NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
279479 | 2krt | 16648 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 23.467 -16.171 6.314 2 H2 MET 1 2H MET 1 24.374 -15.928 4.910 3 H3 MET 1 3H MET 1 23.156 -14.837 5.325 4 HA MET 1 HA MET 1 24.357 -14.158 7.288 5 HB2 MET 1 2HB MET 1 26.455 -16.087 6.263 6 HB3 MET 1 1HB MET 1 26.703 -14.943 7.574 7 HG2 MET 1 2HG MET 1 24.989 -16.066 8.894 8 HG3 MET 1 1HG MET 1 24.711 -17.204 7.575 9 HE1 MET 1 3HE MET 1 25.368 -18.064 10.586 10 HE2 MET 1 1HE MET 1 26.525 -19.370 10.325 11 HE3 MET 1 2HE MET 1 25.098 -19.237 9.298 12 H LEU 2 H LEU 2 24.315 -12.165 6.331 13 HA LEU 2 HA LEU 2 25.013 -10.326 5.198 14 HB2 LEU 2 2HB LEU 2 27.046 -11.033 6.610 15 HB3 LEU 2 1HB LEU 2 27.742 -11.610 5.111 16 HG LEU 2 HG LEU 2 28.522 -9.341 5.860 17 HD11 LEU 2 1HD1 LEU 2 27.148 -9.386 3.172 18 HD12 LEU 2 2HD1 LEU 2 28.746 -10.043 3.524 19 HD13 LEU 2 3HD1 LEU 2 28.458 -8.310 3.665 20 HD21 LEU 2 3HD2 LEU 2 25.716 -8.510 5.120 21 HD22 LEU 2 1HD2 LEU 2 27.050 -7.424 5.515 22 HD23 LEU 2 2HD2 LEU 2 26.408 -8.514 6.744 23 H SER 3 H SER 3 23.956 -10.409 3.231 24 HA SER 3 HA SER 3 25.501 -11.393 0.939 25 HB2 SER 3 2HB SER 3 24.050 -13.282 1.612 26 HB3 SER 3 1HB SER 3 22.634 -12.245 1.436 27 HG SER 3 HG SER 3 22.704 -12.529 -0.649 28 H GLN 4 H GLN 4 25.696 -9.569 -0.231 29 HA GLN 4 HA GLN 4 23.272 -7.974 -0.778 30 HB2 GLN 4 2HB GLN 4 26.199 -7.283 -1.168 31 HB3 GLN 4 1HB GLN 4 24.863 -6.253 -1.660 32 HG2 GLN 4 2HG GLN 4 25.695 -5.408 0.394 33 HG3 GLN 4 1HG GLN 4 24.142 -6.169 0.733 34 HE21 GLN 4 1HE2 GLN 4 24.642 -6.441 2.901 35 HE22 GLN 4 2HE2 GLN 4 25.775 -7.622 3.441 36 H ALA 5 H ALA 5 23.036 -10.222 -2.064 37 HA ALA 5 HA ALA 5 24.301 -10.119 -4.691 38 HB1 ALA 5 3HB ALA 5 22.337 -12.126 -3.579 39 HB2 ALA 5 1HB ALA 5 24.095 -12.269 -3.518 40 HB3 ALA 5 2HB ALA 5 23.264 -12.280 -5.072 41 H ASN 6 H ASN 6 22.949 -10.378 -6.665 42 HA ASN 6 HA ASN 6 21.243 -8.210 -6.980 43 HB2 ASN 6 2HB ASN 6 21.474 -10.692 -8.685 44 HB3 ASN 6 1HB ASN 6 20.624 -9.228 -9.170 45 HD21 ASN 6 1HD2 ASN 6 23.710 -10.636 -8.489 46 HD22 ASN 6 2HD2 ASN 6 24.662 -9.399 -9.225 47 H GLU 7 H GLU 7 20.407 -11.613 -6.450 48 HA GLU 7 HA GLU 7 17.610 -11.362 -6.630 49 HB2 GLU 7 2HB GLU 7 17.530 -13.468 -5.322 50 HB3 GLU 7 1HB GLU 7 18.680 -13.544 -6.651 51 HG2 GLU 7 2HG GLU 7 20.528 -13.212 -5.123 52 HG3 GLU 7 1HG GLU 7 19.410 -13.001 -3.776 53 H ASP 8 H ASP 8 19.812 -10.803 -3.906 54 HA ASP 8 HA ASP 8 17.791 -10.625 -1.923 55 HB2 ASP 8 2HB ASP 8 20.635 -9.598 -1.986 56 HB3 ASP 8 1HB ASP 8 19.591 -9.481 -0.568 57 H PHE 9 H PHE 9 19.395 -8.142 -3.914 58 HA PHE 9 HA PHE 9 18.182 -5.883 -2.810 59 HB2 PHE 9 2HB PHE 9 18.998 -6.434 -5.671 60 HB3 PHE 9 1HB PHE 9 18.485 -4.851 -5.091 61 HD1 PHE 9 HD1 PHE 9 19.789 -3.963 -2.983 62 HD2 PHE 9 HD2 PHE 9 21.267 -6.934 -5.661 63 HE1 PHE 9 HE1 PHE 9 22.090 -3.450 -2.281 64 HE2 PHE 9 HE2 PHE 9 23.566 -6.424 -4.957 65 HZ PHE 9 HZ PHE 9 23.981 -4.682 -3.266 66 H LYS 10 H LYS 10 17.017 -7.827 -5.591 67 HA LYS 10 HA LYS 10 14.544 -6.463 -5.823 68 HB2 LYS 10 2HB LYS 10 13.889 -8.165 -7.358 69 HB3 LYS 10 1HB LYS 10 15.608 -7.894 -7.600 70 HG2 LYS 10 2HG LYS 10 16.094 -9.901 -6.254 71 HG3 LYS 10 1HG LYS 10 14.362 -10.194 -6.099 72 HD2 LYS 10 2HD LYS 10 15.932 -10.123 -8.685 73 HD3 LYS 10 1HD LYS 10 15.342 -11.571 -7.870 74 HE2 LYS 10 2HE LYS 10 13.034 -10.833 -8.198 75 HE3 LYS 10 1HE LYS 10 13.609 -9.357 -8.975 76 HZ1 LYS 10 3HZ LYS 10 14.019 -12.123 -9.975 77 HZ2 LYS 10 1HZ LYS 10 14.610 -10.719 -10.712 78 HZ3 LYS 10 2HZ LYS 10 12.944 -10.981 -10.611 79 H LYS 11 H LYS 11 15.552 -9.275 -3.959 80 HA LYS 11 HA LYS 11 13.062 -10.171 -3.049 81 HB2 LYS 11 2HB LYS 11 15.101 -11.462 -2.760 82 HB3 LYS 11 1HB LYS 11 15.774 -10.238 -1.703 83 HG2 LYS 11 2HG LYS 11 13.205 -11.415 -0.834 84 HG3 LYS 11 1HG LYS 11 14.592 -12.502 -0.837 85 HD2 LYS 11 2HD LYS 11 14.435 -9.833 0.584 86 HD3 LYS 11 1HD LYS 11 14.307 -11.419 1.346 87 HE2 LYS 11 2HE LYS 11 16.728 -10.354 -0.129 88 HE3 LYS 11 1HE LYS 11 16.551 -10.457 1.622 89 HZ1 LYS 11 3HZ LYS 11 17.852 -12.295 0.684 90 HZ2 LYS 11 1HZ LYS 11 16.513 -12.792 -0.222 91 HZ3 LYS 11 2HZ LYS 11 16.458 -12.848 1.467 92 H ILE 12 H ILE 12 15.211 -7.676 -1.703 93 HA ILE 12 HA ILE 12 13.708 -6.987 0.557 94 HB ILE 12 HB ILE 12 15.441 -5.246 -1.216 95 HG12 ILE 12 2HG1 ILE 12 16.007 -6.576 1.454 96 HG13 ILE 12 1HG1 ILE 12 16.600 -7.133 -0.106 97 HG21 ILE 12 1HG2 ILE 12 13.896 -3.825 0.019 98 HG22 ILE 12 2HG2 ILE 12 15.529 -3.657 0.663 99 HG23 ILE 12 3HG2 ILE 12 14.338 -4.628 1.526 100 HD11 ILE 12 3HD1 ILE 12 17.294 -4.525 1.229 101 HD12 ILE 12 1HD1 ILE 12 17.873 -5.051 -0.352 102 HD13 ILE 12 2HD1 ILE 12 18.329 -5.947 1.098 103 H VAL 13 H VAL 13 13.430 -5.884 -2.800 104 HA VAL 13 HA VAL 13 11.420 -3.932 -2.366 105 HB VAL 13 HB VAL 13 12.066 -5.451 -4.906 106 HG11 VAL 13 1HG1 VAL 13 10.568 -2.855 -4.509 107 HG12 VAL 13 2HG1 VAL 13 9.884 -4.384 -5.061 108 HG13 VAL 13 3HG1 VAL 13 11.049 -3.524 -6.069 109 HG21 VAL 13 3HG2 VAL 13 13.442 -3.478 -5.477 110 HG22 VAL 13 1HG2 VAL 13 14.030 -4.309 -4.036 111 HG23 VAL 13 2HG2 VAL 13 13.119 -2.808 -3.878 112 H ASN 14 H ASN 14 11.226 -7.364 -3.293 113 HA ASN 14 HA ASN 14 8.350 -7.264 -3.579 114 HB2 ASN 14 2HB ASN 14 10.338 -9.529 -3.737 115 HB3 ASN 14 1HB ASN 14 8.600 -9.781 -3.875 116 HD21 ASN 14 1HD2 ASN 14 11.421 -8.434 -5.385 117 HD22 ASN 14 2HD2 ASN 14 10.709 -8.162 -6.932 118 H ASN 15 H ASN 15 10.446 -7.665 -0.939 119 HA ASN 15 HA ASN 15 8.345 -8.976 0.659 120 HB2 ASN 15 2HB ASN 15 11.321 -8.722 1.011 121 HB3 ASN 15 1HB ASN 15 10.287 -9.051 2.404 122 HD21 ASN 15 1HD2 ASN 15 11.344 -10.269 -0.710 123 HD22 ASN 15 2HD2 ASN 15 10.905 -11.911 -0.417 124 H ILE 16 H ILE 16 8.383 -6.117 -0.209 125 HA ILE 16 HA ILE 16 8.569 -4.627 2.265 126 HB ILE 16 HB ILE 16 7.386 -3.864 -0.419 127 HG12 ILE 16 2HG1 ILE 16 10.021 -3.102 0.883 128 HG13 ILE 16 1HG1 ILE 16 9.825 -4.225 -0.460 129 HG21 ILE 16 1HG2 ILE 16 7.400 -1.553 0.413 130 HG22 ILE 16 2HG2 ILE 16 7.917 -2.128 1.998 131 HG23 ILE 16 3HG2 ILE 16 6.334 -2.582 1.368 132 HD11 ILE 16 3HD1 ILE 16 10.590 -2.059 -1.228 133 HD12 ILE 16 1HD1 ILE 16 9.181 -1.283 -0.505 134 HD13 ILE 16 2HD1 ILE 16 8.978 -2.404 -1.852 135 H ARG 17 H ARG 17 6.948 -4.277 3.714 136 HA ARG 17 HA ARG 17 4.186 -5.013 3.001 137 HB2 ARG 17 2HB ARG 17 5.577 -6.860 4.231 138 HB3 ARG 17 1HB ARG 17 5.336 -5.856 5.653 139 HG2 ARG 17 2HG ARG 17 3.666 -7.568 5.623 140 HG3 ARG 17 1HG ARG 17 2.882 -6.021 5.290 141 HD2 ARG 17 2HD ARG 17 2.817 -6.520 2.923 142 HD3 ARG 17 1HD ARG 17 3.736 -8.004 3.176 143 HE ARG 17 HE ARG 17 1.410 -8.125 4.729 144 HH11 ARG 17 1HH1 ARG 17 2.349 -8.114 1.411 145 HH12 ARG 17 2HH1 ARG 17 0.985 -9.052 0.913 146 HH21 ARG 17 1HH2 ARG 17 -0.308 -9.366 4.082 147 HH22 ARG 17 2HH2 ARG 17 -0.497 -9.772 2.407 148 H LEU 18 H LEU 18 2.553 -4.016 4.300 149 HA LEU 18 HA LEU 18 3.214 -1.348 5.055 150 HB2 LEU 18 2HB LEU 18 0.745 -1.247 5.704 151 HB3 LEU 18 1HB LEU 18 1.143 -1.549 4.025 152 HG LEU 18 HG LEU 18 0.677 -3.973 4.382 153 HD11 LEU 18 1HD1 LEU 18 -0.277 -3.090 7.107 154 HD12 LEU 18 2HD1 LEU 18 1.091 -4.151 6.770 155 HD13 LEU 18 3HD1 LEU 18 -0.546 -4.678 6.390 156 HD21 LEU 18 3HD2 LEU 18 -1.755 -3.750 4.464 157 HD22 LEU 18 1HD2 LEU 18 -1.035 -2.484 3.470 158 HD23 LEU 18 2HD2 LEU 18 -1.592 -2.113 5.102 159 H LYS 19 H LYS 19 3.814 -3.966 6.837 160 HA LYS 19 HA LYS 19 3.634 -2.420 9.335 161 HB2 LYS 19 2HB LYS 19 1.849 -4.096 9.399 162 HB3 LYS 19 1HB LYS 19 3.001 -5.372 9.040 163 HG2 LYS 19 2HG LYS 19 4.085 -5.076 11.170 164 HG3 LYS 19 1HG LYS 19 3.100 -3.652 11.514 165 HD2 LYS 19 2HD LYS 19 2.238 -5.570 12.731 166 HD3 LYS 19 1HD LYS 19 1.080 -5.063 11.504 167 HE2 LYS 19 2HE LYS 19 1.202 -7.460 11.494 168 HE3 LYS 19 1HE LYS 19 1.952 -6.859 10.016 169 HZ1 LYS 19 3HZ LYS 19 4.118 -7.195 11.009 170 HZ2 LYS 19 1HZ LYS 19 3.235 -8.635 11.052 171 HZ3 LYS 19 2HZ LYS 19 3.415 -7.713 12.456 172 H ASP 20 H ASP 20 5.121 -5.185 7.683 173 HA ASP 20 HA ASP 20 7.374 -5.409 9.366 174 HB2 ASP 20 2HB ASP 20 6.743 -7.261 7.983 175 HB3 ASP 20 1HB ASP 20 6.881 -6.293 6.517 176 H THR 21 H THR 21 6.820 -3.470 6.440 177 HA THR 21 HA THR 21 9.671 -2.687 6.485 178 HB THR 21 HB THR 21 7.796 -2.634 4.115 179 HG1 THR 21 HG1 THR 21 8.817 -4.730 5.185 180 HG21 THR 21 3HG2 THR 21 10.785 -2.187 4.298 181 HG22 THR 21 1HG2 THR 21 9.572 -0.957 3.940 182 HG23 THR 21 2HG2 THR 21 9.853 -2.276 2.804 183 H PHE 22 H PHE 22 6.384 -1.334 6.032 184 HA PHE 22 HA PHE 22 7.417 1.218 6.973 185 HB2 PHE 22 2HB PHE 22 6.652 2.535 5.112 186 HB3 PHE 22 1HB PHE 22 7.709 1.273 4.493 187 HD1 PHE 22 HD1 PHE 22 6.586 -0.824 3.506 188 HD2 PHE 22 HD2 PHE 22 4.518 2.831 4.233 189 HE1 PHE 22 HE1 PHE 22 4.831 -1.501 1.922 190 HE2 PHE 22 HE2 PHE 22 2.762 2.152 2.654 191 HZ PHE 22 HZ PHE 22 2.916 -0.018 1.494 192 H ASP 23 H ASP 23 6.057 2.100 8.368 193 HA ASP 23 HA ASP 23 3.244 1.297 8.442 194 HB2 ASP 23 2HB ASP 23 4.541 1.319 10.544 195 HB3 ASP 23 1HB ASP 23 4.871 3.033 10.330 196 H PHE 24 H PHE 24 1.961 2.418 7.056 197 HA PHE 24 HA PHE 24 2.709 5.127 6.279 198 HB2 PHE 24 2HB PHE 24 1.115 4.903 4.472 199 HB3 PHE 24 1HB PHE 24 2.136 3.473 4.533 200 HD1 PHE 24 HD1 PHE 24 1.181 1.383 5.684 201 HD2 PHE 24 HD2 PHE 24 -1.210 4.702 4.479 202 HE1 PHE 24 HE1 PHE 24 -0.819 -0.046 5.714 203 HE2 PHE 24 HE2 PHE 24 -3.214 3.272 4.514 204 HZ PHE 24 HZ PHE 24 -3.017 0.895 5.131 205 H LYS 25 H LYS 25 0.962 6.767 5.964 206 HA LYS 25 HA LYS 25 -1.281 6.605 7.817 207 HB2 LYS 25 2HB LYS 25 0.562 7.395 9.226 208 HB3 LYS 25 1HB LYS 25 0.884 8.706 8.098 209 HG2 LYS 25 2HG LYS 25 -1.163 9.792 8.643 210 HG3 LYS 25 1HG LYS 25 -1.740 8.391 9.548 211 HD2 LYS 25 2HD LYS 25 -0.985 10.127 11.073 212 HD3 LYS 25 1HD LYS 25 0.062 8.714 11.188 213 HE2 LYS 25 2HE LYS 25 1.437 10.679 11.214 214 HE3 LYS 25 1HE LYS 25 1.674 9.863 9.670 215 HZ1 LYS 25 3HZ LYS 25 0.168 11.449 8.643 216 HZ2 LYS 25 1HZ LYS 25 1.452 12.250 9.396 217 HZ3 LYS 25 2HZ LYS 25 -0.072 12.220 10.125 218 H LEU 26 H LEU 26 -3.019 7.727 7.119 219 HA LEU 26 HA LEU 26 -2.805 9.072 4.544 220 HB2 LEU 26 2HB LEU 26 -5.227 8.263 6.165 221 HB3 LEU 26 1HB LEU 26 -5.298 9.029 4.590 222 HG LEU 26 HG LEU 26 -5.669 6.734 4.189 223 HD11 LEU 26 1HD1 LEU 26 -3.761 6.017 2.847 224 HD12 LEU 26 2HD1 LEU 26 -2.753 7.248 3.608 225 HD13 LEU 26 3HD1 LEU 26 -4.120 7.726 2.600 226 HD21 LEU 26 3HD2 LEU 26 -3.266 6.115 5.906 227 HD22 LEU 26 1HD2 LEU 26 -4.227 4.933 5.014 228 HD23 LEU 26 2HD2 LEU 26 -4.956 5.846 6.335 229 H ALA 27 H ALA 27 -3.257 11.188 4.128 230 HA ALA 27 HA ALA 27 -2.818 13.150 6.023 231 HB1 ALA 27 3HB ALA 27 -4.383 13.453 3.463 232 HB2 ALA 27 1HB ALA 27 -2.626 13.487 3.607 233 HB3 ALA 27 2HB ALA 27 -3.597 14.747 4.366 234 H ALA 28 H ALA 28 -5.990 11.862 5.006 235 HA ALA 28 HA ALA 28 -7.384 13.754 6.729 236 HB1 ALA 28 3HB ALA 28 -8.503 11.454 5.125 237 HB2 ALA 28 1HB ALA 28 -8.360 13.121 4.567 238 HB3 ALA 28 2HB ALA 28 -9.430 12.731 5.913 239 H PHE 29 H PHE 29 -5.953 10.698 7.081 240 HA PHE 29 HA PHE 29 -7.426 10.241 9.601 241 HB2 PHE 29 2HB PHE 29 -6.269 8.121 7.772 242 HB3 PHE 29 1HB PHE 29 -7.072 7.823 9.308 243 HD1 PHE 29 HD1 PHE 29 -9.526 8.493 9.524 244 HD2 PHE 29 HD2 PHE 29 -7.504 8.242 5.779 245 HE1 PHE 29 HE1 PHE 29 -11.691 8.328 8.367 246 HE2 PHE 29 HE2 PHE 29 -9.669 8.085 4.621 247 HZ PHE 29 HZ PHE 29 -11.764 8.127 5.914 248 HA PRO 30 HA PRO 30 -2.966 10.904 10.601 249 HB2 PRO 30 2HB PRO 30 -3.329 12.365 12.841 250 HB3 PRO 30 1HB PRO 30 -3.471 13.070 11.221 251 HG2 PRO 30 2HG PRO 30 -5.645 12.122 13.071 252 HG3 PRO 30 1HG PRO 30 -5.558 13.624 12.131 253 HD2 PRO 30 2HD PRO 30 -6.975 11.452 11.306 254 HD3 PRO 30 1HD PRO 30 -6.211 12.587 10.173 255 H ASN 31 H ASN 31 -5.601 9.611 12.488 256 HA ASN 31 HA ASN 31 -3.691 8.001 14.078 257 HB2 ASN 31 2HB ASN 31 -6.510 8.927 14.654 258 HB3 ASN 31 1HB ASN 31 -5.808 7.557 15.507 259 HD21 ASN 31 1HD2 ASN 31 -3.877 10.309 14.546 260 HD22 ASN 31 2HD2 ASN 31 -3.631 10.917 16.139 261 H GLN 32 H GLN 32 -4.257 7.363 11.392 262 HA GLN 32 HA GLN 32 -6.427 5.570 11.117 263 HB2 GLN 32 2HB GLN 32 -5.437 4.974 8.951 264 HB3 GLN 32 1HB GLN 32 -5.524 6.708 9.191 265 HG2 GLN 32 2HG GLN 32 -3.444 6.556 8.291 266 HG3 GLN 32 1HG GLN 32 -3.033 6.404 9.995 267 HE21 GLN 32 1HE2 GLN 32 -2.207 4.461 10.736 268 HE22 GLN 32 2HE2 GLN 32 -1.757 3.176 9.677 269 H ASN 33 H ASN 33 -6.541 3.377 11.022 270 HA ASN 33 HA ASN 33 -4.132 1.804 11.638 271 HB2 ASN 33 2HB ASN 33 -6.902 1.344 12.790 272 HB3 ASN 33 1HB ASN 33 -5.530 0.259 12.992 273 HD21 ASN 33 1HD2 ASN 33 -6.998 3.211 13.983 274 HD22 ASN 33 2HD2 ASN 33 -5.894 3.569 15.261 275 H TYR 34 H TYR 34 -3.709 0.652 9.860 276 HA TYR 34 HA TYR 34 -5.511 0.290 7.737 277 HB2 TYR 34 2HB TYR 34 -3.761 -1.342 6.872 278 HB3 TYR 34 1HB TYR 34 -3.208 0.293 7.208 279 HD1 TYR 34 HD1 TYR 34 -3.255 -3.167 8.570 280 HD2 TYR 34 HD2 TYR 34 -1.450 0.688 8.742 281 HE1 TYR 34 HE1 TYR 34 -1.489 -4.061 10.028 282 HE2 TYR 34 HE2 TYR 34 0.317 -0.201 10.202 283 HH TYR 34 HH TYR 34 0.774 -1.997 11.650 284 H ASP 35 H ASP 35 -5.326 -1.459 10.635 285 HA ASP 35 HA ASP 35 -6.386 -3.935 9.560 286 HB2 ASP 35 2HB ASP 35 -6.467 -4.632 11.953 287 HB3 ASP 35 1HB ASP 35 -4.874 -4.088 11.435 288 H GLN 36 H GLN 36 -7.852 -1.090 9.762 289 HA GLN 36 HA GLN 36 -10.458 -2.337 10.189 290 HB2 GLN 36 2HB GLN 36 -11.256 -0.530 11.663 291 HB3 GLN 36 1HB GLN 36 -9.967 -1.478 12.391 292 HG2 GLN 36 2HG GLN 36 -8.363 0.289 11.892 293 HG3 GLN 36 1HG GLN 36 -9.630 1.227 11.101 294 HE21 GLN 36 1HE2 GLN 36 -9.322 2.949 12.527 295 HE22 GLN 36 2HE2 GLN 36 -9.863 2.891 14.165 296 H LEU 37 H LEU 37 -8.625 0.445 9.005 297 HA LEU 37 HA LEU 37 -10.756 1.879 7.870 298 HB2 LEU 37 2HB LEU 37 -7.812 1.798 7.411 299 HB3 LEU 37 1HB LEU 37 -8.800 2.578 6.193 300 HG LEU 37 HG LEU 37 -7.897 4.203 7.779 301 HD11 LEU 37 1HD1 LEU 37 -10.037 4.686 6.726 302 HD12 LEU 37 2HD1 LEU 37 -9.992 5.335 8.365 303 HD13 LEU 37 3HD1 LEU 37 -10.887 3.852 8.028 304 HD21 LEU 37 3HD2 LEU 37 -8.624 4.239 10.107 305 HD22 LEU 37 1HD2 LEU 37 -7.728 2.765 9.747 306 HD23 LEU 37 2HD2 LEU 37 -9.487 2.717 9.874 307 H LEU 38 H LEU 38 -12.006 1.566 6.153 308 HA LEU 38 HA LEU 38 -11.861 -0.821 4.611 309 HB2 LEU 38 2HB LEU 38 -13.556 1.649 4.215 310 HB3 LEU 38 1HB LEU 38 -13.787 0.126 3.375 311 HG LEU 38 HG LEU 38 -14.088 0.570 6.352 312 HD11 LEU 38 1HD1 LEU 38 -16.155 0.060 4.212 313 HD12 LEU 38 2HD1 LEU 38 -15.905 1.568 5.093 314 HD13 LEU 38 3HD1 LEU 38 -16.466 0.132 5.946 315 HD21 LEU 38 3HD2 LEU 38 -14.517 -1.928 4.704 316 HD22 LEU 38 1HD2 LEU 38 -14.942 -1.739 6.407 317 HD23 LEU 38 2HD2 LEU 38 -13.253 -1.670 5.906 318 HA PRO 39 HA PRO 39 -9.108 0.035 1.300 319 HB2 PRO 39 2HB PRO 39 -10.734 -0.874 -0.827 320 HB3 PRO 39 1HB PRO 39 -9.575 -1.826 0.101 321 HG2 PRO 39 2HG PRO 39 -12.530 -1.587 0.435 322 HG3 PRO 39 1HG PRO 39 -11.483 -3.002 0.661 323 HD2 PRO 39 2HD PRO 39 -12.452 -1.676 2.763 324 HD3 PRO 39 1HD PRO 39 -10.783 -2.292 2.778 325 H SER 40 H SER 40 -12.423 0.718 0.086 326 HA SER 40 HA SER 40 -11.686 2.732 -1.705 327 HB2 SER 40 2HB SER 40 -13.877 1.684 -1.827 328 HB3 SER 40 1HB SER 40 -14.327 2.369 -0.266 329 HG SER 40 HG SER 40 -14.605 3.460 -2.666 330 H GLN 41 H GLN 41 -12.218 2.940 1.747 331 HA GLN 41 HA GLN 41 -12.463 5.799 1.830 332 HB2 GLN 41 2HB GLN 41 -11.875 3.802 4.025 333 HB3 GLN 41 1HB GLN 41 -12.209 5.511 4.286 334 HG2 GLN 41 2HG GLN 41 -14.099 3.499 3.072 335 HG3 GLN 41 1HG GLN 41 -14.185 4.162 4.705 336 HE21 GLN 41 1HE2 GLN 41 -14.922 6.251 4.999 337 HE22 GLN 41 2HE2 GLN 41 -15.696 7.153 3.745 338 H ILE 42 H ILE 42 -9.801 3.511 2.429 339 HA ILE 42 HA ILE 42 -7.833 5.423 3.101 340 HB ILE 42 HB ILE 42 -7.464 2.755 1.712 341 HG12 ILE 42 2HG1 ILE 42 -7.334 3.478 4.659 342 HG13 ILE 42 1HG1 ILE 42 -8.630 2.573 3.884 343 HG21 ILE 42 1HG2 ILE 42 -5.163 2.844 2.580 344 HG22 ILE 42 2HG2 ILE 42 -5.463 4.470 3.195 345 HG23 ILE 42 3HG2 ILE 42 -5.495 4.165 1.459 346 HD11 ILE 42 3HD1 ILE 42 -5.765 1.698 4.176 347 HD12 ILE 42 1HD1 ILE 42 -7.023 0.798 3.328 348 HD13 ILE 42 2HD1 ILE 42 -7.158 1.082 5.064 349 H TYR 43 H TYR 43 -8.825 4.062 -0.018 350 HA TYR 43 HA TYR 43 -6.924 5.194 -1.692 351 HB2 TYR 43 2HB TYR 43 -8.527 3.497 -2.428 352 HB3 TYR 43 1HB TYR 43 -9.847 4.652 -2.270 353 HD1 TYR 43 HD1 TYR 43 -6.644 4.093 -4.100 354 HD2 TYR 43 HD2 TYR 43 -10.475 5.959 -4.114 355 HE1 TYR 43 HE1 TYR 43 -6.290 4.794 -6.430 356 HE2 TYR 43 HE2 TYR 43 -10.127 6.663 -6.442 357 HH TYR 43 HH TYR 43 -7.619 5.426 -8.382 358 H LYS 44 H LYS 44 -9.677 6.737 -0.173 359 HA LYS 44 HA LYS 44 -9.993 8.933 -1.918 360 HB2 LYS 44 2HB LYS 44 -10.565 8.801 1.050 361 HB3 LYS 44 1HB LYS 44 -11.186 10.014 -0.057 362 HG2 LYS 44 2HG LYS 44 -11.838 7.070 -0.054 363 HG3 LYS 44 1HG LYS 44 -12.897 8.393 0.438 364 HD2 LYS 44 2HD LYS 44 -12.631 9.276 -1.944 365 HD3 LYS 44 1HD LYS 44 -11.924 7.706 -2.331 366 HE2 LYS 44 2HE LYS 44 -14.703 8.236 -1.270 367 HE3 LYS 44 1HE LYS 44 -14.274 7.693 -2.891 368 HZ1 LYS 44 3HZ LYS 44 -13.362 5.655 -1.857 369 HZ2 LYS 44 1HZ LYS 44 -15.027 5.834 -1.632 370 HZ3 LYS 44 2HZ LYS 44 -13.960 6.169 -0.365 371 H ASN 45 H ASN 45 -7.298 8.256 -0.035 372 HA ASN 45 HA ASN 45 -6.754 11.086 0.613 373 HB2 ASN 45 2HB ASN 45 -5.533 8.568 1.751 374 HB3 ASN 45 1HB ASN 45 -5.132 10.208 2.249 375 HD21 ASN 45 1HD2 ASN 45 -7.558 7.723 2.276 376 HD22 ASN 45 2HD2 ASN 45 -8.525 8.416 3.525 377 H TYR 46 H TYR 46 -5.863 8.911 -1.771 378 HA TYR 46 HA TYR 46 -3.053 9.009 -1.670 379 HB2 TYR 46 2HB TYR 46 -3.025 8.108 -3.889 380 HB3 TYR 46 1HB TYR 46 -4.331 7.353 -2.993 381 HD1 TYR 46 HD1 TYR 46 -6.523 9.336 -3.300 382 HD2 TYR 46 HD2 TYR 46 -3.631 7.978 -6.119 383 HE1 TYR 46 HE1 TYR 46 -8.083 9.826 -5.135 384 HE2 TYR 46 HE2 TYR 46 -5.184 8.471 -7.956 385 HH TYR 46 HH TYR 46 -7.619 8.686 -8.290 386 H TYR 47 H TYR 47 -5.317 11.342 -2.977 387 HA TYR 47 HA TYR 47 -3.178 12.931 -4.163 388 HB2 TYR 47 2HB TYR 47 -5.270 12.975 -5.350 389 HB3 TYR 47 1HB TYR 47 -6.157 13.404 -3.892 390 HD1 TYR 47 HD1 TYR 47 -3.683 14.675 -6.361 391 HD2 TYR 47 HD2 TYR 47 -6.417 15.685 -3.249 392 HE1 TYR 47 HE1 TYR 47 -3.415 17.059 -6.902 393 HE2 TYR 47 HE2 TYR 47 -6.157 18.070 -3.789 394 HH TYR 47 HH TYR 47 -4.639 19.165 -6.634 395 H GLN 48 H GLN 48 -5.055 12.807 -1.221 396 HA GLN 48 HA GLN 48 -4.484 15.457 -0.318 397 HB2 GLN 48 2HB GLN 48 -5.405 13.019 1.223 398 HB3 GLN 48 1HB GLN 48 -5.363 14.658 1.865 399 HG2 GLN 48 2HG GLN 48 -7.003 13.777 -0.510 400 HG3 GLN 48 1HG GLN 48 -7.611 13.956 1.135 401 HE21 GLN 48 1HE2 GLN 48 -8.297 15.340 -1.402 402 HE22 GLN 48 2HE2 GLN 48 -8.128 17.023 -1.055 403 H GLY 49 H GLY 49 -2.820 12.381 0.026 404 HA2 GLY 49 2HA GLY 49 -0.328 12.856 0.247 405 HA3 GLY 49 1HA GLY 49 -0.779 13.725 1.705 406 H ILE 50 H ILE 50 0.951 11.343 1.209 407 HA ILE 50 HA ILE 50 -0.225 9.594 3.268 408 HB ILE 50 HB ILE 50 1.197 8.591 0.782 409 HG12 ILE 50 2HG1 ILE 50 -1.707 8.299 1.631 410 HG13 ILE 50 1HG1 ILE 50 -1.120 9.322 0.323 411 HG21 ILE 50 1HG2 ILE 50 0.003 7.066 3.106 412 HG22 ILE 50 2HG2 ILE 50 1.722 7.243 2.747 413 HG23 ILE 50 3HG2 ILE 50 0.681 6.346 1.644 414 HD11 ILE 50 3HD1 ILE 50 -0.976 6.316 0.427 415 HD12 ILE 50 1HD1 ILE 50 -0.355 7.328 -0.878 416 HD13 ILE 50 2HD1 ILE 50 -2.087 7.283 -0.542 417 H GLU 51 H GLU 51 1.147 9.261 4.915 418 HA GLU 51 HA GLU 51 3.924 10.168 4.664 419 HB2 GLU 51 2HB GLU 51 2.469 9.345 7.186 420 HB3 GLU 51 1HB GLU 51 3.943 10.295 7.064 421 HG2 GLU 51 2HG GLU 51 1.179 11.158 6.220 422 HG3 GLU 51 1HG GLU 51 2.052 11.698 7.650 423 H ILE 52 H ILE 52 5.672 8.800 4.825 424 HA ILE 52 HA ILE 52 5.098 5.917 5.179 425 HB ILE 52 HB ILE 52 7.382 7.223 3.676 426 HG12 ILE 52 2HG1 ILE 52 5.294 7.453 2.438 427 HG13 ILE 52 1HG1 ILE 52 6.304 6.244 1.658 428 HG21 ILE 52 1HG2 ILE 52 7.959 4.958 2.935 429 HG22 ILE 52 2HG2 ILE 52 6.689 4.295 3.963 430 HG23 ILE 52 3HG2 ILE 52 8.073 5.114 4.687 431 HD11 ILE 52 3HD1 ILE 52 3.942 5.697 3.446 432 HD12 ILE 52 1HD1 ILE 52 4.969 4.472 2.699 433 HD13 ILE 52 2HD1 ILE 52 3.995 5.541 1.690 434 H GLN 53 H GLN 53 5.686 5.196 7.159 435 HA GLN 53 HA GLN 53 8.073 6.239 8.501 436 HB2 GLN 53 2HB GLN 53 5.986 5.776 9.788 437 HB3 GLN 53 1HB GLN 53 6.142 4.075 9.383 438 HG2 GLN 53 2HG GLN 53 6.954 4.330 11.587 439 HG3 GLN 53 1HG GLN 53 8.358 4.085 10.554 440 HE21 GLN 53 1HE2 GLN 53 6.608 6.356 12.518 441 HE22 GLN 53 2HE2 GLN 53 7.863 7.546 12.604 442 H GLN 54 H GLN 54 10.005 5.396 7.893 443 HA GLN 54 HA GLN 54 10.129 2.969 6.362 444 HB2 GLN 54 2HB GLN 54 12.593 3.489 6.244 445 HB3 GLN 54 1HB GLN 54 11.515 4.720 5.614 446 HG2 GLN 54 2HG GLN 54 13.180 5.884 6.783 447 HG3 GLN 54 1HG GLN 54 11.769 5.909 7.836 448 HE21 GLN 54 1HE2 GLN 54 13.054 6.295 9.644 449 HE22 GLN 54 2HE2 GLN 54 14.028 5.062 10.359 450 H HIS 55 H HIS 55 11.441 1.132 6.731 451 HA HIS 55 HA HIS 55 12.419 0.662 9.454 452 HB2 HIS 55 2HB HIS 55 10.139 -0.225 9.453 453 HB3 HIS 55 1HB HIS 55 10.486 -1.185 8.021 454 HD1 HIS 55 HD1 HIS 55 10.698 -1.236 11.701 455 HD2 HIS 55 HD2 HIS 55 12.246 -3.422 8.518 456 HE1 HIS 55 HE1 HIS 55 11.573 -3.364 12.701 457 HE2 HIS 55 HE2 HIS 55 12.342 -4.734 10.739 458 H LYS 56 H LYS 56 12.615 -0.026 6.030 459 HA LYS 56 HA LYS 56 14.706 -2.053 6.497 460 HB2 LYS 56 2HB LYS 56 12.882 -1.491 4.192 461 HB3 LYS 56 1HB LYS 56 14.448 -2.211 3.857 462 HG2 LYS 56 2HG LYS 56 13.817 -3.995 5.575 463 HG3 LYS 56 1HG LYS 56 12.173 -3.355 5.453 464 HD2 LYS 56 2HD LYS 56 12.133 -3.798 3.070 465 HD3 LYS 56 1HD LYS 56 13.825 -4.296 3.100 466 HE2 LYS 56 2HE LYS 56 12.438 -6.259 3.003 467 HE3 LYS 56 1HE LYS 56 13.188 -6.180 4.596 468 HZ1 LYS 56 3HZ LYS 56 11.132 -5.313 5.493 469 HZ2 LYS 56 1HZ LYS 56 10.846 -6.781 4.714 470 HZ3 LYS 56 2HZ LYS 56 10.413 -5.331 3.965 471 H TYR 57 H TYR 57 16.283 -2.001 4.420 472 HA TYR 57 HA TYR 57 17.953 0.267 4.639 473 HB2 TYR 57 2HB TYR 57 17.832 -2.104 2.796 474 HB3 TYR 57 1HB TYR 57 18.948 -0.788 2.445 475 HD1 TYR 57 HD2 TYR 57 17.992 -2.296 5.737 476 HD2 TYR 57 HD1 TYR 57 21.073 -1.646 2.867 477 HE1 TYR 57 HE2 TYR 57 19.634 -3.259 7.289 478 HE2 TYR 57 HE1 TYR 57 22.722 -2.611 4.417 479 HH TYR 57 HH TYR 57 23.011 -3.006 6.780 480 H GLN 58 H GLN 58 16.253 1.945 4.238 481 HA GLN 58 HA GLN 58 15.162 2.210 1.599 482 HB2 GLN 58 2HB GLN 58 15.230 4.242 3.835 483 HB3 GLN 58 1HB GLN 58 14.211 4.313 2.401 484 HG2 GLN 58 2HG GLN 58 14.058 2.385 4.708 485 HG3 GLN 58 1HG GLN 58 12.858 3.567 4.201 486 HE21 GLN 58 1HE2 GLN 58 13.196 2.811 1.337 487 HE22 GLN 58 2HE2 GLN 58 12.368 1.307 1.181 488 H ASN 59 H ASN 59 18.196 2.919 2.858 489 HA ASN 59 HA ASN 59 18.890 5.160 1.216 490 HB2 ASN 59 2HB ASN 59 20.623 3.023 2.483 491 HB3 ASN 59 1HB ASN 59 21.240 4.473 1.705 492 HD21 ASN 59 1HD2 ASN 59 19.739 3.150 4.492 493 HD22 ASN 59 2HD2 ASN 59 19.788 4.576 5.466 494 H GLU 60 H GLU 60 18.189 1.974 0.513 495 HA GLU 60 HA GLU 60 19.795 1.905 -1.947 496 HB2 GLU 60 2HB GLU 60 19.981 0.002 -0.424 497 HB3 GLU 60 1HB GLU 60 18.243 -0.251 -0.490 498 HG2 GLU 60 2HG GLU 60 19.282 -1.889 -1.871 499 HG3 GLU 60 1HG GLU 60 18.460 -0.739 -2.921 500 H LEU 61 H LEU 61 16.468 1.645 -0.749 501 HA LEU 61 HA LEU 61 15.478 2.309 -3.440 502 HB2 LEU 61 2HB LEU 61 13.581 0.773 -3.156 503 HB3 LEU 61 1HB LEU 61 15.117 -0.070 -3.205 504 HG LEU 61 HG LEU 61 13.763 0.572 -0.581 505 HD11 LEU 61 1HD1 LEU 61 12.149 -0.679 -1.895 506 HD12 LEU 61 2HD1 LEU 61 12.813 -1.686 -0.611 507 HD13 LEU 61 3HD1 LEU 61 13.369 -1.899 -2.272 508 HD21 LEU 61 3HD2 LEU 61 16.121 -0.086 -0.480 509 HD22 LEU 61 1HD2 LEU 61 15.754 -1.559 -1.376 510 HD23 LEU 61 2HD2 LEU 61 15.082 -1.315 0.236 511 H ASP 62 H ASP 62 13.956 3.887 -3.494 512 HA ASP 62 HA ASP 62 13.100 5.061 -0.959 513 HB2 ASP 62 2HB ASP 62 14.048 6.466 -2.802 514 HB3 ASP 62 1HB ASP 62 12.642 6.064 -3.782 515 H ILE 63 H ILE 63 11.080 4.877 -0.132 516 HA ILE 63 HA ILE 63 9.102 3.320 -1.639 517 HB ILE 63 HB ILE 63 9.229 4.079 1.285 518 HG12 ILE 63 2HG1 ILE 63 9.461 1.413 -0.148 519 HG13 ILE 63 1HG1 ILE 63 10.780 2.299 0.612 520 HG21 ILE 63 1HG2 ILE 63 7.232 2.652 1.589 521 HG22 ILE 63 2HG2 ILE 63 7.084 2.516 -0.163 522 HG23 ILE 63 3HG2 ILE 63 6.897 4.085 0.619 523 HD11 ILE 63 3HD1 ILE 63 9.684 2.002 2.795 524 HD12 ILE 63 1HD1 ILE 63 10.072 0.468 2.013 525 HD13 ILE 63 2HD1 ILE 63 8.413 1.065 2.009 526 H LYS 64 H LYS 64 7.816 4.511 -2.903 527 HA LYS 64 HA LYS 64 6.367 6.787 -1.684 528 HB2 LYS 64 2HB LYS 64 7.339 6.569 -4.554 529 HB3 LYS 64 1HB LYS 64 6.340 7.868 -3.917 530 HG2 LYS 64 2HG LYS 64 8.114 8.652 -2.525 531 HG3 LYS 64 1HG LYS 64 9.100 7.235 -2.893 532 HD2 LYS 64 2HD LYS 64 9.830 9.229 -4.151 533 HD3 LYS 64 1HD LYS 64 9.295 7.928 -5.215 534 HE2 LYS 64 2HE LYS 64 8.451 10.071 -5.997 535 HE3 LYS 64 1HE LYS 64 7.119 9.042 -5.469 536 HZ1 LYS 64 3HZ LYS 64 6.817 11.280 -4.679 537 HZ2 LYS 64 1HZ LYS 64 8.332 11.270 -3.929 538 HZ3 LYS 64 2HZ LYS 64 7.097 10.259 -3.364 539 H ILE 65 H ILE 65 4.210 6.363 -1.621 540 HA ILE 65 HA ILE 65 3.107 4.182 -3.199 541 HB ILE 65 HB ILE 65 1.764 5.967 -1.154 542 HG12 ILE 65 2HG1 ILE 65 2.834 3.132 -0.950 543 HG13 ILE 65 1HG1 ILE 65 3.510 4.556 -0.165 544 HG21 ILE 65 1HG2 ILE 65 -0.061 4.336 -1.178 545 HG22 ILE 65 2HG2 ILE 65 0.752 3.432 -2.456 546 HG23 ILE 65 3HG2 ILE 65 0.159 5.063 -2.771 547 HD11 ILE 65 3HD1 ILE 65 2.245 3.209 1.401 548 HD12 ILE 65 1HD1 ILE 65 0.806 3.349 0.390 549 HD13 ILE 65 2HD1 ILE 65 1.479 4.780 1.172 550 H ILE 66 H ILE 66 2.133 4.421 -5.084 551 HA ILE 66 HA ILE 66 1.512 7.036 -6.167 552 HB ILE 66 HB ILE 66 1.052 4.316 -7.418 553 HG12 ILE 66 2HG1 ILE 66 3.434 6.170 -7.737 554 HG13 ILE 66 1HG1 ILE 66 3.434 4.679 -6.799 555 HG21 ILE 66 1HG2 ILE 66 1.218 7.077 -8.642 556 HG22 ILE 66 2HG2 ILE 66 -0.229 6.077 -8.495 557 HG23 ILE 66 3HG2 ILE 66 1.092 5.568 -9.547 558 HD11 ILE 66 3HD1 ILE 66 4.471 4.349 -8.962 559 HD12 ILE 66 1HD1 ILE 66 3.003 4.899 -9.773 560 HD13 ILE 66 2HD1 ILE 66 2.988 3.403 -8.839 561 H ASN 67 H ASN 67 -0.326 4.011 -5.666 562 HA ASN 67 HA ASN 67 -2.654 5.302 -4.717 563 HB2 ASN 67 2HB ASN 67 -4.191 4.946 -6.582 564 HB3 ASN 67 1HB ASN 67 -2.882 6.010 -7.072 565 HD21 ASN 67 1HD2 ASN 67 -0.953 3.866 -7.433 566 HD22 ASN 67 2HD2 ASN 67 -1.423 3.032 -8.866 567 H PHE 68 H PHE 68 -4.632 3.667 -4.926 568 HA PHE 68 HA PHE 68 -3.578 1.017 -4.143 569 HB2 PHE 68 2HB PHE 68 -6.153 2.345 -3.241 570 HB3 PHE 68 1HB PHE 68 -5.503 0.820 -2.651 571 HD1 PHE 68 HD2 PHE 68 -3.608 0.781 -1.114 572 HD2 PHE 68 HD1 PHE 68 -5.209 4.464 -2.540 573 HE1 PHE 68 HE2 PHE 68 -2.379 1.994 0.639 574 HE2 PHE 68 HE1 PHE 68 -3.981 5.677 -0.789 575 HZ PHE 68 HZ PHE 68 -2.564 4.446 0.805 576 H LEU 69 H LEU 69 -4.191 -0.712 -5.322 577 HA LEU 69 HA LEU 69 -6.497 -0.417 -7.158 578 HB2 LEU 69 2HB LEU 69 -3.964 -2.007 -7.632 579 HB3 LEU 69 1HB LEU 69 -5.344 -1.951 -8.709 580 HG LEU 69 HG LEU 69 -4.891 0.576 -8.884 581 HD11 LEU 69 1HD1 LEU 69 -2.225 -0.297 -7.768 582 HD12 LEU 69 2HD1 LEU 69 -3.377 0.781 -6.980 583 HD13 LEU 69 3HD1 LEU 69 -2.588 1.278 -8.476 584 HD21 LEU 69 3HD2 LEU 69 -4.473 -0.990 -10.704 585 HD22 LEU 69 1HD2 LEU 69 -2.897 -1.391 -10.017 586 HD23 LEU 69 2HD2 LEU 69 -3.205 0.233 -10.632 587 H TYR 70 H TYR 70 -7.494 -2.497 -7.835 588 HA TYR 70 HA TYR 70 -7.625 -4.411 -5.610 589 HB2 TYR 70 2HB TYR 70 -9.415 -4.066 -8.037 590 HB3 TYR 70 1HB TYR 70 -9.660 -5.264 -6.772 591 HD1 TYR 70 HD1 TYR 70 -9.199 -3.766 -4.317 592 HD2 TYR 70 HD2 TYR 70 -11.184 -2.556 -7.887 593 HE1 TYR 70 HE1 TYR 70 -10.546 -2.169 -3.023 594 HE2 TYR 70 HE2 TYR 70 -12.524 -0.946 -6.597 595 HH TYR 70 HH TYR 70 -11.788 0.007 -3.506 596 HA PRO 71 HA PRO 71 -5.653 -7.646 -8.079 597 HB2 PRO 71 2HB PRO 71 -7.109 -9.866 -7.504 598 HB3 PRO 71 1HB PRO 71 -6.006 -9.123 -6.339 599 HG2 PRO 71 2HG PRO 71 -8.986 -8.845 -6.561 600 HG3 PRO 71 1HG PRO 71 -7.995 -9.101 -5.112 601 HD2 PRO 71 2HD PRO 71 -8.942 -6.659 -5.818 602 HD3 PRO 71 1HD PRO 71 -7.392 -6.873 -4.979 603 H ASP 72 H ASP 72 -6.970 -6.129 -9.800 604 HA ASP 72 HA ASP 72 -8.189 -5.940 -11.714 605 HB2 ASP 72 2HB ASP 72 -7.519 -8.886 -11.991 606 HB3 ASP 72 1HB ASP 72 -7.952 -7.790 -13.299 607 H GLY 73 H GLY 73 -9.879 -6.229 -9.548 608 HA2 GLY 73 2HA GLY 73 -12.087 -7.839 -10.661 609 HA3 GLY 73 1HA GLY 73 -11.612 -8.074 -8.988 610 H ASP 74 H ASP 74 -14.115 -7.526 -9.189 611 HA ASP 74 HA ASP 74 -14.820 -4.762 -9.410 612 HB2 ASP 74 2HB ASP 74 -16.368 -7.136 -8.351 613 HB3 ASP 74 1HB ASP 74 -17.055 -5.543 -8.659 614 H PHE 75 H PHE 75 -15.365 -3.295 -7.837 615 HA PHE 75 HA PHE 75 -14.154 -3.356 -5.324 616 HB2 PHE 75 2HB PHE 75 -15.630 -1.408 -4.788 617 HB3 PHE 75 1HB PHE 75 -14.780 -1.256 -6.321 618 HD1 PHE 75 HD1 PHE 75 -15.982 -1.383 -8.434 619 HD2 PHE 75 HD2 PHE 75 -18.041 -1.659 -4.714 620 HE1 PHE 75 HE1 PHE 75 -18.114 -0.978 -9.589 621 HE2 PHE 75 HE2 PHE 75 -20.177 -1.253 -5.867 622 HZ PHE 75 HZ PHE 75 -20.213 -0.914 -8.307 623 H GLY 76 H GLY 76 -17.296 -4.580 -6.320 624 HA2 GLY 76 2HA GLY 76 -18.490 -4.938 -3.800 625 HA3 GLY 76 1HA GLY 76 -18.779 -5.950 -5.208 626 H SER 77 H SER 77 -16.556 -7.297 -5.658 627 HA SER 77 HA SER 77 -16.377 -9.271 -3.687 628 HB2 SER 77 2HB SER 77 -15.771 -9.732 -6.003 629 HB3 SER 77 1HB SER 77 -14.421 -8.603 -5.907 630 HG SER 77 HG SER 77 -13.454 -9.984 -4.360 631 H ALA 78 H ALA 78 -14.555 -6.315 -4.092 632 HA ALA 78 HA ALA 78 -12.242 -6.818 -2.675 633 HB1 ALA 78 3HB ALA 78 -13.835 -4.252 -2.636 634 HB2 ALA 78 1HB ALA 78 -12.676 -4.727 -3.878 635 HB3 ALA 78 2HB ALA 78 -12.127 -4.422 -2.230 636 H ASN 79 H ASN 79 -15.470 -6.327 -1.412 637 HA ASN 79 HA ASN 79 -14.662 -5.932 1.311 638 HB2 ASN 79 2HB ASN 79 -17.356 -6.712 0.171 639 HB3 ASN 79 1HB ASN 79 -17.061 -6.193 1.830 640 HD21 ASN 79 1HD2 ASN 79 -17.303 -5.198 -1.478 641 HD22 ASN 79 2HD2 ASN 79 -17.299 -3.499 -1.174 642 H LYS 80 H LYS 80 -15.352 -8.768 -0.641 643 HA LYS 80 HA LYS 80 -15.688 -10.483 1.663 644 HB2 LYS 80 2HB LYS 80 -16.138 -12.250 0.184 645 HB3 LYS 80 1HB LYS 80 -16.825 -10.835 -0.600 646 HG2 LYS 80 2HG LYS 80 -15.053 -10.737 -2.178 647 HG3 LYS 80 1HG LYS 80 -14.106 -11.934 -1.294 648 HD2 LYS 80 2HD LYS 80 -16.761 -12.445 -2.654 649 HD3 LYS 80 1HD LYS 80 -15.179 -12.898 -3.291 650 HE2 LYS 80 2HE LYS 80 -14.823 -14.333 -1.309 651 HE3 LYS 80 1HE LYS 80 -16.435 -13.909 -0.735 652 HZ1 LYS 80 3HZ LYS 80 -17.380 -14.927 -2.695 653 HZ2 LYS 80 1HZ LYS 80 -16.403 -16.041 -1.881 654 HZ3 LYS 80 2HZ LYS 80 -15.838 -15.299 -3.286 655 H ASN 81 H ASN 81 -13.110 -9.818 -0.694 656 HA ASN 81 HA ASN 81 -11.345 -11.733 0.647 657 HB2 ASN 81 2HB ASN 81 -9.749 -11.279 -1.161 658 HB3 ASN 81 1HB ASN 81 -11.332 -11.698 -1.806 659 HD21 ASN 81 1HD2 ASN 81 -8.948 -9.227 -1.470 660 HD22 ASN 81 2HD2 ASN 81 -9.680 -8.094 -2.548 661 H GLY 82 H GLY 82 -11.745 -8.255 0.302 662 HA2 GLY 82 2HA GLY 82 -10.865 -6.494 1.466 663 HA3 GLY 82 1HA GLY 82 -10.535 -7.652 2.739 664 H THR 83 H THR 83 -9.102 -7.604 -0.505 665 HA THR 83 HA THR 83 -6.491 -6.996 0.751 666 HB THR 83 HB THR 83 -5.360 -8.404 -0.883 667 HG1 THR 83 HG1 THR 83 -6.391 -8.762 -2.684 668 HG21 THR 83 3HG2 THR 83 -7.632 -9.901 0.438 669 HG22 THR 83 1HG2 THR 83 -6.094 -9.479 1.194 670 HG23 THR 83 2HG2 THR 83 -6.131 -10.614 -0.156 671 H LEU 84 H LEU 84 -5.116 -5.602 -0.278 672 HA LEU 84 HA LEU 84 -6.090 -4.298 -2.749 673 HB2 LEU 84 2HB LEU 84 -4.850 -3.030 -0.302 674 HB3 LEU 84 1HB LEU 84 -4.984 -2.201 -1.841 675 HG LEU 84 HG LEU 84 -7.298 -3.182 -0.158 676 HD11 LEU 84 1HD1 LEU 84 -6.277 -0.390 -0.700 677 HD12 LEU 84 2HD1 LEU 84 -6.188 -1.256 0.833 678 HD13 LEU 84 3HD1 LEU 84 -7.755 -0.790 0.176 679 HD21 LEU 84 3HD2 LEU 84 -7.833 -3.301 -2.528 680 HD22 LEU 84 1HD2 LEU 84 -7.274 -1.644 -2.759 681 HD23 LEU 84 2HD2 LEU 84 -8.699 -1.966 -1.775 682 H LYS 85 H LYS 85 -4.541 -3.634 -4.233 683 HA LYS 85 HA LYS 85 -1.814 -4.643 -3.853 684 HB2 LYS 85 2HB LYS 85 -3.377 -3.733 -6.265 685 HB3 LYS 85 1HB LYS 85 -1.623 -3.854 -6.323 686 HG2 LYS 85 2HG LYS 85 -1.712 -6.213 -5.837 687 HG3 LYS 85 1HG LYS 85 -3.460 -6.136 -5.599 688 HD2 LYS 85 2HD LYS 85 -3.843 -5.688 -7.907 689 HD3 LYS 85 1HD LYS 85 -2.131 -5.386 -8.204 690 HE2 LYS 85 2HE LYS 85 -3.217 -8.059 -7.320 691 HE3 LYS 85 1HE LYS 85 -2.998 -7.612 -9.012 692 HZ1 LYS 85 3HZ LYS 85 -0.835 -7.659 -6.979 693 HZ2 LYS 85 1HZ LYS 85 -0.649 -7.330 -8.623 694 HZ3 LYS 85 2HZ LYS 85 -1.115 -8.870 -8.118 695 H LEU 86 H LEU 86 -0.537 -3.255 -2.796 696 HA LEU 86 HA LEU 86 -0.863 -0.399 -2.941 697 HB2 LEU 86 2HB LEU 86 1.434 -1.989 -1.780 698 HB3 LEU 86 1HB LEU 86 1.097 -0.295 -1.490 699 HG LEU 86 HG LEU 86 -0.595 -2.630 -0.574 700 HD11 LEU 86 1HD1 LEU 86 1.124 -0.692 0.980 701 HD12 LEU 86 2HD1 LEU 86 1.465 -2.401 0.698 702 HD13 LEU 86 3HD1 LEU 86 0.076 -1.930 1.677 703 HD21 LEU 86 3HD2 LEU 86 -1.946 -0.973 0.606 704 HD22 LEU 86 1HD2 LEU 86 -1.994 -0.706 -1.135 705 HD23 LEU 86 2HD2 LEU 86 -0.996 0.329 -0.111 706 H SER 87 H SER 87 -0.338 0.608 -4.803 707 HA SER 87 HA SER 87 1.800 -0.334 -6.508 708 HB2 SER 87 2HB SER 87 -0.235 0.622 -7.498 709 HB3 SER 87 1HB SER 87 0.084 2.161 -6.699 710 HG SER 87 HG SER 87 0.828 1.600 -9.051 711 H LEU 88 H LEU 88 3.778 -0.075 -5.487 712 HA LEU 88 HA LEU 88 4.506 2.639 -4.587 713 HB2 LEU 88 2HB LEU 88 5.566 -0.092 -3.936 714 HB3 LEU 88 1HB LEU 88 6.581 1.314 -3.702 715 HG LEU 88 HG LEU 88 4.892 2.254 -2.145 716 HD11 LEU 88 1HD1 LEU 88 3.110 0.820 -1.288 717 HD12 LEU 88 2HD1 LEU 88 3.516 -0.409 -2.487 718 HD13 LEU 88 3HD1 LEU 88 2.896 1.161 -3.003 719 HD21 LEU 88 3HD2 LEU 88 5.361 0.723 -0.291 720 HD22 LEU 88 1HD2 LEU 88 6.794 0.986 -1.288 721 HD23 LEU 88 2HD2 LEU 88 5.878 -0.514 -1.437 722 H MET 89 H MET 89 6.017 3.816 -5.597 723 HA MET 89 HA MET 89 7.542 2.572 -7.787 724 HB2 MET 89 2HB MET 89 8.065 4.920 -8.477 725 HB3 MET 89 1HB MET 89 6.358 4.515 -8.542 726 HG2 MET 89 2HG MET 89 5.891 5.781 -6.592 727 HG3 MET 89 1HG MET 89 7.604 5.967 -6.223 728 HE1 MET 89 3HE MET 89 4.793 6.861 -8.868 729 HE2 MET 89 1HE MET 89 6.125 6.232 -9.837 730 HE3 MET 89 2HE MET 89 5.692 7.938 -9.936 731 H LEU 90 H LEU 90 9.379 1.728 -7.037 732 HA LEU 90 HA LEU 90 10.854 2.922 -4.856 733 HB2 LEU 90 2HB LEU 90 11.500 0.538 -6.606 734 HB3 LEU 90 1HB LEU 90 12.436 1.035 -5.212 735 HG LEU 90 HG LEU 90 11.102 -0.807 -4.533 736 HD11 LEU 90 1HD1 LEU 90 11.263 0.981 -2.894 737 HD12 LEU 90 2HD1 LEU 90 9.727 0.127 -2.753 738 HD13 LEU 90 3HD1 LEU 90 9.787 1.712 -3.526 739 HD21 LEU 90 3HD2 LEU 90 8.660 -0.873 -4.744 740 HD22 LEU 90 1HD2 LEU 90 9.453 -0.798 -6.317 741 HD23 LEU 90 2HD2 LEU 90 8.697 0.646 -5.641 742 H THR 91 H THR 91 11.884 4.783 -5.362 743 HA THR 91 HA THR 91 13.204 5.156 -7.913 744 HB THR 91 HB THR 91 13.240 6.949 -5.469 745 HG1 THR 91 HG1 THR 91 11.554 8.009 -6.427 746 HG21 THR 91 3HG2 THR 91 13.922 8.708 -7.053 747 HG22 THR 91 1HG2 THR 91 14.015 7.504 -8.340 748 HG23 THR 91 2HG2 THR 91 15.116 7.413 -6.965 749 H ASP 92 H ASP 92 15.267 4.720 -8.375 750 HA ASP 92 HA ASP 92 17.048 3.458 -6.602 751 HB2 ASP 92 2HB ASP 92 17.425 4.773 -9.286 752 HB3 ASP 92 1HB ASP 92 18.766 4.030 -8.425 753 H LYS 93 H LYS 93 18.049 4.370 -4.897 754 HA LYS 93 HA LYS 93 18.748 7.137 -4.730 755 HB2 LYS 93 2HB LYS 93 19.827 4.784 -3.156 756 HB3 LYS 93 1HB LYS 93 20.019 6.476 -2.726 757 HG2 LYS 93 2HG LYS 93 17.387 5.003 -2.882 758 HG3 LYS 93 1HG LYS 93 18.281 5.356 -1.404 759 HD2 LYS 93 2HD LYS 93 18.079 7.789 -1.938 760 HD3 LYS 93 1HD LYS 93 17.052 7.357 -3.307 761 HE2 LYS 93 2HE LYS 93 15.498 6.237 -1.718 762 HE3 LYS 93 1HE LYS 93 16.494 6.817 -0.385 763 HZ1 LYS 93 3HZ LYS 93 14.639 8.280 -0.704 764 HZ2 LYS 93 1HZ LYS 93 15.011 8.492 -2.339 765 HZ3 LYS 93 2HZ LYS 93 16.048 9.099 -1.156 766 H LYS 94 H LYS 94 20.175 4.458 -6.292 767 HA LYS 94 HA LYS 94 22.849 5.709 -6.338 768 HB2 LYS 94 2HB LYS 94 23.730 3.464 -6.757 769 HB3 LYS 94 1HB LYS 94 22.757 3.498 -5.292 770 HG2 LYS 94 2HG LYS 94 20.855 2.764 -7.021 771 HG3 LYS 94 1HG LYS 94 22.258 2.124 -7.875 772 HD2 LYS 94 2HD LYS 94 21.413 1.484 -5.044 773 HD3 LYS 94 1HD LYS 94 21.290 0.420 -6.442 774 HE2 LYS 94 2HE LYS 94 23.750 0.416 -6.628 775 HE3 LYS 94 1HE LYS 94 23.847 1.445 -5.197 776 HZ1 LYS 94 3HZ LYS 94 24.183 -0.753 -4.464 777 HZ2 LYS 94 1HZ LYS 94 22.883 -1.352 -5.365 778 HZ3 LYS 94 2HZ LYS 94 22.592 -0.377 -4.018 779 H ASN 95 H ASN 95 20.169 5.128 -8.349 780 HA ASN 95 HA ASN 95 21.837 5.630 -10.738 781 HB2 ASN 95 2HB ASN 95 19.423 3.796 -10.667 782 HB3 ASN 95 1HB ASN 95 20.337 4.231 -12.105 783 HD21 ASN 95 1HD2 ASN 95 20.118 2.149 -9.424 784 HD22 ASN 95 2HD2 ASN 95 21.580 1.266 -9.708 785 H ASN 96 H ASN 96 19.271 6.679 -8.834 786 HA ASN 96 HA ASN 96 17.697 8.298 -9.008 787 HB2 ASN 96 2HB ASN 96 19.644 9.545 -10.020 788 HB3 ASN 96 1HB ASN 96 19.037 9.092 -11.609 789 HD21 ASN 96 1HD2 ASN 96 17.061 9.969 -8.832 790 HD22 ASN 96 2HD2 ASN 96 16.433 11.419 -9.518 791 H GLN 97 H GLN 97 17.656 5.669 -10.835 792 HA GLN 97 HA GLN 97 15.548 6.324 -12.707 793 HB2 GLN 97 2HB GLN 97 16.695 3.648 -11.871 794 HB3 GLN 97 1HB GLN 97 15.556 3.891 -13.190 795 HG2 GLN 97 2HG GLN 97 18.344 5.037 -13.041 796 HG3 GLN 97 1HG GLN 97 17.861 3.629 -13.982 797 HE21 GLN 97 1HE2 GLN 97 15.320 4.791 -14.801 798 HE22 GLN 97 2HE2 GLN 97 15.704 5.981 -15.988 799 H VAL 98 H VAL 98 13.726 4.313 -12.551 800 HA VAL 98 HA VAL 98 12.707 4.208 -9.815 801 HB VAL 98 HB VAL 98 11.757 6.289 -10.661 802 HG11 VAL 98 1HG1 VAL 98 10.548 4.616 -12.869 803 HG12 VAL 98 2HG1 VAL 98 11.813 5.831 -13.054 804 HG13 VAL 98 3HG1 VAL 98 10.194 6.314 -12.552 805 HG21 VAL 98 3HG2 VAL 98 9.384 5.809 -10.262 806 HG22 VAL 98 1HG2 VAL 98 10.418 4.950 -9.121 807 HG23 VAL 98 2HG2 VAL 98 9.695 4.086 -10.477 808 H TYR 99 H TYR 99 11.796 2.318 -9.362 809 HA TYR 99 HA TYR 99 10.845 0.587 -11.568 810 HB2 TYR 99 2HB TYR 99 12.842 -0.296 -10.414 811 HB3 TYR 99 1HB TYR 99 11.996 -0.211 -8.875 812 HD1 TYR 99 HD2 TYR 99 11.963 -1.883 -12.197 813 HD2 TYR 99 HD1 TYR 99 10.633 -2.011 -8.152 814 HE1 TYR 99 HE2 TYR 99 11.139 -4.173 -12.544 815 HE2 TYR 99 HE1 TYR 99 9.808 -4.302 -8.492 816 HH TYR 99 HH TYR 99 9.083 -5.742 -10.340 817 H TYR 100 H TYR 100 8.855 -0.543 -11.258 818 HA TYR 100 HA TYR 100 7.181 0.594 -9.100 819 HB2 TYR 100 2HB TYR 100 6.297 -0.528 -11.773 820 HB3 TYR 100 1HB TYR 100 5.263 0.245 -10.574 821 HD1 TYR 100 HD2 TYR 100 5.411 2.681 -10.189 822 HD2 TYR 100 HD1 TYR 100 7.697 0.780 -13.238 823 HE1 TYR 100 HE2 TYR 100 5.856 4.870 -11.213 824 HE2 TYR 100 HE1 TYR 100 8.148 2.965 -14.269 825 HH TYR 100 HH TYR 100 7.496 5.918 -12.694 826 H LYS 101 H LYS 101 6.062 -0.733 -7.731 827 HA LYS 101 HA LYS 101 6.029 -3.624 -8.254 828 HB2 LYS 101 2HB LYS 101 8.082 -3.119 -6.948 829 HB3 LYS 101 1HB LYS 101 7.088 -2.402 -5.692 830 HG2 LYS 101 2HG LYS 101 7.635 -4.544 -4.908 831 HG3 LYS 101 1HG LYS 101 5.969 -4.675 -5.464 832 HD2 LYS 101 2HD LYS 101 8.071 -5.319 -7.461 833 HD3 LYS 101 1HD LYS 101 7.915 -6.441 -6.111 834 HE2 LYS 101 2HE LYS 101 5.616 -5.585 -7.875 835 HE3 LYS 101 1HE LYS 101 6.568 -7.047 -8.132 836 HZ1 LYS 101 3HZ LYS 101 4.926 -6.422 -5.731 837 HZ2 LYS 101 1HZ LYS 101 5.886 -7.800 -5.919 838 HZ3 LYS 101 2HZ LYS 101 4.551 -7.553 -6.927 839 H LEU 102 H LEU 102 3.981 -4.271 -8.000 840 HA LEU 102 HA LEU 102 2.141 -2.941 -6.198 841 HB2 LEU 102 2HB LEU 102 1.827 -5.440 -7.878 842 HB3 LEU 102 1HB LEU 102 0.535 -4.679 -6.968 843 HG LEU 102 HG LEU 102 2.016 -3.409 -9.283 844 HD11 LEU 102 1HD1 LEU 102 0.587 -5.257 -10.005 845 HD12 LEU 102 2HD1 LEU 102 -0.072 -3.703 -10.518 846 HD13 LEU 102 3HD1 LEU 102 -0.777 -4.549 -9.139 847 HD21 LEU 102 3HD2 LEU 102 -0.383 -2.452 -7.718 848 HD22 LEU 102 1HD2 LEU 102 0.298 -1.670 -9.146 849 HD23 LEU 102 2HD2 LEU 102 1.238 -1.760 -7.657 850 H LEU 103 H LEU 103 1.613 -3.590 -4.163 851 HA LEU 103 HA LEU 103 2.785 -6.119 -3.170 852 HB2 LEU 103 2HB LEU 103 2.108 -3.610 -1.629 853 HB3 LEU 103 1HB LEU 103 2.800 -5.068 -0.945 854 HG LEU 103 HG LEU 103 4.161 -3.332 -3.017 855 HD11 LEU 103 1HD1 LEU 103 4.587 -3.493 -0.033 856 HD12 LEU 103 2HD1 LEU 103 3.932 -2.122 -0.931 857 HD13 LEU 103 3HD1 LEU 103 5.608 -2.611 -1.171 858 HD21 LEU 103 3HD2 LEU 103 6.165 -4.639 -2.431 859 HD22 LEU 103 1HD2 LEU 103 4.894 -5.647 -3.121 860 HD23 LEU 103 2HD2 LEU 103 5.182 -5.660 -1.381 861 H GLU 104 H GLU 104 1.298 -7.662 -2.932 862 HA GLU 104 HA GLU 104 -1.511 -7.070 -2.674 863 HB2 GLU 104 2HB GLU 104 -0.008 -9.701 -2.591 864 HB3 GLU 104 1HB GLU 104 -1.759 -9.557 -2.587 865 HG2 GLU 104 2HG GLU 104 -0.951 -10.125 -4.797 866 HG3 GLU 104 1HG GLU 104 -1.691 -8.527 -4.803 867 H VAL 105 H VAL 105 -2.120 -6.241 -0.727 868 HA VAL 105 HA VAL 105 -1.170 -7.600 1.728 869 HB VAL 105 HB VAL 105 -1.501 -5.458 2.919 870 HG11 VAL 105 1HG1 VAL 105 0.338 -5.258 0.525 871 HG12 VAL 105 2HG1 VAL 105 0.717 -6.035 2.063 872 HG13 VAL 105 3HG1 VAL 105 0.454 -4.293 1.998 873 HG21 VAL 105 3HG2 VAL 105 -1.850 -3.384 1.653 874 HG22 VAL 105 1HG2 VAL 105 -3.215 -4.484 1.458 875 HG23 VAL 105 2HG2 VAL 105 -2.026 -4.315 0.166 876 H SER 106 H SER 106 -2.618 -7.529 3.596 877 HA SER 106 HA SER 106 -5.485 -7.275 2.985 878 HB2 SER 106 2HB SER 106 -4.986 -9.634 2.615 879 HB3 SER 106 1HB SER 106 -4.183 -9.741 4.178 880 HG SER 106 HG SER 106 -6.673 -10.256 3.718 881 H GLY 107 H GLY 107 -6.795 -7.676 5.102 882 HA2 GLY 107 2HA GLY 107 -6.519 -7.661 7.598 883 HA3 GLY 107 1HA GLY 107 -5.370 -6.360 7.353 884 H PHE 108 H PHE 108 -7.234 -5.302 5.177 885 HA PHE 108 HA PHE 108 -8.386 -3.270 6.743 886 HB2 PHE 108 2HB PHE 108 -9.212 -3.994 3.923 887 HB3 PHE 108 1HB PHE 108 -9.270 -2.407 4.685 888 HD1 PHE 108 HD2 PHE 108 -7.026 -1.348 5.370 889 HD2 PHE 108 HD1 PHE 108 -7.347 -4.637 2.683 890 HE1 PHE 108 HE2 PHE 108 -4.771 -0.865 4.510 891 HE2 PHE 108 HE1 PHE 108 -5.092 -4.161 1.822 892 HZ PHE 108 HZ PHE 108 -3.803 -2.272 2.737 893 H LYS 109 H LYS 109 -10.085 -5.764 4.826 894 HA LYS 109 HA LYS 109 -12.168 -5.986 6.861 895 HB2 LYS 109 2HB LYS 109 -12.905 -4.162 5.307 896 HB3 LYS 109 1HB LYS 109 -12.826 -5.304 3.975 897 HG2 LYS 109 2HG LYS 109 -15.118 -5.017 4.695 898 HG3 LYS 109 1HG LYS 109 -14.582 -6.661 5.044 899 HD2 LYS 109 2HD LYS 109 -14.198 -6.038 7.391 900 HD3 LYS 109 1HD LYS 109 -14.717 -4.389 7.041 901 HE2 LYS 109 2HE LYS 109 -16.453 -6.840 6.710 902 HE3 LYS 109 1HE LYS 109 -16.474 -5.781 8.115 903 HZ1 LYS 109 3HZ LYS 109 -17.074 -4.907 5.341 904 HZ2 LYS 109 1HZ LYS 109 -17.202 -3.970 6.745 905 HZ3 LYS 109 2HZ LYS 109 -18.238 -5.284 6.505 906 H SER 110 H SER 110 -13.635 -7.911 6.353 907 HA SER 110 HA SER 110 -12.768 -9.737 4.305 908 HB2 SER 110 2HB SER 110 -12.040 -11.555 5.829 909 HB3 SER 110 1HB SER 110 -10.977 -10.151 5.904 910 HG SER 110 HG SER 110 -11.510 -9.855 7.922 911 H ASN 111 H ASN 111 -14.836 -10.052 3.625 912 HA ASN 111 HA ASN 111 -16.665 -11.400 5.524 913 HB2 ASN 111 2HB ASN 111 -17.333 -9.804 3.033 914 HB3 ASN 111 1HB ASN 111 -18.506 -10.715 3.977 915 HD21 ASN 111 1HD2 ASN 111 -19.715 -8.954 4.527 916 HD22 ASN 111 2HD2 ASN 111 -19.165 -7.737 5.618 917 HA PRO 112 HA PRO 112 -15.156 -14.524 2.362 918 HB2 PRO 112 2HB PRO 112 -15.135 -16.634 4.134 919 HB3 PRO 112 1HB PRO 112 -13.759 -15.562 3.855 920 HG2 PRO 112 2HG PRO 112 -15.797 -15.497 6.050 921 HG3 PRO 112 1HG PRO 112 -14.042 -15.259 6.145 922 HD2 PRO 112 2HD PRO 112 -15.759 -13.187 6.189 923 HD3 PRO 112 1HD PRO 112 -14.175 -13.067 5.398 924 H TYR 113 H TYR 113 -17.518 -15.303 4.938 925 HA TYR 113 HA TYR 113 -19.271 -16.517 2.890 926 HB2 TYR 113 2HB TYR 113 -20.265 -17.795 4.825 927 HB3 TYR 113 1HB TYR 113 -18.591 -18.198 4.458 928 HD1 TYR 113 HD2 TYR 113 -20.836 -16.576 6.882 929 HD2 TYR 113 HD1 TYR 113 -16.806 -17.649 6.012 930 HE1 TYR 113 HE2 TYR 113 -20.212 -16.109 9.215 931 HE2 TYR 113 HE1 TYR 113 -16.175 -17.184 8.341 932 HH TYR 113 HH TYR 113 -18.442 -16.768 10.817 933 H LEU 114 H LEU 114 -19.008 -13.665 4.109 934 HA LEU 114 HA LEU 114 -21.796 -13.339 5.032 935 HB2 LEU 114 2HB LEU 114 -19.379 -11.575 5.474 936 HB3 LEU 114 1HB LEU 114 -21.001 -11.200 6.026 937 HG LEU 114 HG LEU 114 -19.349 -13.566 6.938 938 HD11 LEU 114 1HD1 LEU 114 -19.159 -12.386 9.059 939 HD12 LEU 114 2HD1 LEU 114 -20.054 -11.017 8.398 940 HD13 LEU 114 3HD1 LEU 114 -18.465 -11.428 7.751 941 HD21 LEU 114 3HD2 LEU 114 -22.054 -12.570 7.845 942 HD22 LEU 114 1HD2 LEU 114 -21.121 -13.848 8.627 943 HD23 LEU 114 2HD2 LEU 114 -21.719 -14.074 6.985 944 H GLU 115 H GLU 115 -20.702 -13.394 2.177 945 HA GLU 115 HA GLU 115 -21.646 -10.712 1.381 946 HB2 GLU 115 2HB GLU 115 -19.208 -11.410 0.864 947 HB3 GLU 115 1HB GLU 115 -19.908 -12.442 -0.373 948 HG2 GLU 115 2HG GLU 115 -20.304 -9.453 -0.203 949 HG3 GLU 115 1HG GLU 115 -19.103 -10.248 -1.215 950 H HIS 116 H HIS 116 -23.808 -11.273 1.277 951 HA HIS 116 HA HIS 116 -24.511 -12.436 -1.316 952 HB2 HIS 116 2HB HIS 116 -24.868 -14.222 0.403 953 HB3 HIS 116 1HB HIS 116 -25.980 -13.151 1.246 954 HD1 HIS 116 HD1 HIS 116 -25.651 -14.776 -2.182 955 HD2 HIS 116 HD2 HIS 116 -28.572 -13.434 0.450 956 HE1 HIS 116 HE1 HIS 116 -27.843 -15.433 -3.217 957 HE2 HIS 116 HE2 HIS 116 -29.583 -14.412 -1.718 958 H HIS 117 H HIS 117 -24.204 -9.772 -0.618 959 HA HIS 117 HA HIS 117 -26.801 -8.682 0.166 960 HB2 HIS 117 2HB HIS 117 -24.236 -7.203 -0.474 961 HB3 HIS 117 1HB HIS 117 -25.654 -6.555 0.345 962 HD1 HIS 117 HD1 HIS 117 -25.998 -7.238 2.834 963 HD2 HIS 117 HD2 HIS 117 -22.516 -8.720 1.120 964 HE1 HIS 117 HE1 HIS 117 -24.609 -8.070 4.747 965 HE2 HIS 117 HE2 HIS 117 -22.572 -9.084 3.681 966 H HIS 118 H HIS 118 -28.286 -8.103 -1.304 967 HA HIS 118 HA HIS 118 -27.391 -7.577 -4.069 968 HB2 HIS 118 2HB HIS 118 -29.558 -8.306 -4.847 969 HB3 HIS 118 1HB HIS 118 -28.894 -9.541 -3.786 970 HD1 HIS 118 HD1 HIS 118 -30.025 -9.749 -1.392 971 HD2 HIS 118 HD2 HIS 118 -31.981 -7.247 -4.072 972 HE1 HIS 118 HE1 HIS 118 -32.311 -9.398 -0.434 973 HE2 HIS 118 HE2 HIS 118 -33.435 -7.789 -2.005 974 H HIS 119 H HIS 119 -27.743 -5.634 -4.970 975 HA HIS 119 HA HIS 119 -28.635 -3.450 -3.379 976 HB2 HIS 119 2HB HIS 119 -28.042 -3.639 -6.344 977 HB3 HIS 119 1HB HIS 119 -28.382 -2.131 -5.501 978 HD1 HIS 119 HD1 HIS 119 -25.606 -3.819 -6.760 979 HD2 HIS 119 HD2 HIS 119 -26.413 -2.060 -3.081 980 HE1 HIS 119 HE1 HIS 119 -23.367 -3.348 -5.734 981 HE2 HIS 119 HE2 HIS 119 -23.881 -2.410 -3.458 982 H HIS 120 H HIS 120 -30.097 -5.257 -6.048 983 HA HIS 120 HA HIS 120 -32.759 -4.522 -5.206 984 HB2 HIS 120 2HB HIS 120 -33.426 -3.472 -7.331 985 HB3 HIS 120 1HB HIS 120 -32.151 -2.546 -6.545 986 HD1 HIS 120 HD1 HIS 120 -29.898 -2.367 -7.754 987 HD2 HIS 120 HD2 HIS 120 -32.649 -4.779 -9.729 988 HE1 HIS 120 HE1 HIS 120 -28.898 -2.827 -10.007 989 HE2 HIS 120 HE2 HIS 120 -30.616 -4.204 -11.216 990 H HIS 121 H HIS 121 -34.415 -5.461 -6.836 991 HA HIS 121 HA HIS 121 -33.523 -8.112 -7.704 992 HB2 HIS 121 2HB HIS 121 -35.555 -7.964 -6.332 993 HB3 HIS 121 1HB HIS 121 -36.301 -6.908 -7.524 994 HD1 HIS 121 HD1 HIS 121 -35.179 -10.488 -7.078 995 HD2 HIS 121 HD2 HIS 121 -37.559 -8.207 -9.611 996 HE1 HIS 121 HE1 HIS 121 -36.382 -12.135 -8.533 997 HE2 HIS 121 HE2 HIS 121 -37.665 -10.731 -10.175 Start of MODEL 2 1 H1 MET 1 1H MET 1 24.378 -18.445 4.722 2 H2 MET 1 2H MET 1 25.784 -18.616 5.638 3 H3 MET 1 3H MET 1 25.887 -18.202 3.999 4 HA MET 1 HA MET 1 24.728 -16.538 6.164 5 HB2 MET 1 2HB MET 1 27.273 -16.288 4.546 6 HB3 MET 1 1HB MET 1 26.626 -14.991 5.543 7 HG2 MET 1 2HG MET 1 27.495 -17.703 6.522 8 HG3 MET 1 1HG MET 1 28.399 -16.198 6.688 9 HE1 MET 1 3HE MET 1 28.645 -16.405 9.287 10 HE2 MET 1 1HE MET 1 27.855 -17.980 9.205 11 HE3 MET 1 2HE MET 1 27.307 -16.776 10.373 12 H LEU 2 H LEU 2 24.360 -14.256 5.406 13 HA LEU 2 HA LEU 2 23.607 -14.083 2.555 14 HB2 LEU 2 2HB LEU 2 21.669 -14.586 4.203 15 HB3 LEU 2 1HB LEU 2 21.875 -12.936 4.747 16 HG LEU 2 HG LEU 2 20.019 -13.216 3.129 17 HD11 LEU 2 1HD1 LEU 2 20.556 -11.343 1.676 18 HD12 LEU 2 2HD1 LEU 2 22.268 -11.508 2.065 19 HD13 LEU 2 3HD1 LEU 2 21.118 -11.042 3.320 20 HD21 LEU 2 3HD2 LEU 2 20.516 -13.644 0.767 21 HD22 LEU 2 1HD2 LEU 2 20.944 -15.016 1.788 22 HD23 LEU 2 2HD2 LEU 2 22.204 -13.944 1.177 23 H SER 3 H SER 3 24.569 -12.347 1.641 24 HA SER 3 HA SER 3 25.398 -10.119 3.409 25 HB2 SER 3 2HB SER 3 26.823 -11.196 0.958 26 HB3 SER 3 1HB SER 3 27.331 -9.784 1.882 27 HG SER 3 HG SER 3 28.488 -11.373 2.781 28 H GLN 4 H GLN 4 25.381 -10.417 -0.151 29 HA GLN 4 HA GLN 4 23.078 -8.816 -0.535 30 HB2 GLN 4 2HB GLN 4 24.026 -6.755 -1.352 31 HB3 GLN 4 1HB GLN 4 24.606 -7.032 0.281 32 HG2 GLN 4 2HG GLN 4 26.197 -7.653 -2.204 33 HG3 GLN 4 1HG GLN 4 26.310 -6.142 -1.308 34 HE21 GLN 4 1HE2 GLN 4 27.266 -6.149 0.740 35 HE22 GLN 4 2HE2 GLN 4 28.264 -7.456 1.277 36 H ALA 5 H ALA 5 22.403 -8.767 -2.650 37 HA ALA 5 HA ALA 5 24.119 -9.273 -4.884 38 HB1 ALA 5 3HB ALA 5 23.936 -11.568 -3.997 39 HB2 ALA 5 1HB ALA 5 23.187 -11.413 -5.586 40 HB3 ALA 5 2HB ALA 5 22.181 -11.472 -4.139 41 H ASN 6 H ASN 6 22.974 -9.097 -6.931 42 HA ASN 6 HA ASN 6 20.964 -7.164 -6.939 43 HB2 ASN 6 2HB ASN 6 21.858 -9.083 -9.089 44 HB3 ASN 6 1HB ASN 6 20.640 -7.840 -9.377 45 HD21 ASN 6 1HD2 ASN 6 23.981 -8.449 -8.663 46 HD22 ASN 6 2HD2 ASN 6 24.555 -6.867 -9.040 47 H GLU 7 H GLU 7 20.667 -10.676 -7.122 48 HA GLU 7 HA GLU 7 17.864 -10.739 -7.580 49 HB2 GLU 7 2HB GLU 7 17.991 -13.092 -6.901 50 HB3 GLU 7 1HB GLU 7 19.292 -12.685 -8.009 51 HG2 GLU 7 2HG GLU 7 20.858 -12.534 -6.140 52 HG3 GLU 7 1HG GLU 7 19.557 -12.918 -5.013 53 H ASP 8 H ASP 8 19.809 -10.520 -4.643 54 HA ASP 8 HA ASP 8 17.598 -10.947 -2.868 55 HB2 ASP 8 2HB ASP 8 20.352 -9.800 -2.346 56 HB3 ASP 8 1HB ASP 8 19.177 -10.201 -1.095 57 H PHE 9 H PHE 9 19.189 -8.107 -4.258 58 HA PHE 9 HA PHE 9 17.919 -6.128 -2.727 59 HB2 PHE 9 2HB PHE 9 18.809 -5.994 -5.620 60 HB3 PHE 9 1HB PHE 9 18.366 -4.602 -4.639 61 HD1 PHE 9 HD1 PHE 9 19.681 -5.352 -2.061 62 HD2 PHE 9 HD2 PHE 9 21.068 -5.595 -6.084 63 HE1 PHE 9 HE1 PHE 9 22.001 -5.164 -1.272 64 HE2 PHE 9 HE2 PHE 9 23.390 -5.411 -5.294 65 HZ PHE 9 HZ PHE 9 23.860 -5.193 -2.886 66 H LYS 10 H LYS 10 16.941 -7.426 -5.931 67 HA LYS 10 HA LYS 10 14.469 -6.104 -6.051 68 HB2 LYS 10 2HB LYS 10 13.867 -7.593 -7.814 69 HB3 LYS 10 1HB LYS 10 15.599 -7.320 -7.951 70 HG2 LYS 10 2HG LYS 10 16.056 -9.483 -6.960 71 HG3 LYS 10 1HG LYS 10 14.329 -9.759 -6.710 72 HD2 LYS 10 2HD LYS 10 13.979 -9.647 -9.152 73 HD3 LYS 10 1HD LYS 10 15.713 -9.420 -9.380 74 HE2 LYS 10 2HE LYS 10 15.049 -11.743 -9.781 75 HE3 LYS 10 1HE LYS 10 16.144 -11.616 -8.404 76 HZ1 LYS 10 3HZ LYS 10 14.370 -11.935 -6.906 77 HZ2 LYS 10 1HZ LYS 10 14.174 -13.113 -8.101 78 HZ3 LYS 10 2HZ LYS 10 13.196 -11.730 -8.102 79 H LYS 11 H LYS 11 15.396 -9.136 -4.530 80 HA LYS 11 HA LYS 11 12.867 -10.098 -3.781 81 HB2 LYS 11 2HB LYS 11 14.878 -11.456 -3.624 82 HB3 LYS 11 1HB LYS 11 15.558 -10.375 -2.418 83 HG2 LYS 11 2HG LYS 11 13.805 -11.019 -0.838 84 HG3 LYS 11 1HG LYS 11 13.104 -12.091 -2.057 85 HD2 LYS 11 2HD LYS 11 15.147 -13.422 -2.102 86 HD3 LYS 11 1HD LYS 11 15.909 -12.330 -0.944 87 HE2 LYS 11 2HE LYS 11 14.245 -12.949 0.741 88 HE3 LYS 11 1HE LYS 11 13.458 -14.018 -0.422 89 HZ1 LYS 11 3HZ LYS 11 15.346 -15.418 -0.467 90 HZ2 LYS 11 1HZ LYS 11 14.994 -15.140 1.162 91 HZ3 LYS 11 2HZ LYS 11 16.283 -14.333 0.424 92 H ILE 12 H ILE 12 15.089 -7.889 -2.070 93 HA ILE 12 HA ILE 12 13.551 -7.458 0.233 94 HB ILE 12 HB ILE 12 15.429 -5.546 -1.182 95 HG12 ILE 12 2HG1 ILE 12 15.880 -7.386 1.191 96 HG13 ILE 12 1HG1 ILE 12 16.472 -7.662 -0.443 97 HG21 ILE 12 1HG2 ILE 12 15.559 -4.318 0.929 98 HG22 ILE 12 2HG2 ILE 12 14.352 -5.389 1.641 99 HG23 ILE 12 3HG2 ILE 12 13.910 -4.324 0.306 100 HD11 ILE 12 3HD1 ILE 12 17.269 -5.395 1.370 101 HD12 ILE 12 1HD1 ILE 12 17.850 -5.646 -0.277 102 HD13 ILE 12 2HD1 ILE 12 18.231 -6.822 0.982 103 H VAL 13 H VAL 13 13.416 -5.900 -2.948 104 HA VAL 13 HA VAL 13 11.537 -3.892 -2.276 105 HB VAL 13 HB VAL 13 11.994 -5.154 -4.989 106 HG11 VAL 13 1HG1 VAL 13 10.765 -2.503 -4.202 107 HG12 VAL 13 2HG1 VAL 13 9.927 -3.879 -4.924 108 HG13 VAL 13 3HG1 VAL 13 11.140 -2.999 -5.853 109 HG21 VAL 13 3HG2 VAL 13 13.532 -3.260 -5.380 110 HG22 VAL 13 1HG2 VAL 13 14.086 -4.311 -4.076 111 HG23 VAL 13 2HG2 VAL 13 13.326 -2.764 -3.700 112 H ASN 14 H ASN 14 11.096 -7.191 -3.576 113 HA ASN 14 HA ASN 14 8.238 -7.031 -3.625 114 HB2 ASN 14 2HB ASN 14 10.098 -9.417 -3.578 115 HB3 ASN 14 1HB ASN 14 8.348 -9.546 -3.743 116 HD21 ASN 14 1HD2 ASN 14 11.303 -8.678 -5.306 117 HD22 ASN 14 2HD2 ASN 14 10.646 -8.496 -6.889 118 H ASN 15 H ASN 15 10.586 -7.701 -1.157 119 HA ASN 15 HA ASN 15 8.649 -8.787 0.709 120 HB2 ASN 15 2HB ASN 15 11.610 -8.263 0.829 121 HB3 ASN 15 1HB ASN 15 10.703 -8.612 2.303 122 HD21 ASN 15 1HD2 ASN 15 12.780 -10.172 0.941 123 HD22 ASN 15 2HD2 ASN 15 12.064 -11.713 0.629 124 H ILE 16 H ILE 16 9.014 -5.748 -0.336 125 HA ILE 16 HA ILE 16 9.002 -4.228 2.047 126 HB ILE 16 HB ILE 16 7.696 -3.651 -0.625 127 HG12 ILE 16 2HG1 ILE 16 10.270 -2.625 0.616 128 HG13 ILE 16 1HG1 ILE 16 10.160 -3.813 -0.679 129 HG21 ILE 16 1HG2 ILE 16 7.537 -1.316 0.119 130 HG22 ILE 16 2HG2 ILE 16 8.122 -1.784 1.715 131 HG23 ILE 16 3HG2 ILE 16 6.569 -2.385 1.133 132 HD11 ILE 16 3HD1 ILE 16 9.146 -2.135 -2.133 133 HD12 ILE 16 1HD1 ILE 16 10.726 -1.622 -1.545 134 HD13 ILE 16 2HD1 ILE 16 9.260 -0.945 -0.834 135 H ARG 17 H ARG 17 7.594 -4.445 3.689 136 HA ARG 17 HA ARG 17 4.780 -5.074 3.034 137 HB2 ARG 17 2HB ARG 17 6.404 -6.693 4.462 138 HB3 ARG 17 1HB ARG 17 5.796 -5.685 5.767 139 HG2 ARG 17 2HG ARG 17 4.420 -7.649 5.575 140 HG3 ARG 17 1HG ARG 17 3.481 -6.241 5.072 141 HD2 ARG 17 2HD ARG 17 4.034 -6.799 2.704 142 HD3 ARG 17 1HD ARG 17 4.819 -8.271 3.275 143 HE ARG 17 HE ARG 17 2.378 -8.561 4.309 144 HH11 ARG 17 1HH1 ARG 17 3.414 -7.675 1.135 145 HH12 ARG 17 2HH1 ARG 17 1.994 -8.301 0.377 146 HH21 ARG 17 1HH2 ARG 17 0.559 -9.376 3.306 147 HH22 ARG 17 2HH2 ARG 17 0.391 -9.223 1.589 148 H LEU 18 H LEU 18 3.136 -4.028 4.233 149 HA LEU 18 HA LEU 18 3.725 -1.288 4.744 150 HB2 LEU 18 2HB LEU 18 1.247 -1.180 5.338 151 HB3 LEU 18 1HB LEU 18 1.679 -1.645 3.707 152 HG LEU 18 HG LEU 18 1.205 -3.998 4.230 153 HD11 LEU 18 1HD1 LEU 18 0.388 -3.002 6.959 154 HD12 LEU 18 2HD1 LEU 18 1.739 -4.073 6.590 155 HD13 LEU 18 3HD1 LEU 18 0.085 -4.621 6.325 156 HD21 LEU 18 3HD2 LEU 18 -1.048 -2.124 4.956 157 HD22 LEU 18 1HD2 LEU 18 -1.226 -3.799 4.429 158 HD23 LEU 18 2HD2 LEU 18 -0.564 -2.593 3.326 159 H LYS 19 H LYS 19 4.767 -3.360 6.742 160 HA LYS 19 HA LYS 19 4.214 -1.753 9.087 161 HB2 LYS 19 2HB LYS 19 3.620 -3.695 10.506 162 HB3 LYS 19 1HB LYS 19 2.425 -3.369 9.259 163 HG2 LYS 19 2HG LYS 19 3.416 -5.200 7.898 164 HG3 LYS 19 1HG LYS 19 4.494 -5.563 9.246 165 HD2 LYS 19 2HD LYS 19 1.473 -5.654 9.319 166 HD3 LYS 19 1HD LYS 19 2.546 -7.051 9.237 167 HE2 LYS 19 2HE LYS 19 3.493 -6.454 11.417 168 HE3 LYS 19 1HE LYS 19 2.437 -5.042 11.494 169 HZ1 LYS 19 3HZ LYS 19 0.528 -6.506 11.495 170 HZ2 LYS 19 1HZ LYS 19 1.560 -6.896 12.774 171 HZ3 LYS 19 2HZ LYS 19 1.526 -7.864 11.393 172 H ASP 20 H ASP 20 5.919 -4.563 7.745 173 HA ASP 20 HA ASP 20 8.005 -4.438 9.726 174 HB2 ASP 20 2HB ASP 20 7.268 -6.558 8.595 175 HB3 ASP 20 1HB ASP 20 8.011 -5.968 7.113 176 H THR 21 H THR 21 7.594 -3.365 6.386 177 HA THR 21 HA THR 21 10.342 -2.364 6.262 178 HB THR 21 HB THR 21 8.182 -2.180 4.142 179 HG1 THR 21 HG1 THR 21 9.970 -3.950 3.428 180 HG21 THR 21 3HG2 THR 21 9.994 -0.577 3.816 181 HG22 THR 21 1HG2 THR 21 10.084 -1.858 2.608 182 HG23 THR 21 2HG2 THR 21 11.188 -1.866 3.984 183 H PHE 22 H PHE 22 7.033 -1.065 5.872 184 HA PHE 22 HA PHE 22 7.784 1.397 7.202 185 HB2 PHE 22 2HB PHE 22 7.363 2.908 5.419 186 HB3 PHE 22 1HB PHE 22 8.414 1.674 4.733 187 HD1 PHE 22 HD1 PHE 22 7.242 -0.257 3.441 188 HD2 PHE 22 HD2 PHE 22 5.375 3.465 4.354 189 HE1 PHE 22 HE1 PHE 22 5.594 -0.639 1.651 190 HE2 PHE 22 HE2 PHE 22 3.733 3.083 2.567 191 HZ PHE 22 HZ PHE 22 3.839 1.033 1.214 192 H ASP 23 H ASP 23 6.029 2.274 8.269 193 HA ASP 23 HA ASP 23 3.399 1.102 7.669 194 HB2 ASP 23 2HB ASP 23 2.701 2.062 9.872 195 HB3 ASP 23 1HB ASP 23 3.982 0.864 9.986 196 H PHE 24 H PHE 24 2.083 2.230 6.398 197 HA PHE 24 HA PHE 24 2.588 5.067 5.978 198 HB2 PHE 24 2HB PHE 24 1.181 4.915 4.030 199 HB3 PHE 24 1HB PHE 24 2.291 3.553 4.023 200 HD1 PHE 24 HD1 PHE 24 1.417 1.284 4.758 201 HD2 PHE 24 HD2 PHE 24 -1.146 4.582 3.923 202 HE1 PHE 24 HE1 PHE 24 -0.478 -0.258 4.485 203 HE2 PHE 24 HE2 PHE 24 -3.046 3.040 3.652 204 HZ PHE 24 HZ PHE 24 -2.710 0.615 3.933 205 H LYS 25 H LYS 25 1.426 6.652 6.795 206 HA LYS 25 HA LYS 25 -1.133 6.030 8.132 207 HB2 LYS 25 2HB LYS 25 0.627 6.772 9.670 208 HB3 LYS 25 1HB LYS 25 0.870 8.228 8.714 209 HG2 LYS 25 2HG LYS 25 -1.405 8.964 9.261 210 HG3 LYS 25 1HG LYS 25 -1.640 7.505 10.225 211 HD2 LYS 25 2HD LYS 25 -1.081 9.390 11.664 212 HD3 LYS 25 1HD LYS 25 0.212 8.191 11.697 213 HE2 LYS 25 2HE LYS 25 1.491 9.544 10.088 214 HE3 LYS 25 1HE LYS 25 0.202 10.746 10.080 215 HZ1 LYS 25 3HZ LYS 25 2.021 11.378 11.540 216 HZ2 LYS 25 1HZ LYS 25 1.815 9.966 12.444 217 HZ3 LYS 25 2HZ LYS 25 0.602 11.143 12.422 218 H LEU 26 H LEU 26 -2.938 6.995 7.383 219 HA LEU 26 HA LEU 26 -2.771 8.636 5.030 220 HB2 LEU 26 2HB LEU 26 -5.164 7.783 6.675 221 HB3 LEU 26 1HB LEU 26 -5.262 8.641 5.150 222 HG LEU 26 HG LEU 26 -5.715 6.353 4.683 223 HD11 LEU 26 1HD1 LEU 26 -3.930 5.733 3.139 224 HD12 LEU 26 2HD1 LEU 26 -2.852 6.906 3.895 225 HD13 LEU 26 3HD1 LEU 26 -4.292 7.457 3.037 226 HD21 LEU 26 3HD2 LEU 26 -3.160 5.634 6.129 227 HD22 LEU 26 1HD2 LEU 26 -4.227 4.509 5.288 228 HD23 LEU 26 2HD2 LEU 26 -4.799 5.361 6.722 229 H ALA 27 H ALA 27 -3.009 10.800 4.820 230 HA ALA 27 HA ALA 27 -2.590 12.517 6.992 231 HB1 ALA 27 3HB ALA 27 -2.994 14.342 5.434 232 HB2 ALA 27 1HB ALA 27 -3.738 13.223 4.289 233 HB3 ALA 27 2HB ALA 27 -2.022 13.083 4.673 234 H ALA 28 H ALA 28 -5.616 11.697 5.313 235 HA ALA 28 HA ALA 28 -7.209 13.495 6.902 236 HB1 ALA 28 3HB ALA 28 -8.077 11.263 5.064 237 HB2 ALA 28 1HB ALA 28 -7.838 12.949 4.606 238 HB3 ALA 28 2HB ALA 28 -9.120 12.517 5.739 239 H PHE 29 H PHE 29 -6.149 10.218 7.220 240 HA PHE 29 HA PHE 29 -7.847 9.882 9.614 241 HB2 PHE 29 2HB PHE 29 -7.070 7.686 7.676 242 HB3 PHE 29 1HB PHE 29 -8.050 7.496 9.123 243 HD1 PHE 29 HD1 PHE 29 -10.309 8.654 9.213 244 HD2 PHE 29 HD2 PHE 29 -8.044 8.267 5.621 245 HE1 PHE 29 HE1 PHE 29 -12.339 9.075 7.885 246 HE2 PHE 29 HE2 PHE 29 -10.071 8.689 4.296 247 HZ PHE 29 HZ PHE 29 -12.222 9.094 5.425 248 HA PRO 30 HA PRO 30 -3.299 9.584 10.592 249 HB2 PRO 30 2HB PRO 30 -3.421 10.923 12.962 250 HB3 PRO 30 1HB PRO 30 -3.278 11.732 11.396 251 HG2 PRO 30 2HG PRO 30 -5.727 11.260 13.065 252 HG3 PRO 30 1HG PRO 30 -5.225 12.731 12.209 253 HD2 PRO 30 2HD PRO 30 -7.082 11.045 11.204 254 HD3 PRO 30 1HD PRO 30 -5.958 11.941 10.160 255 H ASN 31 H ASN 31 -6.134 8.615 12.400 256 HA ASN 31 HA ASN 31 -4.456 6.802 14.027 257 HB2 ASN 31 2HB ASN 31 -7.198 7.868 14.741 258 HB3 ASN 31 1HB ASN 31 -6.165 6.859 15.753 259 HD21 ASN 31 1HD2 ASN 31 -6.642 10.014 14.419 260 HD22 ASN 31 2HD2 ASN 31 -5.514 10.838 15.434 261 H GLN 32 H GLN 32 -6.111 6.622 11.320 262 HA GLN 32 HA GLN 32 -7.453 4.071 11.961 263 HB2 GLN 32 2HB GLN 32 -7.697 5.766 9.461 264 HB3 GLN 32 1HB GLN 32 -8.572 4.275 9.778 265 HG2 GLN 32 2HG GLN 32 -8.817 6.822 11.377 266 HG3 GLN 32 1HG GLN 32 -9.951 6.267 10.147 267 HE21 GLN 32 1HE2 GLN 32 -10.382 6.817 12.972 268 HE22 GLN 32 2HE2 GLN 32 -11.001 5.359 13.660 269 H ASN 33 H ASN 33 -5.754 2.668 12.001 270 HA ASN 33 HA ASN 33 -3.613 2.736 10.107 271 HB2 ASN 33 2HB ASN 33 -4.373 0.569 12.081 272 HB3 ASN 33 1HB ASN 33 -2.831 0.704 11.240 273 HD21 ASN 33 1HD2 ASN 33 -4.836 1.988 13.766 274 HD22 ASN 33 2HD2 ASN 33 -3.617 2.961 14.509 275 H TYR 34 H TYR 34 -2.961 0.889 8.782 276 HA TYR 34 HA TYR 34 -4.811 -0.089 6.949 277 HB2 TYR 34 2HB TYR 34 -2.942 -1.884 6.563 278 HB3 TYR 34 1HB TYR 34 -2.601 -0.190 6.229 279 HD1 TYR 34 HD1 TYR 34 -2.119 -2.875 8.774 280 HD2 TYR 34 HD2 TYR 34 -0.873 0.952 7.367 281 HE1 TYR 34 HE1 TYR 34 -0.204 -2.931 10.319 282 HE2 TYR 34 HE2 TYR 34 1.040 0.901 8.906 283 HH TYR 34 HH TYR 34 1.763 -0.150 10.901 284 H ASP 35 H ASP 35 -4.483 -1.039 10.148 285 HA ASP 35 HA ASP 35 -5.289 -3.800 9.822 286 HB2 ASP 35 2HB ASP 35 -3.720 -3.045 11.601 287 HB3 ASP 35 1HB ASP 35 -5.018 -2.096 12.315 288 H GLN 36 H GLN 36 -6.956 -0.908 9.655 289 HA GLN 36 HA GLN 36 -9.463 -2.109 10.594 290 HB2 GLN 36 2HB GLN 36 -10.007 -0.148 11.971 291 HB3 GLN 36 1HB GLN 36 -8.551 -0.957 12.535 292 HG2 GLN 36 2HG GLN 36 -7.290 0.794 11.109 293 HG3 GLN 36 1HG GLN 36 -8.815 1.680 11.130 294 HE21 GLN 36 1HE2 GLN 36 -9.563 2.509 13.094 295 HE22 GLN 36 2HE2 GLN 36 -8.518 2.694 14.455 296 H LEU 37 H LEU 37 -7.894 0.490 8.781 297 HA LEU 37 HA LEU 37 -10.271 1.840 8.010 298 HB2 LEU 37 2HB LEU 37 -7.635 2.444 7.924 299 HB3 LEU 37 1HB LEU 37 -7.885 2.015 6.245 300 HG LEU 37 HG LEU 37 -9.375 4.176 7.756 301 HD11 LEU 37 1HD1 LEU 37 -7.045 4.757 7.312 302 HD12 LEU 37 2HD1 LEU 37 -8.148 5.729 6.341 303 HD13 LEU 37 3HD1 LEU 37 -7.274 4.389 5.600 304 HD21 LEU 37 3HD2 LEU 37 -9.531 3.387 4.844 305 HD22 LEU 37 1HD2 LEU 37 -10.294 4.803 5.568 306 HD23 LEU 37 2HD2 LEU 37 -10.800 3.186 6.051 307 H LEU 38 H LEU 38 -11.661 1.534 6.322 308 HA LEU 38 HA LEU 38 -11.600 -0.921 4.863 309 HB2 LEU 38 2HB LEU 38 -13.376 1.508 4.744 310 HB3 LEU 38 1HB LEU 38 -13.555 0.196 3.595 311 HG LEU 38 HG LEU 38 -13.974 -1.366 5.490 312 HD11 LEU 38 1HD1 LEU 38 -12.812 -0.155 7.263 313 HD12 LEU 38 2HD1 LEU 38 -14.490 -0.465 7.703 314 HD13 LEU 38 3HD1 LEU 38 -14.001 1.143 7.170 315 HD21 LEU 38 3HD2 LEU 38 -15.826 -0.367 4.254 316 HD22 LEU 38 1HD2 LEU 38 -15.822 1.018 5.346 317 HD23 LEU 38 2HD2 LEU 38 -16.246 -0.583 5.953 318 HA PRO 39 HA PRO 39 -8.961 0.057 1.482 319 HB2 PRO 39 2HB PRO 39 -10.177 -1.441 -0.514 320 HB3 PRO 39 1HB PRO 39 -9.069 -2.085 0.701 321 HG2 PRO 39 2HG PRO 39 -12.065 -2.101 0.665 322 HG3 PRO 39 1HG PRO 39 -10.945 -3.388 1.154 323 HD2 PRO 39 2HD PRO 39 -12.221 -1.895 2.975 324 HD3 PRO 39 1HD PRO 39 -10.542 -2.410 3.234 325 H SER 40 H SER 40 -12.431 0.121 0.605 326 HA SER 40 HA SER 40 -12.263 1.770 -1.635 327 HB2 SER 40 2HB SER 40 -14.532 1.682 0.378 328 HB3 SER 40 1HB SER 40 -14.638 2.260 -1.285 329 HG SER 40 HG SER 40 -14.146 0.145 -1.983 330 H GLN 41 H GLN 41 -12.361 2.635 1.785 331 HA GLN 41 HA GLN 41 -12.583 5.466 1.337 332 HB2 GLN 41 2HB GLN 41 -11.765 3.900 3.796 333 HB3 GLN 41 1HB GLN 41 -12.044 5.637 3.765 334 HG2 GLN 41 2HG GLN 41 -14.104 3.524 3.129 335 HG3 GLN 41 1HG GLN 41 -13.956 4.380 4.661 336 HE21 GLN 41 1HE2 GLN 41 -14.872 4.643 1.320 337 HE22 GLN 41 2HE2 GLN 41 -15.692 6.153 1.455 338 H ILE 42 H ILE 42 -9.913 3.274 2.223 339 HA ILE 42 HA ILE 42 -7.823 5.095 2.395 340 HB ILE 42 HB ILE 42 -7.681 2.305 1.210 341 HG12 ILE 42 2HG1 ILE 42 -7.320 3.234 4.076 342 HG13 ILE 42 1HG1 ILE 42 -8.696 2.326 3.459 343 HG21 ILE 42 1HG2 ILE 42 -5.323 2.356 1.936 344 HG22 ILE 42 2HG2 ILE 42 -5.522 4.041 2.419 345 HG23 ILE 42 3HG2 ILE 42 -5.674 3.585 0.722 346 HD11 ILE 42 3HD1 ILE 42 -7.198 0.870 4.652 347 HD12 ILE 42 1HD1 ILE 42 -5.851 1.361 3.625 348 HD13 ILE 42 2HD1 ILE 42 -7.197 0.451 2.939 349 H TYR 43 H TYR 43 -9.193 3.548 -0.467 350 HA TYR 43 HA TYR 43 -7.439 4.319 -2.449 351 HB2 TYR 43 2HB TYR 43 -9.300 2.777 -2.801 352 HB3 TYR 43 1HB TYR 43 -10.457 4.082 -2.581 353 HD1 TYR 43 HD1 TYR 43 -7.801 2.785 -4.827 354 HD2 TYR 43 HD2 TYR 43 -11.076 5.478 -4.411 355 HE1 TYR 43 HE1 TYR 43 -7.772 3.191 -7.253 356 HE2 TYR 43 HE2 TYR 43 -11.052 5.892 -6.835 357 HH TYR 43 HH TYR 43 -9.514 5.734 -8.728 358 H LYS 44 H LYS 44 -9.886 6.302 -0.862 359 HA LYS 44 HA LYS 44 -9.780 8.381 -2.873 360 HB2 LYS 44 2HB LYS 44 -11.162 8.324 -0.183 361 HB3 LYS 44 1HB LYS 44 -11.356 9.587 -1.391 362 HG2 LYS 44 2HG LYS 44 -12.143 6.687 -1.689 363 HG3 LYS 44 1HG LYS 44 -13.232 8.054 -1.454 364 HD2 LYS 44 2HD LYS 44 -11.444 7.574 -3.849 365 HD3 LYS 44 1HD LYS 44 -13.197 7.390 -3.798 366 HE2 LYS 44 2HE LYS 44 -11.684 9.977 -3.390 367 HE3 LYS 44 1HE LYS 44 -12.526 9.501 -4.862 368 HZ1 LYS 44 3HZ LYS 44 -14.604 9.545 -3.690 369 HZ2 LYS 44 1HZ LYS 44 -13.817 11.024 -3.462 370 HZ3 LYS 44 2HZ LYS 44 -13.836 9.875 -2.222 371 H ASN 45 H ASN 45 -7.781 7.628 -0.281 372 HA ASN 45 HA ASN 45 -7.295 10.294 0.684 373 HB2 ASN 45 2HB ASN 45 -5.915 7.655 1.151 374 HB3 ASN 45 1HB ASN 45 -5.300 9.163 1.826 375 HD21 ASN 45 1HD2 ASN 45 -7.943 6.895 1.860 376 HD22 ASN 45 2HD2 ASN 45 -8.627 7.426 3.349 377 H TYR 46 H TYR 46 -6.403 8.861 -2.186 378 HA TYR 46 HA TYR 46 -3.735 9.586 -2.567 379 HB2 TYR 46 2HB TYR 46 -4.167 9.516 -4.943 380 HB3 TYR 46 1HB TYR 46 -5.103 8.243 -4.174 381 HD1 TYR 46 HD2 TYR 46 -7.600 8.778 -3.671 382 HD2 TYR 46 HD1 TYR 46 -5.222 11.031 -6.395 383 HE1 TYR 46 HE2 TYR 46 -9.640 9.623 -4.749 384 HE2 TYR 46 HE1 TYR 46 -7.258 11.879 -7.478 385 HH TYR 46 HH TYR 46 -10.304 11.650 -6.118 386 H TYR 47 H TYR 47 -6.646 11.547 -2.769 387 HA TYR 47 HA TYR 47 -5.365 13.905 -3.766 388 HB2 TYR 47 2HB TYR 47 -7.735 13.562 -4.150 389 HB3 TYR 47 1HB TYR 47 -8.047 13.470 -2.420 390 HD1 TYR 47 HD1 TYR 47 -7.051 15.760 -5.165 391 HD2 TYR 47 HD2 TYR 47 -8.392 15.443 -1.134 392 HE1 TYR 47 HE1 TYR 47 -7.461 18.185 -5.112 393 HE2 TYR 47 HE2 TYR 47 -8.806 17.862 -1.076 394 HH TYR 47 HH TYR 47 -8.035 19.885 -2.233 395 H GLN 48 H GLN 48 -5.940 12.577 -0.587 396 HA GLN 48 HA GLN 48 -5.537 15.059 0.826 397 HB2 GLN 48 2HB GLN 48 -5.616 12.218 1.876 398 HB3 GLN 48 1HB GLN 48 -5.679 13.676 2.857 399 HG2 GLN 48 2HG GLN 48 -7.740 12.822 0.828 400 HG3 GLN 48 1HG GLN 48 -7.883 12.660 2.577 401 HE21 GLN 48 1HE2 GLN 48 -6.641 15.278 3.079 402 HE22 GLN 48 2HE2 GLN 48 -7.849 16.441 2.668 403 H GLY 49 H GLY 49 -3.703 11.977 0.848 404 HA2 GLY 49 2HA GLY 49 -1.199 12.509 0.350 405 HA3 GLY 49 1HA GLY 49 -1.351 13.466 1.813 406 H ILE 50 H ILE 50 0.336 11.107 1.193 407 HA ILE 50 HA ILE 50 -0.597 9.306 3.348 408 HB ILE 50 HB ILE 50 1.087 8.545 0.948 409 HG12 ILE 50 2HG1 ILE 50 -1.811 7.866 1.548 410 HG13 ILE 50 1HG1 ILE 50 -1.284 9.059 0.367 411 HG21 ILE 50 1HG2 ILE 50 1.607 7.205 2.911 412 HG22 ILE 50 2HG2 ILE 50 0.734 6.235 1.727 413 HG23 ILE 50 3HG2 ILE 50 -0.105 6.851 3.151 414 HD11 ILE 50 3HD1 ILE 50 -0.706 6.107 0.274 415 HD12 ILE 50 1HD1 ILE 50 -0.172 7.301 -0.911 416 HD13 ILE 50 2HD1 ILE 50 -1.892 6.974 -0.701 417 H GLU 51 H GLU 51 0.763 8.926 4.995 418 HA GLU 51 HA GLU 51 3.389 10.227 5.014 419 HB2 GLU 51 2HB GLU 51 1.707 9.026 7.228 420 HB3 GLU 51 1HB GLU 51 3.288 9.756 7.473 421 HG2 GLU 51 2HG GLU 51 1.080 11.318 6.180 422 HG3 GLU 51 1HG GLU 51 1.159 11.150 7.934 423 H ILE 52 H ILE 52 5.187 9.069 4.663 424 HA ILE 52 HA ILE 52 5.043 6.131 4.862 425 HB ILE 52 HB ILE 52 7.056 7.828 3.367 426 HG12 ILE 52 2HG1 ILE 52 4.832 7.964 2.346 427 HG13 ILE 52 1HG1 ILE 52 5.915 7.025 1.328 428 HG21 ILE 52 1HG2 ILE 52 7.768 5.704 2.336 429 HG22 ILE 52 2HG2 ILE 52 6.661 4.830 3.395 430 HG23 ILE 52 3HG2 ILE 52 8.025 5.712 4.081 431 HD11 ILE 52 3HD1 ILE 52 3.814 5.907 3.173 432 HD12 ILE 52 1HD1 ILE 52 4.901 4.962 2.154 433 HD13 ILE 52 2HD1 ILE 52 3.709 6.032 1.418 434 H GLN 53 H GLN 53 5.542 5.776 7.033 435 HA GLN 53 HA GLN 53 8.085 6.743 8.083 436 HB2 GLN 53 2HB GLN 53 6.007 4.872 9.248 437 HB3 GLN 53 1HB GLN 53 7.488 5.322 10.074 438 HG2 GLN 53 2HG GLN 53 5.665 6.624 10.931 439 HG3 GLN 53 1HG GLN 53 6.764 7.681 10.048 440 HE21 GLN 53 1HE2 GLN 53 3.670 6.060 9.960 441 HE22 GLN 53 2HE2 GLN 53 2.963 7.068 8.752 442 H GLN 54 H GLN 54 9.507 5.820 6.577 443 HA GLN 54 HA GLN 54 9.518 2.943 6.165 444 HB2 GLN 54 2HB GLN 54 11.342 3.452 4.538 445 HB3 GLN 54 1HB GLN 54 9.832 4.290 4.212 446 HG2 GLN 54 2HG GLN 54 10.805 6.302 5.350 447 HG3 GLN 54 1HG GLN 54 12.342 5.443 5.415 448 HE21 GLN 54 1HE2 GLN 54 11.680 7.917 4.040 449 HE22 GLN 54 2HE2 GLN 54 12.043 7.647 2.375 450 H HIS 55 H HIS 55 11.196 1.516 6.716 451 HA HIS 55 HA HIS 55 12.948 2.511 8.889 452 HB2 HIS 55 2HB HIS 55 11.535 -0.160 8.865 453 HB3 HIS 55 1HB HIS 55 12.460 0.541 10.188 454 HD1 HIS 55 HD1 HIS 55 11.339 2.833 11.207 455 HD2 HIS 55 HD2 HIS 55 8.878 0.338 8.975 456 HE1 HIS 55 HE1 HIS 55 8.994 3.484 11.813 457 HE2 HIS 55 HE2 HIS 55 7.532 1.868 10.567 458 H LYS 56 H LYS 56 12.727 0.373 6.121 459 HA LYS 56 HA LYS 56 14.995 -1.248 6.903 460 HB2 LYS 56 2HB LYS 56 13.168 -1.199 4.518 461 HB3 LYS 56 1HB LYS 56 14.643 -2.146 4.476 462 HG2 LYS 56 2HG LYS 56 13.833 -3.262 6.599 463 HG3 LYS 56 1HG LYS 56 12.276 -2.486 6.290 464 HD2 LYS 56 2HD LYS 56 12.246 -3.563 4.043 465 HD3 LYS 56 1HD LYS 56 13.735 -4.410 4.465 466 HE2 LYS 56 2HE LYS 56 11.062 -4.670 5.859 467 HE3 LYS 56 1HE LYS 56 11.801 -5.857 4.789 468 HZ1 LYS 56 3HZ LYS 56 12.917 -4.968 7.389 469 HZ2 LYS 56 1HZ LYS 56 13.586 -6.148 6.377 470 HZ3 LYS 56 2HZ LYS 56 12.089 -6.415 7.128 471 H TYR 57 H TYR 57 16.235 -1.665 4.437 472 HA TYR 57 HA TYR 57 18.220 0.252 4.206 473 HB2 TYR 57 2HB TYR 57 17.192 -1.893 2.357 474 HB3 TYR 57 1HB TYR 57 18.584 -0.897 1.924 475 HD1 TYR 57 HD2 TYR 57 17.344 -3.041 4.727 476 HD2 TYR 57 HD1 TYR 57 20.704 -1.680 2.496 477 HE1 TYR 57 HE2 TYR 57 18.791 -4.585 5.979 478 HE2 TYR 57 HE1 TYR 57 22.162 -3.222 3.740 479 HH TYR 57 HH TYR 57 22.177 -4.399 5.914 480 H GLN 58 H GLN 58 16.643 2.195 4.204 481 HA GLN 58 HA GLN 58 15.309 2.722 1.679 482 HB2 GLN 58 2HB GLN 58 15.519 4.530 4.089 483 HB3 GLN 58 1HB GLN 58 14.384 4.673 2.754 484 HG2 GLN 58 2HG GLN 58 14.445 2.588 4.921 485 HG3 GLN 58 1HG GLN 58 13.197 3.784 4.601 486 HE21 GLN 58 1HE2 GLN 58 13.309 3.261 1.680 487 HE22 GLN 58 2HE2 GLN 58 12.524 1.747 1.459 488 H ASN 59 H ASN 59 18.322 3.492 3.162 489 HA ASN 59 HA ASN 59 18.922 5.840 1.653 490 HB2 ASN 59 2HB ASN 59 20.765 3.840 2.983 491 HB3 ASN 59 1HB ASN 59 21.286 5.376 2.298 492 HD21 ASN 59 1HD2 ASN 59 21.544 4.508 5.006 493 HD22 ASN 59 2HD2 ASN 59 20.665 5.629 5.979 494 H GLU 60 H GLU 60 18.574 2.637 0.696 495 HA GLU 60 HA GLU 60 20.247 3.091 -1.692 496 HB2 GLU 60 2HB GLU 60 20.868 1.141 -0.230 497 HB3 GLU 60 1HB GLU 60 19.320 0.412 -0.639 498 HG2 GLU 60 2HG GLU 60 19.920 0.145 -2.900 499 HG3 GLU 60 1HG GLU 60 21.299 1.233 -2.746 500 H LEU 61 H LEU 61 17.068 2.010 -0.560 501 HA LEU 61 HA LEU 61 16.032 2.689 -3.232 502 HB2 LEU 61 2HB LEU 61 14.288 0.916 -2.940 503 HB3 LEU 61 1HB LEU 61 15.919 0.327 -3.173 504 HG LEU 61 HG LEU 61 15.911 0.189 -0.527 505 HD11 LEU 61 1HD1 LEU 61 13.738 -0.469 0.362 506 HD12 LEU 61 2HD1 LEU 61 12.978 -0.069 -1.179 507 HD13 LEU 61 3HD1 LEU 61 13.720 1.199 -0.205 508 HD21 LEU 61 3HD2 LEU 61 16.255 -1.694 -2.033 509 HD22 LEU 61 1HD2 LEU 61 14.515 -1.819 -2.297 510 HD23 LEU 61 2HD2 LEU 61 15.193 -2.143 -0.700 511 H ASP 62 H ASP 62 14.470 4.184 -3.248 512 HA ASP 62 HA ASP 62 13.509 5.200 -0.673 513 HB2 ASP 62 2HB ASP 62 14.577 6.636 -2.529 514 HB3 ASP 62 1HB ASP 62 13.048 6.461 -3.382 515 H ILE 63 H ILE 63 11.435 4.963 0.020 516 HA ILE 63 HA ILE 63 9.568 3.528 -1.757 517 HB ILE 63 HB ILE 63 9.712 3.667 1.259 518 HG12 ILE 63 2HG1 ILE 63 10.054 1.374 -0.695 519 HG13 ILE 63 1HG1 ILE 63 11.346 2.172 0.194 520 HG21 ILE 63 1HG2 ILE 63 7.365 3.667 0.603 521 HG22 ILE 63 2HG2 ILE 63 7.806 2.106 1.293 522 HG23 ILE 63 3HG2 ILE 63 7.640 2.281 -0.454 523 HD11 ILE 63 3HD1 ILE 63 10.779 0.053 1.206 524 HD12 ILE 63 1HD1 ILE 63 9.101 0.561 1.387 525 HD13 ILE 63 2HD1 ILE 63 10.374 1.379 2.295 526 H LYS 64 H LYS 64 7.977 4.649 -2.618 527 HA LYS 64 HA LYS 64 6.466 6.577 -0.995 528 HB2 LYS 64 2HB LYS 64 7.508 7.133 -3.788 529 HB3 LYS 64 1HB LYS 64 6.327 8.129 -2.955 530 HG2 LYS 64 2HG LYS 64 9.158 7.645 -2.026 531 HG3 LYS 64 1HG LYS 64 8.596 9.076 -2.893 532 HD2 LYS 64 2HD LYS 64 7.656 8.156 -0.165 533 HD3 LYS 64 1HD LYS 64 8.750 9.501 -0.485 534 HE2 LYS 64 2HE LYS 64 5.844 9.291 -1.276 535 HE3 LYS 64 1HE LYS 64 6.540 10.367 -0.067 536 HZ1 LYS 64 3HZ LYS 64 7.820 11.420 -1.872 537 HZ2 LYS 64 1HZ LYS 64 6.148 11.580 -2.066 538 HZ3 LYS 64 2HZ LYS 64 7.001 10.458 -2.996 539 H ILE 65 H ILE 65 4.247 6.512 -1.383 540 HA ILE 65 HA ILE 65 3.329 4.354 -3.137 541 HB ILE 65 HB ILE 65 1.767 5.957 -1.095 542 HG12 ILE 65 2HG1 ILE 65 2.911 3.149 -0.970 543 HG13 ILE 65 1HG1 ILE 65 3.487 4.540 -0.059 544 HG21 ILE 65 1HG2 ILE 65 0.037 4.223 -1.366 545 HG22 ILE 65 2HG2 ILE 65 0.985 3.490 -2.659 546 HG23 ILE 65 3HG2 ILE 65 0.318 5.109 -2.865 547 HD11 ILE 65 3HD1 ILE 65 0.780 3.250 0.220 548 HD12 ILE 65 1HD1 ILE 65 1.366 4.633 1.143 549 HD13 ILE 65 2HD1 ILE 65 2.145 3.061 1.321 550 H ILE 66 H ILE 66 2.271 4.655 -4.997 551 HA ILE 66 HA ILE 66 1.773 7.336 -5.998 552 HB ILE 66 HB ILE 66 1.179 4.702 -7.370 553 HG12 ILE 66 2HG1 ILE 66 3.730 6.343 -7.480 554 HG13 ILE 66 1HG1 ILE 66 3.551 4.786 -6.681 555 HG21 ILE 66 1HG2 ILE 66 0.100 6.632 -8.393 556 HG22 ILE 66 2HG2 ILE 66 1.383 6.021 -9.435 557 HG23 ILE 66 3HG2 ILE 66 1.646 7.478 -8.475 558 HD11 ILE 66 3HD1 ILE 66 4.651 4.528 -8.813 559 HD12 ILE 66 1HD1 ILE 66 3.304 5.313 -9.636 560 HD13 ILE 66 2HD1 ILE 66 3.070 3.749 -8.854 561 H ASN 67 H ASN 67 -0.236 4.374 -6.069 562 HA ASN 67 HA ASN 67 -2.473 5.685 -4.812 563 HB2 ASN 67 2HB ASN 67 -4.040 5.351 -6.712 564 HB3 ASN 67 1HB ASN 67 -2.782 6.526 -7.074 565 HD21 ASN 67 1HD2 ASN 67 -4.091 3.419 -7.843 566 HD22 ASN 67 2HD2 ASN 67 -3.110 3.137 -9.238 567 H PHE 68 H PHE 68 -4.520 4.019 -5.326 568 HA PHE 68 HA PHE 68 -3.493 1.411 -4.390 569 HB2 PHE 68 2HB PHE 68 -6.157 2.682 -3.704 570 HB3 PHE 68 1HB PHE 68 -5.460 1.228 -2.993 571 HD1 PHE 68 HD2 PHE 68 -3.562 1.394 -1.433 572 HD2 PHE 68 HD1 PHE 68 -5.452 4.868 -3.013 573 HE1 PHE 68 HE2 PHE 68 -2.484 2.772 0.301 574 HE2 PHE 68 HE1 PHE 68 -4.375 6.245 -1.287 575 HZ PHE 68 HZ PHE 68 -2.890 5.200 0.375 576 H LEU 69 H LEU 69 -4.291 -0.461 -5.271 577 HA LEU 69 HA LEU 69 -6.410 -0.228 -7.326 578 HB2 LEU 69 2HB LEU 69 -3.906 -1.923 -7.440 579 HB3 LEU 69 1HB LEU 69 -5.265 -2.128 -8.524 580 HG LEU 69 HG LEU 69 -4.877 0.305 -9.231 581 HD11 LEU 69 1HD1 LEU 69 -2.228 -0.195 -7.880 582 HD12 LEU 69 2HD1 LEU 69 -3.445 0.979 -7.381 583 HD13 LEU 69 3HD1 LEU 69 -2.618 1.172 -8.924 584 HD21 LEU 69 3HD2 LEU 69 -4.341 -1.593 -10.658 585 HD22 LEU 69 1HD2 LEU 69 -2.780 -1.778 -9.854 586 HD23 LEU 69 2HD2 LEU 69 -3.115 -0.335 -10.812 587 H TYR 70 H TYR 70 -7.718 -2.111 -7.673 588 HA TYR 70 HA TYR 70 -7.997 -3.792 -5.295 589 HB2 TYR 70 2HB TYR 70 -9.802 -3.477 -7.712 590 HB3 TYR 70 1HB TYR 70 -10.155 -4.494 -6.318 591 HD1 TYR 70 HD1 TYR 70 -9.438 -2.851 -4.047 592 HD2 TYR 70 HD2 TYR 70 -11.317 -1.701 -7.690 593 HE1 TYR 70 HE1 TYR 70 -10.494 -0.956 -2.893 594 HE2 TYR 70 HE2 TYR 70 -12.377 0.205 -6.549 595 HH TYR 70 HH TYR 70 -11.433 1.281 -3.489 596 HA PRO 71 HA PRO 71 -5.822 -7.115 -7.264 597 HB2 PRO 71 2HB PRO 71 -6.403 -9.122 -5.561 598 HB3 PRO 71 1HB PRO 71 -5.397 -7.751 -5.079 599 HG2 PRO 71 2HG PRO 71 -8.324 -8.209 -4.579 600 HG3 PRO 71 1HG PRO 71 -7.069 -7.687 -3.437 601 HD2 PRO 71 2HD PRO 71 -8.766 -5.942 -4.642 602 HD3 PRO 71 1HD PRO 71 -7.100 -5.506 -4.206 603 H ASP 72 H ASP 72 -8.313 -6.609 -8.601 604 HA ASP 72 HA ASP 72 -8.805 -9.057 -9.894 605 HB2 ASP 72 2HB ASP 72 -9.982 -9.756 -7.914 606 HB3 ASP 72 1HB ASP 72 -10.866 -8.235 -7.837 607 H GLY 73 H GLY 73 -10.676 -6.181 -8.910 608 HA2 GLY 73 2HA GLY 73 -10.853 -4.464 -10.800 609 HA3 GLY 73 1HA GLY 73 -11.480 -5.816 -11.735 610 H ASP 74 H ASP 74 -12.897 -6.934 -9.409 611 HA ASP 74 HA ASP 74 -15.223 -5.162 -9.402 612 HB2 ASP 74 2HB ASP 74 -15.616 -7.516 -9.893 613 HB3 ASP 74 1HB ASP 74 -14.843 -7.992 -8.384 614 H PHE 75 H PHE 75 -16.018 -4.140 -7.608 615 HA PHE 75 HA PHE 75 -14.275 -3.519 -5.484 616 HB2 PHE 75 2HB PHE 75 -16.250 -2.366 -4.483 617 HB3 PHE 75 1HB PHE 75 -15.960 -1.931 -6.161 618 HD1 PHE 75 HD1 PHE 75 -17.461 -2.779 -7.941 619 HD2 PHE 75 HD2 PHE 75 -18.259 -3.480 -3.815 620 HE1 PHE 75 HE1 PHE 75 -19.784 -3.365 -8.492 621 HE2 PHE 75 HE2 PHE 75 -20.582 -4.068 -4.366 622 HZ PHE 75 HZ PHE 75 -21.347 -4.010 -6.705 623 H GLY 76 H GLY 76 -16.964 -5.812 -5.702 624 HA2 GLY 76 2HA GLY 76 -17.101 -6.468 -2.947 625 HA3 GLY 76 1HA GLY 76 -17.690 -7.460 -4.273 626 H SER 77 H SER 77 -15.273 -7.902 -5.630 627 HA SER 77 HA SER 77 -14.200 -10.128 -4.369 628 HB2 SER 77 2HB SER 77 -12.828 -8.328 -6.386 629 HB3 SER 77 1HB SER 77 -12.321 -9.965 -5.974 630 HG SER 77 HG SER 77 -13.926 -9.354 -7.869 631 H ALA 78 H ALA 78 -13.042 -6.779 -4.237 632 HA ALA 78 HA ALA 78 -10.720 -7.435 -2.643 633 HB1 ALA 78 3HB ALA 78 -10.696 -5.558 -4.218 634 HB2 ALA 78 1HB ALA 78 -10.345 -5.026 -2.574 635 HB3 ALA 78 2HB ALA 78 -11.941 -4.744 -3.271 636 H ASN 79 H ASN 79 -13.828 -5.811 -2.036 637 HA ASN 79 HA ASN 79 -13.311 -5.204 0.682 638 HB2 ASN 79 2HB ASN 79 -15.883 -5.329 -0.904 639 HB3 ASN 79 1HB ASN 79 -15.806 -4.786 0.772 640 HD21 ASN 79 1HD2 ASN 79 -16.599 -2.754 0.062 641 HD22 ASN 79 2HD2 ASN 79 -15.540 -1.611 -0.685 642 H LYS 80 H LYS 80 -14.634 -8.084 -0.840 643 HA LYS 80 HA LYS 80 -15.972 -9.114 1.437 644 HB2 LYS 80 2HB LYS 80 -16.076 -11.224 0.267 645 HB3 LYS 80 1HB LYS 80 -16.392 -9.923 -0.869 646 HG2 LYS 80 2HG LYS 80 -14.105 -10.102 -1.720 647 HG3 LYS 80 1HG LYS 80 -13.777 -11.399 -0.569 648 HD2 LYS 80 2HD LYS 80 -15.828 -11.469 -2.792 649 HD3 LYS 80 1HD LYS 80 -14.269 -12.293 -2.793 650 HE2 LYS 80 2HE LYS 80 -14.987 -13.605 -0.827 651 HE3 LYS 80 1HE LYS 80 -16.558 -12.806 -0.886 652 HZ1 LYS 80 3HZ LYS 80 -16.833 -13.724 -3.145 653 HZ2 LYS 80 1HZ LYS 80 -16.707 -14.924 -1.962 654 HZ3 LYS 80 2HZ LYS 80 -15.391 -14.576 -2.958 655 H ASN 81 H ASN 81 -12.682 -9.698 0.194 656 HA ASN 81 HA ASN 81 -12.066 -11.285 2.579 657 HB2 ASN 81 2HB ASN 81 -11.398 -12.081 0.299 658 HB3 ASN 81 1HB ASN 81 -10.314 -10.701 0.176 659 HD21 ASN 81 1HD2 ASN 81 -10.877 -12.535 3.117 660 HD22 ASN 81 2HD2 ASN 81 -9.289 -13.203 3.209 661 H GLY 82 H GLY 82 -11.837 -8.083 1.507 662 HA2 GLY 82 2HA GLY 82 -10.928 -6.211 2.498 663 HA3 GLY 82 1HA GLY 82 -10.410 -7.229 3.833 664 H THR 83 H THR 83 -9.585 -7.214 0.374 665 HA THR 83 HA THR 83 -6.725 -7.006 1.119 666 HB THR 83 HB THR 83 -6.206 -8.241 -0.964 667 HG1 THR 83 HG1 THR 83 -8.546 -7.637 -1.757 668 HG21 THR 83 3HG2 THR 83 -6.389 -9.502 1.110 669 HG22 THR 83 1HG2 THR 83 -7.003 -10.458 -0.237 670 HG23 THR 83 2HG2 THR 83 -8.128 -9.678 0.876 671 H LEU 84 H LEU 84 -5.403 -5.613 -0.029 672 HA LEU 84 HA LEU 84 -6.559 -4.046 -2.229 673 HB2 LEU 84 2HB LEU 84 -7.006 -2.846 -0.077 674 HB3 LEU 84 1HB LEU 84 -5.277 -2.773 0.203 675 HG LEU 84 HG LEU 84 -5.039 -1.404 -1.872 676 HD11 LEU 84 1HD1 LEU 84 -7.022 -2.140 -3.067 677 HD12 LEU 84 2HD1 LEU 84 -7.051 -0.392 -2.853 678 HD13 LEU 84 3HD1 LEU 84 -8.060 -1.420 -1.836 679 HD21 LEU 84 3HD2 LEU 84 -5.175 -0.344 0.331 680 HD22 LEU 84 1HD2 LEU 84 -6.934 -0.285 0.202 681 HD23 LEU 84 2HD2 LEU 84 -5.933 0.655 -0.908 682 H LYS 85 H LYS 85 -4.973 -3.020 -3.582 683 HA LYS 85 HA LYS 85 -2.267 -4.163 -3.301 684 HB2 LYS 85 2HB LYS 85 -3.666 -3.141 -5.786 685 HB3 LYS 85 1HB LYS 85 -2.042 -3.816 -5.734 686 HG2 LYS 85 2HG LYS 85 -2.996 -5.962 -4.953 687 HG3 LYS 85 1HG LYS 85 -4.611 -5.269 -5.111 688 HD2 LYS 85 2HD LYS 85 -4.105 -6.603 -7.067 689 HD3 LYS 85 1HD LYS 85 -4.191 -4.901 -7.521 690 HE2 LYS 85 2HE LYS 85 -1.781 -4.745 -7.562 691 HE3 LYS 85 1HE LYS 85 -1.627 -6.391 -6.949 692 HZ1 LYS 85 3HZ LYS 85 -2.784 -7.138 -8.994 693 HZ2 LYS 85 1HZ LYS 85 -1.279 -6.423 -9.288 694 HZ3 LYS 85 2HZ LYS 85 -2.701 -5.559 -9.582 695 H LEU 86 H LEU 86 -0.613 -2.869 -2.889 696 HA LEU 86 HA LEU 86 -0.962 0.045 -3.015 697 HB2 LEU 86 2HB LEU 86 1.219 -1.630 -1.743 698 HB3 LEU 86 1HB LEU 86 1.149 0.118 -1.699 699 HG LEU 86 HG LEU 86 0.421 -0.711 0.423 700 HD11 LEU 86 1HD1 LEU 86 -0.771 1.237 -0.411 701 HD12 LEU 86 2HD1 LEU 86 -1.814 0.236 0.599 702 HD13 LEU 86 3HD1 LEU 86 -1.982 0.194 -1.157 703 HD21 LEU 86 3HD2 LEU 86 -0.190 -2.983 -0.243 704 HD22 LEU 86 1HD2 LEU 86 -1.638 -2.366 -1.038 705 HD23 LEU 86 2HD2 LEU 86 -1.465 -2.226 0.711 706 H SER 87 H SER 87 -0.167 1.145 -4.732 707 HA SER 87 HA SER 87 1.913 -0.023 -6.417 708 HB2 SER 87 2HB SER 87 0.339 2.555 -6.653 709 HB3 SER 87 1HB SER 87 1.601 2.078 -7.787 710 HG SER 87 HG SER 87 -0.340 1.408 -8.617 711 H LEU 88 H LEU 88 3.883 0.078 -5.402 712 HA LEU 88 HA LEU 88 4.763 2.615 -4.228 713 HB2 LEU 88 2HB LEU 88 5.919 -0.166 -4.244 714 HB3 LEU 88 1HB LEU 88 6.873 1.210 -3.733 715 HG LEU 88 HG LEU 88 5.986 0.068 -1.801 716 HD11 LEU 88 1HD1 LEU 88 4.562 2.685 -2.239 717 HD12 LEU 88 2HD1 LEU 88 6.219 2.484 -1.669 718 HD13 LEU 88 3HD1 LEU 88 4.874 1.914 -0.683 719 HD21 LEU 88 3HD2 LEU 88 3.597 -0.115 -1.367 720 HD22 LEU 88 1HD2 LEU 88 4.035 -0.977 -2.840 721 HD23 LEU 88 2HD2 LEU 88 3.241 0.597 -2.942 722 H MET 89 H MET 89 6.028 4.039 -5.281 723 HA MET 89 HA MET 89 7.458 3.193 -7.700 724 HB2 MET 89 2HB MET 89 8.011 5.635 -7.927 725 HB3 MET 89 1HB MET 89 6.292 5.276 -7.970 726 HG2 MET 89 2HG MET 89 5.974 6.107 -5.769 727 HG3 MET 89 1HG MET 89 7.709 6.193 -5.479 728 HE1 MET 89 3HE MET 89 5.494 8.991 -8.422 729 HE2 MET 89 1HE MET 89 4.682 7.738 -7.483 730 HE3 MET 89 2HE MET 89 5.811 7.292 -8.764 731 H LEU 90 H LEU 90 9.289 2.120 -7.160 732 HA LEU 90 HA LEU 90 10.871 2.990 -4.872 733 HB2 LEU 90 2HB LEU 90 11.145 0.617 -6.719 734 HB3 LEU 90 1HB LEU 90 12.291 0.982 -5.445 735 HG LEU 90 HG LEU 90 10.857 -0.705 -4.608 736 HD11 LEU 90 1HD1 LEU 90 9.770 0.375 -2.700 737 HD12 LEU 90 2HD1 LEU 90 9.960 1.945 -3.480 738 HD13 LEU 90 3HD1 LEU 90 11.384 1.023 -2.991 739 HD21 LEU 90 3HD2 LEU 90 8.429 -0.549 -4.570 740 HD22 LEU 90 1HD2 LEU 90 9.036 -0.468 -6.223 741 HD23 LEU 90 2HD2 LEU 90 8.500 1.002 -5.408 742 H THR 91 H THR 91 12.270 4.585 -5.157 743 HA THR 91 HA THR 91 13.639 4.935 -7.714 744 HB THR 91 HB THR 91 13.773 6.593 -5.177 745 HG1 THR 91 HG1 THR 91 12.814 7.923 -7.279 746 HG21 THR 91 3HG2 THR 91 14.961 8.260 -6.547 747 HG22 THR 91 1HG2 THR 91 14.989 7.128 -7.899 748 HG23 THR 91 2HG2 THR 91 15.878 6.760 -6.420 749 H ASP 92 H ASP 92 15.274 3.509 -8.008 750 HA ASP 92 HA ASP 92 16.980 2.502 -5.995 751 HB2 ASP 92 2HB ASP 92 17.538 2.855 -8.958 752 HB3 ASP 92 1HB ASP 92 18.466 1.844 -7.856 753 H LYS 93 H LYS 93 17.952 3.996 -4.673 754 HA LYS 93 HA LYS 93 18.729 6.577 -5.380 755 HB2 LYS 93 2HB LYS 93 19.933 4.863 -3.191 756 HB3 LYS 93 1HB LYS 93 19.997 6.618 -3.285 757 HG2 LYS 93 2HG LYS 93 17.479 4.979 -2.987 758 HG3 LYS 93 1HG LYS 93 18.314 5.815 -1.680 759 HD2 LYS 93 2HD LYS 93 17.174 7.183 -4.124 760 HD3 LYS 93 1HD LYS 93 16.333 7.044 -2.579 761 HE2 LYS 93 2HE LYS 93 18.121 8.297 -1.481 762 HE3 LYS 93 1HE LYS 93 18.995 8.409 -3.009 763 HZ1 LYS 93 3HZ LYS 93 17.729 10.425 -2.480 764 HZ2 LYS 93 1HZ LYS 93 16.291 9.536 -2.528 765 HZ3 LYS 93 2HZ LYS 93 17.222 9.715 -3.925 766 H LYS 94 H LYS 94 20.607 3.586 -5.454 767 HA LYS 94 HA LYS 94 23.062 4.920 -6.168 768 HB2 LYS 94 2HB LYS 94 23.966 2.614 -6.370 769 HB3 LYS 94 1HB LYS 94 23.199 2.936 -4.820 770 HG2 LYS 94 2HG LYS 94 21.166 1.769 -5.622 771 HG3 LYS 94 1HG LYS 94 22.014 1.382 -7.120 772 HD2 LYS 94 2HD LYS 94 23.697 0.129 -5.846 773 HD3 LYS 94 1HD LYS 94 22.857 0.524 -4.343 774 HE2 LYS 94 2HE LYS 94 20.854 -0.662 -5.205 775 HE3 LYS 94 1HE LYS 94 21.775 -1.122 -6.637 776 HZ1 LYS 94 3HZ LYS 94 23.337 -2.290 -5.161 777 HZ2 LYS 94 1HZ LYS 94 21.769 -2.910 -5.063 778 HZ3 LYS 94 2HZ LYS 94 22.358 -1.915 -3.834 779 H ASN 95 H ASN 95 20.498 3.259 -7.948 780 HA ASN 95 HA ASN 95 22.090 3.293 -10.417 781 HB2 ASN 95 2HB ASN 95 19.305 2.185 -9.968 782 HB3 ASN 95 1HB ASN 95 20.316 1.932 -11.387 783 HD21 ASN 95 1HD2 ASN 95 22.074 0.529 -11.244 784 HD22 ASN 95 2HD2 ASN 95 22.245 -0.590 -9.937 785 H ASN 96 H ASN 96 19.837 5.273 -8.863 786 HA ASN 96 HA ASN 96 18.544 7.042 -9.438 787 HB2 ASN 96 2HB ASN 96 20.353 7.057 -11.859 788 HB3 ASN 96 1HB ASN 96 19.216 8.344 -11.475 789 HD21 ASN 96 1HD2 ASN 96 19.668 8.130 -8.605 790 HD22 ASN 96 2HD2 ASN 96 21.217 8.821 -8.309 791 H GLN 97 H GLN 97 17.861 4.257 -10.436 792 HA GLN 97 HA GLN 97 16.051 4.943 -12.651 793 HB2 GLN 97 2HB GLN 97 16.983 2.280 -11.563 794 HB3 GLN 97 1HB GLN 97 15.712 2.433 -12.770 795 HG2 GLN 97 2HG GLN 97 18.556 3.383 -13.088 796 HG3 GLN 97 1HG GLN 97 17.873 1.912 -13.781 797 HE21 GLN 97 1HE2 GLN 97 19.060 4.246 -15.092 798 HE22 GLN 97 2HE2 GLN 97 17.853 4.839 -16.176 799 H VAL 98 H VAL 98 14.002 3.281 -12.435 800 HA VAL 98 HA VAL 98 12.867 3.529 -9.742 801 HB VAL 98 HB VAL 98 12.139 5.530 -10.996 802 HG11 VAL 98 1HG1 VAL 98 10.851 3.570 -12.895 803 HG12 VAL 98 2HG1 VAL 98 12.200 4.647 -13.259 804 HG13 VAL 98 3HG1 VAL 98 10.608 5.316 -12.902 805 HG21 VAL 98 3HG2 VAL 98 9.733 5.318 -10.580 806 HG22 VAL 98 1HG2 VAL 98 10.675 4.603 -9.270 807 HG23 VAL 98 2HG2 VAL 98 9.901 3.566 -10.468 808 H TYR 99 H TYR 99 11.282 2.005 -9.239 809 HA TYR 99 HA TYR 99 10.467 0.098 -11.325 810 HB2 TYR 99 2HB TYR 99 12.290 -1.023 -10.216 811 HB3 TYR 99 1HB TYR 99 11.642 -0.626 -8.629 812 HD1 TYR 99 HD2 TYR 99 10.372 -2.311 -11.750 813 HD2 TYR 99 HD1 TYR 99 10.713 -2.417 -7.503 814 HE1 TYR 99 HE2 TYR 99 9.160 -4.454 -11.707 815 HE2 TYR 99 HE1 TYR 99 9.501 -4.554 -7.452 816 HH TYR 99 HH TYR 99 8.797 -6.348 -10.333 817 H TYR 100 H TYR 100 8.329 -0.171 -11.347 818 HA TYR 100 HA TYR 100 6.698 0.795 -9.140 819 HB2 TYR 100 2HB TYR 100 5.841 -0.497 -11.749 820 HB3 TYR 100 1HB TYR 100 4.793 0.346 -10.613 821 HD1 TYR 100 HD2 TYR 100 4.953 2.812 -10.370 822 HD2 TYR 100 HD1 TYR 100 7.201 0.713 -13.318 823 HE1 TYR 100 HE2 TYR 100 5.360 4.923 -11.558 824 HE2 TYR 100 HE1 TYR 100 7.611 2.823 -14.511 825 HH TYR 100 HH TYR 100 6.638 5.033 -14.726 826 H LYS 101 H LYS 101 6.163 -0.482 -7.471 827 HA LYS 101 HA LYS 101 6.064 -3.409 -7.906 828 HB2 LYS 101 2HB LYS 101 7.930 -2.724 -6.466 829 HB3 LYS 101 1HB LYS 101 6.818 -1.887 -5.398 830 HG2 LYS 101 2HG LYS 101 7.308 -3.881 -4.292 831 HG3 LYS 101 1HG LYS 101 5.726 -4.165 -5.010 832 HD2 LYS 101 2HD LYS 101 8.279 -5.029 -6.365 833 HD3 LYS 101 1HD LYS 101 7.466 -6.043 -5.175 834 HE2 LYS 101 2HE LYS 101 5.452 -6.060 -6.561 835 HE3 LYS 101 1HE LYS 101 6.242 -5.016 -7.740 836 HZ1 LYS 101 3HZ LYS 101 7.159 -7.739 -6.999 837 HZ2 LYS 101 1HZ LYS 101 7.844 -6.740 -8.178 838 HZ3 LYS 101 2HZ LYS 101 6.284 -7.354 -8.389 839 H LEU 102 H LEU 102 4.082 -4.244 -7.786 840 HA LEU 102 HA LEU 102 1.982 -2.917 -6.251 841 HB2 LEU 102 2HB LEU 102 2.002 -5.224 -8.191 842 HB3 LEU 102 1HB LEU 102 0.599 -4.890 -7.197 843 HG LEU 102 HG LEU 102 0.301 -3.957 -9.418 844 HD11 LEU 102 1HD1 LEU 102 0.749 -1.777 -7.379 845 HD12 LEU 102 2HD1 LEU 102 -0.699 -2.773 -7.527 846 HD13 LEU 102 3HD1 LEU 102 -0.257 -1.665 -8.824 847 HD21 LEU 102 3HD2 LEU 102 1.713 -2.159 -10.276 848 HD22 LEU 102 1HD2 LEU 102 2.646 -3.634 -10.027 849 HD23 LEU 102 2HD2 LEU 102 2.772 -2.307 -8.872 850 H LEU 103 H LEU 103 1.760 -3.380 -4.154 851 HA LEU 103 HA LEU 103 2.650 -5.989 -3.132 852 HB2 LEU 103 2HB LEU 103 1.883 -3.473 -1.641 853 HB3 LEU 103 1HB LEU 103 2.496 -4.942 -0.904 854 HG LEU 103 HG LEU 103 4.018 -3.114 -2.774 855 HD11 LEU 103 1HD1 LEU 103 4.351 -3.678 0.173 856 HD12 LEU 103 2HD1 LEU 103 3.731 -2.189 -0.540 857 HD13 LEU 103 3HD1 LEU 103 5.407 -2.665 -0.812 858 HD21 LEU 103 3HD2 LEU 103 5.951 -4.555 -2.304 859 HD22 LEU 103 1HD2 LEU 103 4.670 -5.433 -3.142 860 HD23 LEU 103 2HD2 LEU 103 4.908 -5.659 -1.408 861 H GLU 104 H GLU 104 1.267 -7.502 -2.431 862 HA GLU 104 HA GLU 104 -1.608 -6.897 -2.429 863 HB2 GLU 104 2HB GLU 104 -1.868 -9.392 -2.463 864 HB3 GLU 104 1HB GLU 104 -1.025 -8.731 -3.858 865 HG2 GLU 104 2HG GLU 104 1.096 -9.454 -3.010 866 HG3 GLU 104 1HG GLU 104 0.377 -9.932 -1.475 867 H VAL 105 H VAL 105 -2.460 -6.383 -0.497 868 HA VAL 105 HA VAL 105 -1.534 -7.874 1.887 869 HB VAL 105 HB VAL 105 -1.801 -5.881 3.262 870 HG11 VAL 105 1HG1 VAL 105 -0.038 -5.385 0.856 871 HG12 VAL 105 2HG1 VAL 105 0.395 -6.310 2.294 872 HG13 VAL 105 3HG1 VAL 105 0.103 -4.576 2.419 873 HG21 VAL 105 3HG2 VAL 105 -2.436 -4.431 0.688 874 HG22 VAL 105 1HG2 VAL 105 -2.220 -3.682 2.270 875 HG23 VAL 105 2HG2 VAL 105 -3.574 -4.777 1.990 876 H SER 106 H SER 106 -3.100 -7.748 3.737 877 HA SER 106 HA SER 106 -5.915 -7.539 2.940 878 HB2 SER 106 2HB SER 106 -5.233 -9.881 2.461 879 HB3 SER 106 1HB SER 106 -4.748 -10.065 4.146 880 HG SER 106 HG SER 106 -6.855 -10.870 3.764 881 H GLY 107 H GLY 107 -7.248 -8.431 5.032 882 HA2 GLY 107 2HA GLY 107 -7.353 -8.489 7.430 883 HA3 GLY 107 1HA GLY 107 -5.987 -7.389 7.494 884 H PHE 108 H PHE 108 -7.870 -6.098 5.165 885 HA PHE 108 HA PHE 108 -8.802 -3.980 6.838 886 HB2 PHE 108 2HB PHE 108 -9.468 -4.541 3.940 887 HB3 PHE 108 1HB PHE 108 -9.723 -3.019 4.783 888 HD1 PHE 108 HD2 PHE 108 -7.582 -1.935 5.832 889 HD2 PHE 108 HD1 PHE 108 -7.519 -4.847 2.724 890 HE1 PHE 108 HE2 PHE 108 -5.327 -1.196 5.182 891 HE2 PHE 108 HE1 PHE 108 -5.266 -4.111 2.073 892 HZ PHE 108 HZ PHE 108 -4.168 -2.282 3.302 893 H LYS 109 H LYS 109 -10.350 -6.807 5.452 894 HA LYS 109 HA LYS 109 -12.779 -6.268 6.980 895 HB2 LYS 109 2HB LYS 109 -12.628 -6.252 4.007 896 HB3 LYS 109 1HB LYS 109 -13.993 -7.100 4.713 897 HG2 LYS 109 2HG LYS 109 -13.280 -4.223 5.280 898 HG3 LYS 109 1HG LYS 109 -14.496 -4.761 4.118 899 HD2 LYS 109 2HD LYS 109 -15.673 -5.925 6.001 900 HD3 LYS 109 1HD LYS 109 -14.521 -5.182 7.113 901 HE2 LYS 109 2HE LYS 109 -15.261 -2.954 6.346 902 HE3 LYS 109 1HE LYS 109 -16.449 -3.727 5.294 903 HZ1 LYS 109 3HZ LYS 109 -17.443 -4.722 7.307 904 HZ2 LYS 109 1HZ LYS 109 -17.502 -3.032 7.315 905 HZ3 LYS 109 2HZ LYS 109 -16.361 -3.844 8.262 906 H SER 110 H SER 110 -14.412 -8.190 6.471 907 HA SER 110 HA SER 110 -13.168 -10.739 5.924 908 HB2 SER 110 2HB SER 110 -13.641 -11.730 8.130 909 HB3 SER 110 1HB SER 110 -12.502 -10.393 8.278 910 HG SER 110 HG SER 110 -13.861 -9.607 9.665 911 H ASN 111 H ASN 111 -15.037 -9.898 4.393 912 HA ASN 111 HA ASN 111 -17.637 -10.940 5.356 913 HB2 ASN 111 2HB ASN 111 -17.089 -8.850 3.227 914 HB3 ASN 111 1HB ASN 111 -18.681 -9.446 3.679 915 HD21 ASN 111 1HD2 ASN 111 -19.324 -7.345 4.202 916 HD22 ASN 111 2HD2 ASN 111 -18.809 -6.586 5.663 917 HA PRO 112 HA PRO 112 -16.096 -13.692 1.852 918 HB2 PRO 112 2HB PRO 112 -17.285 -15.850 3.488 919 HB3 PRO 112 1HB PRO 112 -15.663 -15.729 2.800 920 HG2 PRO 112 2HG PRO 112 -16.087 -15.479 5.439 921 HG3 PRO 112 1HG PRO 112 -14.842 -14.528 4.603 922 HD2 PRO 112 2HD PRO 112 -17.597 -13.697 5.474 923 HD3 PRO 112 1HD PRO 112 -16.060 -12.813 5.605 924 H TYR 113 H TYR 113 -19.127 -13.709 3.629 925 HA TYR 113 HA TYR 113 -20.613 -14.275 1.145 926 HB2 TYR 113 2HB TYR 113 -22.251 -15.536 2.676 927 HB3 TYR 113 1HB TYR 113 -20.716 -16.325 2.322 928 HD1 TYR 113 HD2 TYR 113 -22.430 -14.253 4.911 929 HD2 TYR 113 HD1 TYR 113 -19.302 -17.017 4.066 930 HE1 TYR 113 HE2 TYR 113 -21.951 -14.442 7.314 931 HE2 TYR 113 HE1 TYR 113 -18.820 -17.214 6.469 932 HH TYR 113 HH TYR 113 -20.923 -16.095 8.858 933 H LEU 114 H LEU 114 -20.120 -12.119 3.643 934 HA LEU 114 HA LEU 114 -22.800 -11.382 4.277 935 HB2 LEU 114 2HB LEU 114 -20.177 -9.949 4.701 936 HB3 LEU 114 1HB LEU 114 -21.713 -9.386 5.339 937 HG LEU 114 HG LEU 114 -20.419 -12.036 6.028 938 HD11 LEU 114 1HD1 LEU 114 -19.151 -10.162 6.941 939 HD12 LEU 114 2HD1 LEU 114 -19.979 -11.059 8.213 940 HD13 LEU 114 3HD1 LEU 114 -20.622 -9.509 7.667 941 HD21 LEU 114 3HD2 LEU 114 -22.829 -12.167 6.173 942 HD22 LEU 114 1HD2 LEU 114 -22.888 -10.673 7.111 943 HD23 LEU 114 2HD2 LEU 114 -22.144 -12.118 7.797 944 H GLU 115 H GLU 115 -20.341 -9.939 2.127 945 HA GLU 115 HA GLU 115 -22.052 -7.879 1.158 946 HB2 GLU 115 2HB GLU 115 -19.599 -9.120 -0.119 947 HB3 GLU 115 1HB GLU 115 -20.398 -7.661 -0.686 948 HG2 GLU 115 2HG GLU 115 -19.035 -8.024 1.980 949 HG3 GLU 115 1HG GLU 115 -18.406 -7.129 0.598 950 H HIS 116 H HIS 116 -24.021 -8.743 0.545 951 HA HIS 116 HA HIS 116 -24.068 -10.895 -1.438 952 HB2 HIS 116 2HB HIS 116 -26.573 -10.840 -1.000 953 HB3 HIS 116 1HB HIS 116 -25.557 -11.331 0.348 954 HD1 HIS 116 HD1 HIS 116 -25.227 -9.526 2.274 955 HD2 HIS 116 HD2 HIS 116 -28.171 -8.643 -0.525 956 HE1 HIS 116 HE1 HIS 116 -26.637 -7.740 3.324 957 HE2 HIS 116 HE2 HIS 116 -28.314 -7.111 1.559 958 H HIS 117 H HIS 117 -23.135 -9.374 -3.018 959 HA HIS 117 HA HIS 117 -24.988 -7.414 -4.142 960 HB2 HIS 117 2HB HIS 117 -22.599 -6.819 -3.916 961 HB3 HIS 117 1HB HIS 117 -22.168 -8.154 -4.980 962 HD1 HIS 117 HD1 HIS 117 -22.267 -7.721 -7.480 963 HD2 HIS 117 HD2 HIS 117 -23.978 -4.668 -5.234 964 HE1 HIS 117 HE1 HIS 117 -22.730 -5.866 -9.104 965 HE2 HIS 117 HE2 HIS 117 -23.884 -4.090 -7.750 966 H HIS 118 H HIS 118 -26.623 -8.674 -5.061 967 HA HIS 118 HA HIS 118 -27.688 -9.697 -6.793 968 HB2 HIS 118 2HB HIS 118 -26.347 -8.262 -8.230 969 HB3 HIS 118 1HB HIS 118 -25.004 -9.392 -8.158 970 HD1 HIS 118 HD1 HIS 118 -24.965 -11.236 -9.865 971 HD2 HIS 118 HD2 HIS 118 -28.605 -9.239 -9.762 972 HE1 HIS 118 HE1 HIS 118 -26.253 -12.091 -11.835 973 HE2 HIS 118 HE2 HIS 118 -28.440 -10.860 -11.768 974 H HIS 119 H HIS 119 -25.496 -11.244 -4.942 975 HA HIS 119 HA HIS 119 -26.025 -13.838 -6.181 976 HB2 HIS 119 2HB HIS 119 -23.805 -12.833 -7.023 977 HB3 HIS 119 1HB HIS 119 -23.194 -13.139 -5.402 978 HD1 HIS 119 HD1 HIS 119 -24.640 -14.998 -8.359 979 HD2 HIS 119 HD2 HIS 119 -22.341 -15.716 -4.978 980 HE1 HIS 119 HE1 HIS 119 -23.836 -17.353 -8.589 981 HE2 HIS 119 HE2 HIS 119 -22.652 -17.836 -6.429 982 H HIS 120 H HIS 120 -26.614 -15.276 -4.674 983 HA HIS 120 HA HIS 120 -25.642 -14.928 -1.904 984 HB2 HIS 120 2HB HIS 120 -28.079 -14.493 -2.195 985 HB3 HIS 120 1HB HIS 120 -28.276 -16.148 -2.763 986 HD1 HIS 120 HD1 HIS 120 -26.790 -14.467 0.325 987 HD2 HIS 120 HD2 HIS 120 -29.056 -17.783 -0.749 988 HE1 HIS 120 HE1 HIS 120 -27.345 -15.628 2.475 989 HE2 HIS 120 HE2 HIS 120 -28.622 -17.684 1.801 990 H HIS 121 H HIS 121 -26.584 -17.322 -4.361 991 HA HIS 121 HA HIS 121 -24.803 -19.266 -3.018 992 HB2 HIS 121 2HB HIS 121 -27.296 -19.784 -4.656 993 HB3 HIS 121 1HB HIS 121 -26.153 -21.046 -4.206 994 HD1 HIS 121 HD1 HIS 121 -25.705 -20.940 -1.384 995 HD2 HIS 121 HD2 HIS 121 -29.367 -19.719 -2.927 996 HE1 HIS 121 HE1 HIS 121 -27.324 -21.096 0.526 997 HE2 HIS 121 HE2 HIS 121 -29.548 -20.448 -0.452 Start of MODEL 3 1 H1 MET 1 1H MET 1 23.054 -16.493 5.469 2 H2 MET 1 2H MET 1 24.580 -16.236 4.788 3 H3 MET 1 3H MET 1 23.228 -15.444 4.153 4 HA MET 1 HA MET 1 22.952 -14.157 6.129 5 HB2 MET 1 2HB MET 1 23.832 -16.004 7.618 6 HB3 MET 1 1HB MET 1 25.457 -15.518 7.156 7 HG2 MET 1 2HG MET 1 25.088 -13.315 8.126 8 HG3 MET 1 1HG MET 1 23.439 -13.772 8.558 9 HE1 MET 1 3HE MET 1 25.235 -13.628 12.041 10 HE2 MET 1 1HE MET 1 23.870 -13.052 11.085 11 HE3 MET 1 2HE MET 1 25.511 -12.570 10.657 12 H LEU 2 H LEU 2 23.771 -12.068 5.959 13 HA LEU 2 HA LEU 2 24.798 -10.347 4.874 14 HB2 LEU 2 2HB LEU 2 27.155 -12.131 5.457 15 HB3 LEU 2 1HB LEU 2 27.367 -10.629 4.584 16 HG LEU 2 HG LEU 2 27.916 -10.241 6.881 17 HD11 LEU 2 1HD1 LEU 2 25.192 -9.069 6.316 18 HD12 LEU 2 2HD1 LEU 2 26.734 -8.436 5.739 19 HD13 LEU 2 3HD1 LEU 2 26.380 -8.451 7.465 20 HD21 LEU 2 3HD2 LEU 2 25.185 -11.316 7.595 21 HD22 LEU 2 1HD2 LEU 2 26.347 -10.605 8.717 22 HD23 LEU 2 2HD2 LEU 2 26.730 -12.115 7.893 23 H SER 3 H SER 3 23.409 -11.408 3.070 24 HA SER 3 HA SER 3 25.053 -12.446 0.862 25 HB2 SER 3 2HB SER 3 22.975 -13.204 -0.143 26 HB3 SER 3 1HB SER 3 23.022 -13.727 1.539 27 HG SER 3 HG SER 3 21.063 -12.515 0.467 28 H GLN 4 H GLN 4 25.371 -11.378 -1.008 29 HA GLN 4 HA GLN 4 23.582 -9.170 -1.740 30 HB2 GLN 4 2HB GLN 4 26.603 -9.007 -1.704 31 HB3 GLN 4 1HB GLN 4 25.591 -7.880 -2.594 32 HG2 GLN 4 2HG GLN 4 24.498 -7.244 -0.464 33 HG3 GLN 4 1HG GLN 4 25.623 -8.298 0.391 34 HE21 GLN 4 1HE2 GLN 4 25.242 -5.398 0.594 35 HE22 GLN 4 2HE2 GLN 4 26.783 -4.694 0.249 36 H ALA 5 H ALA 5 22.620 -10.305 -3.378 37 HA ALA 5 HA ALA 5 24.251 -10.744 -5.769 38 HB1 ALA 5 3HB ALA 5 22.343 -12.842 -4.714 39 HB2 ALA 5 1HB ALA 5 24.103 -12.949 -4.686 40 HB3 ALA 5 2HB ALA 5 23.248 -12.921 -6.227 41 H ASN 6 H ASN 6 22.796 -11.174 -7.717 42 HA ASN 6 HA ASN 6 21.195 -8.946 -8.124 43 HB2 ASN 6 2HB ASN 6 21.279 -11.577 -9.606 44 HB3 ASN 6 1HB ASN 6 20.333 -10.201 -10.161 45 HD21 ASN 6 1HD2 ASN 6 23.430 -9.760 -8.597 46 HD22 ASN 6 2HD2 ASN 6 24.285 -9.287 -10.019 47 H GLU 7 H GLU 7 20.102 -12.274 -7.398 48 HA GLU 7 HA GLU 7 17.340 -11.642 -7.414 49 HB2 GLU 7 2HB GLU 7 16.994 -13.776 -6.278 50 HB3 GLU 7 1HB GLU 7 18.126 -13.953 -7.609 51 HG2 GLU 7 2HG GLU 7 19.957 -14.217 -6.178 52 HG3 GLU 7 1HG GLU 7 19.090 -13.552 -4.795 53 H ASP 8 H ASP 8 19.758 -11.574 -4.807 54 HA ASP 8 HA ASP 8 17.911 -11.273 -2.687 55 HB2 ASP 8 2HB ASP 8 20.836 -10.540 -2.898 56 HB3 ASP 8 1HB ASP 8 19.904 -10.372 -1.412 57 H PHE 9 H PHE 9 19.523 -8.869 -4.750 58 HA PHE 9 HA PHE 9 18.653 -6.578 -3.349 59 HB2 PHE 9 2HB PHE 9 19.422 -7.002 -6.238 60 HB3 PHE 9 1HB PHE 9 18.944 -5.423 -5.622 61 HD1 PHE 9 HD1 PHE 9 20.250 -4.509 -3.600 62 HD2 PHE 9 HD2 PHE 9 21.655 -7.698 -6.056 63 HE1 PHE 9 HE1 PHE 9 22.547 -4.095 -2.825 64 HE2 PHE 9 HE2 PHE 9 23.953 -7.285 -5.277 65 HZ PHE 9 HZ PHE 9 24.401 -5.479 -3.663 66 H LYS 10 H LYS 10 17.161 -8.205 -6.187 67 HA LYS 10 HA LYS 10 14.837 -6.571 -6.199 68 HB2 LYS 10 2HB LYS 10 13.871 -8.154 -7.723 69 HB3 LYS 10 1HB LYS 10 15.580 -8.020 -8.112 70 HG2 LYS 10 2HG LYS 10 16.036 -10.122 -6.989 71 HG3 LYS 10 1HG LYS 10 14.349 -10.247 -6.490 72 HD2 LYS 10 2HD LYS 10 14.771 -11.672 -8.419 73 HD3 LYS 10 1HD LYS 10 13.670 -10.367 -8.858 74 HE2 LYS 10 2HE LYS 10 15.522 -9.135 -9.872 75 HE3 LYS 10 1HE LYS 10 16.641 -10.412 -9.401 76 HZ1 LYS 10 3HZ LYS 10 15.489 -11.941 -10.835 77 HZ2 LYS 10 1HZ LYS 10 15.948 -10.576 -11.723 78 HZ3 LYS 10 2HZ LYS 10 14.341 -10.767 -11.239 79 H LYS 11 H LYS 11 15.681 -9.527 -4.527 80 HA LYS 11 HA LYS 11 13.243 -10.368 -3.502 81 HB2 LYS 11 2HB LYS 11 15.434 -11.550 -3.350 82 HB3 LYS 11 1HB LYS 11 15.927 -10.409 -2.111 83 HG2 LYS 11 2HG LYS 11 14.157 -11.223 -0.637 84 HG3 LYS 11 1HG LYS 11 13.631 -12.352 -1.892 85 HD2 LYS 11 2HD LYS 11 16.324 -12.325 -0.512 86 HD3 LYS 11 1HD LYS 11 15.036 -13.508 -0.273 87 HE2 LYS 11 2HE LYS 11 15.280 -14.322 -2.526 88 HE3 LYS 11 1HE LYS 11 16.404 -13.026 -2.927 89 HZ1 LYS 11 3HZ LYS 11 16.921 -15.156 -0.924 90 HZ2 LYS 11 1HZ LYS 11 18.006 -13.953 -1.409 91 HZ3 LYS 11 2HZ LYS 11 17.520 -15.145 -2.506 92 H ILE 12 H ILE 12 15.543 -8.029 -2.080 93 HA ILE 12 HA ILE 12 14.217 -7.371 0.256 94 HB ILE 12 HB ILE 12 15.753 -5.507 -1.572 95 HG12 ILE 12 2HG1 ILE 12 16.650 -7.073 0.867 96 HG13 ILE 12 1HG1 ILE 12 17.043 -7.471 -0.801 97 HG21 ILE 12 1HG2 ILE 12 16.083 -4.089 0.406 98 HG22 ILE 12 2HG2 ILE 12 15.022 -5.145 1.340 99 HG23 ILE 12 3HG2 ILE 12 14.377 -4.226 -0.020 100 HD11 ILE 12 3HD1 ILE 12 17.889 -4.981 0.669 101 HD12 ILE 12 1HD1 ILE 12 18.278 -5.371 -1.007 102 HD13 ILE 12 2HD1 ILE 12 18.902 -6.376 0.300 103 H VAL 13 H VAL 13 13.656 -6.082 -3.004 104 HA VAL 13 HA VAL 13 11.656 -4.202 -2.218 105 HB VAL 13 HB VAL 13 12.086 -5.384 -4.972 106 HG11 VAL 13 1HG1 VAL 13 10.839 -2.772 -4.091 107 HG12 VAL 13 2HG1 VAL 13 9.980 -4.169 -4.743 108 HG13 VAL 13 3HG1 VAL 13 11.106 -3.272 -5.762 109 HG21 VAL 13 3HG2 VAL 13 13.558 -3.471 -5.408 110 HG22 VAL 13 1HG2 VAL 13 14.188 -4.477 -4.104 111 HG23 VAL 13 2HG2 VAL 13 13.387 -2.950 -3.731 112 H ASN 14 H ASN 14 11.537 -7.533 -3.450 113 HA ASN 14 HA ASN 14 8.639 -7.557 -3.485 114 HB2 ASN 14 2HB ASN 14 10.684 -9.734 -3.949 115 HB3 ASN 14 1HB ASN 14 8.943 -10.001 -4.027 116 HD21 ASN 14 1HD2 ASN 14 11.681 -8.566 -5.582 117 HD22 ASN 14 2HD2 ASN 14 10.886 -8.178 -7.064 118 H ASN 15 H ASN 15 10.863 -7.781 -1.022 119 HA ASN 15 HA ASN 15 9.155 -9.513 0.636 120 HB2 ASN 15 2HB ASN 15 11.964 -8.468 0.978 121 HB3 ASN 15 1HB ASN 15 11.068 -9.118 2.345 122 HD21 ASN 15 1HD2 ASN 15 10.787 -10.329 -0.930 123 HD22 ASN 15 2HD2 ASN 15 11.513 -11.859 -0.616 124 H ILE 16 H ILE 16 8.990 -6.419 -0.211 125 HA ILE 16 HA ILE 16 8.977 -4.977 2.218 126 HB ILE 16 HB ILE 16 7.531 -4.385 -0.375 127 HG12 ILE 16 2HG1 ILE 16 10.138 -3.322 0.761 128 HG13 ILE 16 1HG1 ILE 16 9.995 -4.480 -0.556 129 HG21 ILE 16 1HG2 ILE 16 7.335 -2.081 0.444 130 HG22 ILE 16 2HG2 ILE 16 8.035 -2.567 1.987 131 HG23 ILE 16 3HG2 ILE 16 6.470 -3.207 1.489 132 HD11 ILE 16 3HD1 ILE 16 8.857 -2.783 -1.908 133 HD12 ILE 16 1HD1 ILE 16 10.469 -2.272 -1.407 134 HD13 ILE 16 2HD1 ILE 16 9.048 -1.623 -0.592 135 H ARG 17 H ARG 17 7.592 -4.953 3.838 136 HA ARG 17 HA ARG 17 4.805 -5.859 3.462 137 HB2 ARG 17 2HB ARG 17 6.046 -7.752 4.329 138 HB3 ARG 17 1HB ARG 17 6.786 -6.758 5.571 139 HG2 ARG 17 2HG ARG 17 5.109 -8.159 6.552 140 HG3 ARG 17 1HG ARG 17 4.585 -6.480 6.636 141 HD2 ARG 17 2HD ARG 17 3.053 -6.806 4.808 142 HD3 ARG 17 1HD ARG 17 3.681 -8.428 4.507 143 HE ARG 17 HE ARG 17 2.848 -8.577 7.066 144 HH11 ARG 17 1HH1 ARG 17 1.265 -7.556 4.173 145 HH12 ARG 17 2HH1 ARG 17 -0.303 -7.972 4.766 146 HH21 ARG 17 1HH2 ARG 17 0.842 -9.121 7.788 147 HH22 ARG 17 2HH2 ARG 17 -0.541 -8.850 6.782 148 H LEU 18 H LEU 18 3.330 -4.510 4.415 149 HA LEU 18 HA LEU 18 4.076 -2.015 5.403 150 HB2 LEU 18 2HB LEU 18 1.641 -1.864 6.175 151 HB3 LEU 18 1HB LEU 18 1.956 -2.108 4.471 152 HG LEU 18 HG LEU 18 1.459 -4.553 4.789 153 HD11 LEU 18 1HD1 LEU 18 0.506 -3.667 7.514 154 HD12 LEU 18 2HD1 LEU 18 1.868 -4.737 7.184 155 HD13 LEU 18 3HD1 LEU 18 0.231 -5.249 6.783 156 HD21 LEU 18 3HD2 LEU 18 -0.757 -2.642 5.534 157 HD22 LEU 18 1HD2 LEU 18 -0.955 -4.261 4.859 158 HD23 LEU 18 2HD2 LEU 18 -0.199 -2.991 3.897 159 H LYS 19 H LYS 19 3.867 -4.957 7.167 160 HA LYS 19 HA LYS 19 3.649 -3.646 9.758 161 HB2 LYS 19 2HB LYS 19 2.639 -5.937 9.055 162 HB3 LYS 19 1HB LYS 19 4.258 -6.567 9.317 163 HG2 LYS 19 2HG LYS 19 4.179 -5.823 11.642 164 HG3 LYS 19 1HG LYS 19 2.562 -5.162 11.380 165 HD2 LYS 19 2HD LYS 19 1.891 -7.526 10.672 166 HD3 LYS 19 1HD LYS 19 3.430 -8.049 11.355 167 HE2 LYS 19 2HE LYS 19 1.203 -6.635 12.821 168 HE3 LYS 19 1HE LYS 19 1.646 -8.333 12.979 169 HZ1 LYS 19 3HZ LYS 19 3.798 -7.637 13.849 170 HZ2 LYS 19 1HZ LYS 19 2.533 -7.038 14.796 171 HZ3 LYS 19 2HZ LYS 19 3.344 -6.012 13.726 172 H ASP 20 H ASP 20 6.067 -5.208 7.756 173 HA ASP 20 HA ASP 20 8.169 -4.928 9.763 174 HB2 ASP 20 2HB ASP 20 8.353 -6.995 8.699 175 HB3 ASP 20 1HB ASP 20 7.910 -6.343 7.127 176 H THR 21 H THR 21 7.767 -4.016 6.343 177 HA THR 21 HA THR 21 10.214 -2.580 6.261 178 HB THR 21 HB THR 21 7.949 -2.618 4.262 179 HG1 THR 21 HG1 THR 21 9.789 -4.487 5.005 180 HG21 THR 21 3HG2 THR 21 9.507 -0.747 3.891 181 HG22 THR 21 1HG2 THR 21 9.645 -1.965 2.623 182 HG23 THR 21 2HG2 THR 21 10.859 -1.878 3.897 183 H PHE 22 H PHE 22 6.809 -1.412 6.106 184 HA PHE 22 HA PHE 22 7.634 1.202 7.043 185 HB2 PHE 22 2HB PHE 22 7.130 2.469 5.097 186 HB3 PHE 22 1HB PHE 22 8.162 1.154 4.550 187 HD1 PHE 22 HD1 PHE 22 6.910 -0.970 3.654 188 HD2 PHE 22 HD2 PHE 22 5.146 2.897 3.975 189 HE1 PHE 22 HE1 PHE 22 5.201 -1.607 2.001 190 HE2 PHE 22 HE2 PHE 22 3.440 2.260 2.325 191 HZ PHE 22 HZ PHE 22 3.464 0.005 1.338 192 H ASP 23 H ASP 23 5.979 2.402 7.874 193 HA ASP 23 HA ASP 23 3.260 1.306 7.766 194 HB2 ASP 23 2HB ASP 23 4.039 1.897 9.981 195 HB3 ASP 23 1HB ASP 23 4.505 3.503 9.440 196 H PHE 24 H PHE 24 1.610 2.284 6.666 197 HA PHE 24 HA PHE 24 2.266 4.742 5.170 198 HB2 PHE 24 2HB PHE 24 0.560 4.077 3.547 199 HB3 PHE 24 1HB PHE 24 1.748 2.799 3.757 200 HD1 PHE 24 HD1 PHE 24 1.111 0.863 5.361 201 HD2 PHE 24 HD2 PHE 24 -1.711 3.603 3.710 202 HE1 PHE 24 HE1 PHE 24 -0.701 -0.744 5.789 203 HE2 PHE 24 HE2 PHE 24 -3.523 1.996 4.141 204 HZ PHE 24 HZ PHE 24 -3.020 -0.178 5.180 205 H LYS 25 H LYS 25 1.391 6.560 5.923 206 HA LYS 25 HA LYS 25 -1.096 6.365 7.502 207 HB2 LYS 25 2HB LYS 25 0.987 7.063 8.705 208 HB3 LYS 25 1HB LYS 25 1.039 8.497 7.690 209 HG2 LYS 25 2HG LYS 25 -0.972 9.346 8.621 210 HG3 LYS 25 1HG LYS 25 -1.319 7.820 9.435 211 HD2 LYS 25 2HD LYS 25 1.112 9.506 10.046 212 HD3 LYS 25 1HD LYS 25 -0.419 9.674 10.902 213 HE2 LYS 25 2HE LYS 25 1.019 8.270 12.211 214 HE3 LYS 25 1HE LYS 25 -0.260 7.264 11.535 215 HZ1 LYS 25 3HZ LYS 25 2.401 7.505 10.262 216 HZ2 LYS 25 1HZ LYS 25 1.222 6.323 9.990 217 HZ3 LYS 25 2HZ LYS 25 2.070 6.352 11.447 218 H LEU 26 H LEU 26 -2.819 7.636 7.021 219 HA LEU 26 HA LEU 26 -2.735 8.912 4.382 220 HB2 LEU 26 2HB LEU 26 -5.096 8.026 6.059 221 HB3 LEU 26 1HB LEU 26 -5.200 8.701 4.447 222 HG LEU 26 HG LEU 26 -5.479 6.372 4.184 223 HD11 LEU 26 1HD1 LEU 26 -2.589 6.939 3.544 224 HD12 LEU 26 2HD1 LEU 26 -3.973 7.379 2.544 225 HD13 LEU 26 3HD1 LEU 26 -3.598 5.680 2.827 226 HD21 LEU 26 3HD2 LEU 26 -3.024 5.949 5.893 227 HD22 LEU 26 1HD2 LEU 26 -3.949 4.684 5.085 228 HD23 LEU 26 2HD2 LEU 26 -4.694 5.636 6.369 229 H ALA 27 H ALA 27 -3.226 11.050 4.039 230 HA ALA 27 HA ALA 27 -3.015 12.921 6.121 231 HB1 ALA 27 3HB ALA 27 -3.608 14.600 4.447 232 HB2 ALA 27 1HB ALA 27 -4.170 13.329 3.361 233 HB3 ALA 27 2HB ALA 27 -2.464 13.427 3.793 234 H ALA 28 H ALA 28 -5.881 11.531 4.577 235 HA ALA 28 HA ALA 28 -7.790 13.205 5.871 236 HB1 ALA 28 3HB ALA 28 -8.146 10.453 4.679 237 HB2 ALA 28 1HB ALA 28 -8.300 11.983 3.814 238 HB3 ALA 28 2HB ALA 28 -9.440 11.577 5.097 239 H PHE 29 H PHE 29 -5.969 10.470 6.906 240 HA PHE 29 HA PHE 29 -7.444 10.423 9.451 241 HB2 PHE 29 2HB PHE 29 -6.425 7.965 7.997 242 HB3 PHE 29 1HB PHE 29 -7.188 7.979 9.583 243 HD1 PHE 29 HD1 PHE 29 -9.595 8.446 9.803 244 HD2 PHE 29 HD2 PHE 29 -7.729 8.123 5.983 245 HE1 PHE 29 HE1 PHE 29 -11.800 8.191 8.744 246 HE2 PHE 29 HE2 PHE 29 -9.933 7.868 4.924 247 HZ PHE 29 HZ PHE 29 -11.975 7.904 6.306 248 HA PRO 30 HA PRO 30 -2.935 11.313 10.099 249 HB2 PRO 30 2HB PRO 30 -3.992 12.574 12.560 250 HB3 PRO 30 1HB PRO 30 -2.931 13.243 11.316 251 HG2 PRO 30 2HG PRO 30 -5.502 13.995 11.551 252 HG3 PRO 30 1HG PRO 30 -4.686 13.902 9.978 253 HD2 PRO 30 2HD PRO 30 -6.649 12.016 11.219 254 HD3 PRO 30 1HD PRO 30 -6.469 12.505 9.521 255 H ASN 31 H ASN 31 -5.358 9.966 12.246 256 HA ASN 31 HA ASN 31 -3.254 8.338 13.534 257 HB2 ASN 31 2HB ASN 31 -5.862 9.290 14.758 258 HB3 ASN 31 1HB ASN 31 -4.686 8.238 15.546 259 HD21 ASN 31 1HD2 ASN 31 -5.344 11.457 14.420 260 HD22 ASN 31 2HD2 ASN 31 -4.087 12.235 15.310 261 H GLN 32 H GLN 32 -3.514 6.784 11.858 262 HA GLN 32 HA GLN 32 -6.102 5.357 11.827 263 HB2 GLN 32 2HB GLN 32 -5.335 4.668 9.454 264 HB3 GLN 32 1HB GLN 32 -5.955 6.290 9.706 265 HG2 GLN 32 2HG GLN 32 -3.996 6.275 8.245 266 HG3 GLN 32 1HG GLN 32 -3.716 7.198 9.715 267 HE21 GLN 32 1HE2 GLN 32 -2.879 4.328 7.938 268 HE22 GLN 32 2HE2 GLN 32 -1.477 3.935 8.864 269 H ASN 33 H ASN 33 -5.690 3.140 10.578 270 HA ASN 33 HA ASN 33 -3.285 1.719 11.079 271 HB2 ASN 33 2HB ASN 33 -4.150 1.791 13.405 272 HB3 ASN 33 1HB ASN 33 -5.646 1.035 12.863 273 HD21 ASN 33 1HD2 ASN 33 -2.228 0.568 13.367 274 HD22 ASN 33 2HD2 ASN 33 -2.279 -1.160 13.396 275 H TYR 34 H TYR 34 -3.358 -0.414 10.109 276 HA TYR 34 HA TYR 34 -5.175 -0.460 7.895 277 HB2 TYR 34 2HB TYR 34 -3.914 -2.680 7.391 278 HB3 TYR 34 1HB TYR 34 -3.078 -1.142 7.248 279 HD1 TYR 34 HD1 TYR 34 -3.610 -3.969 9.644 280 HD2 TYR 34 HD2 TYR 34 -1.055 -0.816 8.348 281 HE1 TYR 34 HE1 TYR 34 -1.844 -4.784 11.144 282 HE2 TYR 34 HE2 TYR 34 0.714 -1.624 9.847 283 HH TYR 34 HH TYR 34 1.014 -2.970 11.790 284 H ASP 35 H ASP 35 -6.122 -1.201 10.791 285 HA ASP 35 HA ASP 35 -7.894 -3.342 9.784 286 HB2 ASP 35 2HB ASP 35 -7.113 -2.635 12.620 287 HB3 ASP 35 1HB ASP 35 -8.468 -3.691 12.238 288 H GLN 36 H GLN 36 -7.781 -0.096 10.087 289 HA GLN 36 HA GLN 36 -10.508 0.235 11.150 290 HB2 GLN 36 2HB GLN 36 -8.366 2.320 10.682 291 HB3 GLN 36 1HB GLN 36 -9.939 2.612 11.409 292 HG2 GLN 36 2HG GLN 36 -7.714 0.926 12.542 293 HG3 GLN 36 1HG GLN 36 -8.245 2.506 13.117 294 HE21 GLN 36 1HE2 GLN 36 -10.309 2.656 14.136 295 HE22 GLN 36 2HE2 GLN 36 -11.013 1.266 14.884 296 H LEU 37 H LEU 37 -8.661 0.663 8.197 297 HA LEU 37 HA LEU 37 -10.700 2.451 7.068 298 HB2 LEU 37 2HB LEU 37 -7.973 1.669 6.024 299 HB3 LEU 37 1HB LEU 37 -9.077 2.746 5.197 300 HG LEU 37 HG LEU 37 -7.469 4.122 6.239 301 HD11 LEU 37 1HD1 LEU 37 -8.759 5.449 7.810 302 HD12 LEU 37 2HD1 LEU 37 -9.909 4.126 8.004 303 HD13 LEU 37 3HD1 LEU 37 -9.750 4.935 6.445 304 HD21 LEU 37 3HD2 LEU 37 -6.891 4.020 8.604 305 HD22 LEU 37 1HD2 LEU 37 -6.530 2.499 7.793 306 HD23 LEU 37 2HD2 LEU 37 -7.959 2.633 8.818 307 H LEU 38 H LEU 38 -11.910 2.014 5.263 308 HA LEU 38 HA LEU 38 -12.014 -0.732 4.282 309 HB2 LEU 38 2HB LEU 38 -13.695 1.716 3.713 310 HB3 LEU 38 1HB LEU 38 -13.933 0.183 2.893 311 HG LEU 38 HG LEU 38 -14.200 0.612 5.877 312 HD11 LEU 38 1HD1 LEU 38 -15.975 1.742 4.643 313 HD12 LEU 38 2HD1 LEU 38 -16.601 0.335 5.502 314 HD13 LEU 38 3HD1 LEU 38 -16.327 0.255 3.761 315 HD21 LEU 38 3HD2 LEU 38 -14.786 -1.802 4.155 316 HD22 LEU 38 1HD2 LEU 38 -15.180 -1.645 5.868 317 HD23 LEU 38 2HD2 LEU 38 -13.495 -1.654 5.349 318 HA PRO 39 HA PRO 39 -9.351 -0.392 0.779 319 HB2 PRO 39 2HB PRO 39 -11.631 -1.640 -0.712 320 HB3 PRO 39 1HB PRO 39 -9.922 -2.091 -0.689 321 HG2 PRO 39 2HG PRO 39 -11.688 -3.491 0.713 322 HG3 PRO 39 1HG PRO 39 -10.091 -3.126 1.395 323 HD2 PRO 39 2HD PRO 39 -12.748 -1.917 2.030 324 HD3 PRO 39 1HD PRO 39 -11.364 -2.228 3.099 325 H SER 40 H SER 40 -12.666 0.804 0.445 326 HA SER 40 HA SER 40 -12.190 2.199 -2.023 327 HB2 SER 40 2HB SER 40 -14.398 3.226 -1.628 328 HB3 SER 40 1HB SER 40 -14.454 1.478 -1.411 329 HG SER 40 HG SER 40 -15.449 3.002 0.246 330 H GLN 41 H GLN 41 -12.536 3.268 1.373 331 HA GLN 41 HA GLN 41 -12.019 5.999 0.845 332 HB2 GLN 41 2HB GLN 41 -11.747 4.396 3.393 333 HB3 GLN 41 1HB GLN 41 -11.549 6.142 3.315 334 HG2 GLN 41 2HG GLN 41 -14.051 4.600 2.641 335 HG3 GLN 41 1HG GLN 41 -13.770 5.564 4.089 336 HE21 GLN 41 1HE2 GLN 41 -15.849 5.839 2.070 337 HE22 GLN 41 2HE2 GLN 41 -15.704 7.445 1.452 338 H ILE 42 H ILE 42 -9.876 3.298 1.597 339 HA ILE 42 HA ILE 42 -7.477 4.634 2.043 340 HB ILE 42 HB ILE 42 -7.866 2.058 0.487 341 HG12 ILE 42 2HG1 ILE 42 -7.338 2.502 3.441 342 HG13 ILE 42 1HG1 ILE 42 -8.878 2.010 2.747 343 HG21 ILE 42 1HG2 ILE 42 -5.406 3.099 1.906 344 HG22 ILE 42 2HG2 ILE 42 -5.634 3.017 0.159 345 HG23 ILE 42 3HG2 ILE 42 -5.562 1.534 1.107 346 HD11 ILE 42 3HD1 ILE 42 -7.740 0.112 3.696 347 HD12 ILE 42 1HD1 ILE 42 -6.316 0.431 2.705 348 HD13 ILE 42 2HD1 ILE 42 -7.830 -0.059 1.943 349 H TYR 43 H TYR 43 -8.762 3.495 -1.095 350 HA TYR 43 HA TYR 43 -6.861 4.677 -2.768 351 HB2 TYR 43 2HB TYR 43 -8.287 3.086 -3.762 352 HB3 TYR 43 1HB TYR 43 -9.740 3.874 -3.162 353 HD1 TYR 43 HD1 TYR 43 -6.881 4.469 -5.516 354 HD2 TYR 43 HD2 TYR 43 -10.972 5.216 -4.600 355 HE1 TYR 43 HE1 TYR 43 -7.148 5.632 -7.669 356 HE2 TYR 43 HE2 TYR 43 -11.245 6.377 -6.744 357 HH TYR 43 HH TYR 43 -8.864 6.271 -9.224 358 H LYS 44 H LYS 44 -9.821 6.013 -1.392 359 HA LYS 44 HA LYS 44 -9.966 8.338 -2.974 360 HB2 LYS 44 2HB LYS 44 -11.113 7.678 -0.262 361 HB3 LYS 44 1HB LYS 44 -11.495 9.158 -1.132 362 HG2 LYS 44 2HG LYS 44 -12.450 7.888 -2.956 363 HG3 LYS 44 1HG LYS 44 -11.978 6.375 -2.184 364 HD2 LYS 44 2HD LYS 44 -14.330 6.762 -1.813 365 HD3 LYS 44 1HD LYS 44 -13.471 6.913 -0.283 366 HE2 LYS 44 2HE LYS 44 -14.200 9.288 -1.995 367 HE3 LYS 44 1HE LYS 44 -15.272 8.643 -0.756 368 HZ1 LYS 44 3HZ LYS 44 -13.401 9.000 0.845 369 HZ2 LYS 44 1HZ LYS 44 -14.073 10.413 0.199 370 HZ3 LYS 44 2HZ LYS 44 -12.591 9.846 -0.379 371 H ASN 45 H ASN 45 -7.658 7.639 -0.601 372 HA ASN 45 HA ASN 45 -7.264 10.473 0.102 373 HB2 ASN 45 2HB ASN 45 -7.291 8.882 1.965 374 HB3 ASN 45 1HB ASN 45 -5.971 7.977 1.235 375 HD21 ASN 45 1HD2 ASN 45 -3.891 8.861 1.257 376 HD22 ASN 45 2HD2 ASN 45 -3.457 10.156 2.310 377 H TYR 46 H TYR 46 -6.170 8.367 -2.263 378 HA TYR 46 HA TYR 46 -3.388 8.522 -2.156 379 HB2 TYR 46 2HB TYR 46 -3.340 7.635 -4.315 380 HB3 TYR 46 1HB TYR 46 -4.891 7.092 -3.694 381 HD1 TYR 46 HD2 TYR 46 -6.938 8.714 -4.288 382 HD2 TYR 46 HD1 TYR 46 -3.260 8.560 -6.432 383 HE1 TYR 46 HE2 TYR 46 -8.048 9.682 -6.255 384 HE2 TYR 46 HE1 TYR 46 -4.364 9.527 -8.403 385 HH TYR 46 HH TYR 46 -7.395 10.979 -8.295 386 H TYR 47 H TYR 47 -5.649 10.897 -3.445 387 HA TYR 47 HA TYR 47 -3.513 12.490 -4.621 388 HB2 TYR 47 2HB TYR 47 -5.238 13.912 -5.484 389 HB3 TYR 47 1HB TYR 47 -5.779 12.252 -5.695 390 HD1 TYR 47 HD2 TYR 47 -7.493 11.317 -4.062 391 HD2 TYR 47 HD1 TYR 47 -6.521 15.462 -4.236 392 HE1 TYR 47 HE2 TYR 47 -9.574 11.854 -2.869 393 HE2 TYR 47 HE1 TYR 47 -8.598 16.002 -3.042 394 HH TYR 47 HH TYR 47 -10.434 13.714 -1.407 395 H GLN 48 H GLN 48 -4.838 12.176 -1.550 396 HA GLN 48 HA GLN 48 -4.748 15.002 -0.847 397 HB2 GLN 48 2HB GLN 48 -5.424 12.569 0.822 398 HB3 GLN 48 1HB GLN 48 -5.552 14.238 1.366 399 HG2 GLN 48 2HG GLN 48 -7.203 14.676 -0.397 400 HG3 GLN 48 1HG GLN 48 -7.096 12.993 -0.903 401 HE21 GLN 48 1HE2 GLN 48 -7.030 14.030 2.443 402 HE22 GLN 48 2HE2 GLN 48 -8.571 13.380 2.860 403 H GLY 49 H GLY 49 -2.866 12.078 -0.227 404 HA2 GLY 49 2HA GLY 49 -0.405 12.742 -0.005 405 HA3 GLY 49 1HA GLY 49 -0.960 13.700 1.359 406 H ILE 50 H ILE 50 0.837 11.213 0.921 407 HA ILE 50 HA ILE 50 -0.227 9.711 3.237 408 HB ILE 50 HB ILE 50 1.192 8.484 0.859 409 HG12 ILE 50 2HG1 ILE 50 -1.712 8.215 1.691 410 HG13 ILE 50 1HG1 ILE 50 -1.141 9.228 0.367 411 HG21 ILE 50 1HG2 ILE 50 1.675 7.322 2.953 412 HG22 ILE 50 2HG2 ILE 50 0.643 6.336 1.916 413 HG23 ILE 50 3HG2 ILE 50 -0.052 7.193 3.292 414 HD11 ILE 50 3HD1 ILE 50 -0.858 6.237 0.534 415 HD12 ILE 50 1HD1 ILE 50 -0.324 7.261 -0.802 416 HD13 ILE 50 2HD1 ILE 50 -2.042 7.118 -0.432 417 H GLU 51 H GLU 51 1.169 9.786 4.908 418 HA GLU 51 HA GLU 51 4.010 10.318 4.393 419 HB2 GLU 51 2HB GLU 51 2.354 10.481 6.916 420 HB3 GLU 51 1HB GLU 51 4.099 10.703 6.892 421 HG2 GLU 51 2HG GLU 51 2.147 12.377 5.310 422 HG3 GLU 51 1HG GLU 51 2.797 12.823 6.888 423 H ILE 52 H ILE 52 5.604 8.904 4.831 424 HA ILE 52 HA ILE 52 4.774 6.171 5.578 425 HB ILE 52 HB ILE 52 7.150 7.088 3.939 426 HG12 ILE 52 2HG1 ILE 52 5.027 7.379 2.749 427 HG13 ILE 52 1HG1 ILE 52 5.962 6.073 2.031 428 HG21 ILE 52 1HG2 ILE 52 7.500 4.707 3.437 429 HG22 ILE 52 2HG2 ILE 52 6.203 4.286 4.557 430 HG23 ILE 52 3HG2 ILE 52 7.673 5.050 5.159 431 HD11 ILE 52 3HD1 ILE 52 3.596 5.785 3.869 432 HD12 ILE 52 1HD1 ILE 52 4.562 4.449 3.243 433 HD13 ILE 52 2HD1 ILE 52 3.640 5.465 2.136 434 H GLN 53 H GLN 53 5.681 5.150 7.292 435 HA GLN 53 HA GLN 53 7.985 6.406 8.646 436 HB2 GLN 53 2HB GLN 53 5.975 5.966 10.033 437 HB3 GLN 53 1HB GLN 53 6.102 4.258 9.654 438 HG2 GLN 53 2HG GLN 53 6.980 4.701 11.864 439 HG3 GLN 53 1HG GLN 53 8.268 4.157 10.791 440 HE21 GLN 53 1HE2 GLN 53 9.858 5.100 12.091 441 HE22 GLN 53 2HE2 GLN 53 10.090 6.811 12.166 442 H GLN 54 H GLN 54 9.903 5.600 8.041 443 HA GLN 54 HA GLN 54 10.092 3.101 6.626 444 HB2 GLN 54 2HB GLN 54 12.492 3.693 6.401 445 HB3 GLN 54 1HB GLN 54 11.399 4.956 5.854 446 HG2 GLN 54 2HG GLN 54 11.764 6.201 7.910 447 HG3 GLN 54 1HG GLN 54 12.806 4.918 8.524 448 HE21 GLN 54 1HE2 GLN 54 14.871 4.672 7.660 449 HE22 GLN 54 2HE2 GLN 54 15.621 5.902 6.702 450 H HIS 55 H HIS 55 10.967 1.197 7.228 451 HA HIS 55 HA HIS 55 12.419 0.994 9.783 452 HB2 HIS 55 2HB HIS 55 10.089 0.257 10.149 453 HB3 HIS 55 1HB HIS 55 10.247 -0.905 8.841 454 HD1 HIS 55 HD1 HIS 55 11.432 -0.252 12.353 455 HD2 HIS 55 HD2 HIS 55 11.439 -3.310 9.543 456 HE1 HIS 55 HE1 HIS 55 12.196 -2.298 13.589 457 HE2 HIS 55 HE2 HIS 55 11.979 -4.168 11.921 458 H LYS 56 H LYS 56 12.561 0.600 6.535 459 HA LYS 56 HA LYS 56 14.470 -1.647 6.707 460 HB2 LYS 56 2HB LYS 56 12.081 -1.878 5.465 461 HB3 LYS 56 1HB LYS 56 13.026 -1.223 4.136 462 HG2 LYS 56 2HG LYS 56 14.621 -3.090 4.373 463 HG3 LYS 56 1HG LYS 56 13.641 -3.741 5.687 464 HD2 LYS 56 2HD LYS 56 11.724 -3.907 4.110 465 HD3 LYS 56 1HD LYS 56 12.793 -3.383 2.808 466 HE2 LYS 56 2HE LYS 56 12.580 -5.793 2.768 467 HE3 LYS 56 1HE LYS 56 14.223 -5.355 3.232 468 HZ1 LYS 56 3HZ LYS 56 13.404 -7.132 4.614 469 HZ2 LYS 56 1HZ LYS 56 12.053 -6.223 5.068 470 HZ3 LYS 56 2HZ LYS 56 13.595 -5.743 5.559 471 H TYR 57 H TYR 57 15.542 -1.589 4.196 472 HA TYR 57 HA TYR 57 17.406 0.510 4.375 473 HB2 TYR 57 2HB TYR 57 16.829 -1.499 2.193 474 HB3 TYR 57 1HB TYR 57 18.144 -0.331 2.077 475 HD1 TYR 57 HD2 TYR 57 16.819 -2.864 4.514 476 HD2 TYR 57 HD1 TYR 57 20.243 -1.048 2.750 477 HE1 TYR 57 HE2 TYR 57 18.276 -4.392 5.779 478 HE2 TYR 57 HE1 TYR 57 21.707 -2.568 4.009 479 HH TYR 57 HH TYR 57 21.642 -3.916 6.051 480 H GLN 58 H GLN 58 16.278 2.497 4.315 481 HA GLN 58 HA GLN 58 15.145 3.311 1.735 482 HB2 GLN 58 2HB GLN 58 15.255 4.620 4.451 483 HB3 GLN 58 1HB GLN 58 14.800 5.529 3.013 484 HG2 GLN 58 2HG GLN 58 13.414 3.033 3.978 485 HG3 GLN 58 1HG GLN 58 12.868 4.680 4.298 486 HE21 GLN 58 1HE2 GLN 58 13.369 2.270 1.823 487 HE22 GLN 58 2HE2 GLN 58 12.345 2.999 0.645 488 H ASN 59 H ASN 59 18.124 3.107 3.111 489 HA ASN 59 HA ASN 59 19.401 5.502 2.329 490 HB2 ASN 59 2HB ASN 59 20.264 3.674 3.887 491 HB3 ASN 59 1HB ASN 59 20.669 2.754 2.444 492 HD21 ASN 59 1HD2 ASN 59 22.404 3.742 4.520 493 HD22 ASN 59 2HD2 ASN 59 23.561 4.763 3.744 494 H GLU 60 H GLU 60 19.140 2.342 0.675 495 HA GLU 60 HA GLU 60 20.392 3.424 -1.720 496 HB2 GLU 60 2HB GLU 60 19.469 0.653 -0.971 497 HB3 GLU 60 1HB GLU 60 20.114 1.045 -2.558 498 HG2 GLU 60 2HG GLU 60 21.549 1.265 0.080 499 HG3 GLU 60 1HG GLU 60 21.836 0.073 -1.186 500 H LEU 61 H LEU 61 17.167 2.235 -0.779 501 HA LEU 61 HA LEU 61 16.167 3.262 -3.361 502 HB2 LEU 61 2HB LEU 61 14.425 1.485 -3.310 503 HB3 LEU 61 1HB LEU 61 16.058 0.893 -3.524 504 HG LEU 61 HG LEU 61 15.979 0.463 -0.945 505 HD11 LEU 61 1HD1 LEU 61 13.752 -0.103 -0.107 506 HD12 LEU 61 2HD1 LEU 61 13.031 0.518 -1.593 507 HD13 LEU 61 3HD1 LEU 61 13.878 1.612 -0.497 508 HD21 LEU 61 3HD2 LEU 61 15.039 -1.768 -1.339 509 HD22 LEU 61 1HD2 LEU 61 16.167 -1.292 -2.608 510 HD23 LEU 61 2HD2 LEU 61 14.429 -1.230 -2.904 511 H ASP 62 H ASP 62 14.034 4.142 -3.380 512 HA ASP 62 HA ASP 62 13.271 5.315 -0.781 513 HB2 ASP 62 2HB ASP 62 13.917 6.659 -2.960 514 HB3 ASP 62 1HB ASP 62 12.265 6.300 -3.442 515 H ILE 63 H ILE 63 11.218 5.010 0.063 516 HA ILE 63 HA ILE 63 9.307 3.442 -1.569 517 HB ILE 63 HB ILE 63 9.935 3.156 1.373 518 HG12 ILE 63 2HG1 ILE 63 9.886 1.122 -0.874 519 HG13 ILE 63 1HG1 ILE 63 11.340 1.902 -0.269 520 HG21 ILE 63 1HG2 ILE 63 8.088 1.526 1.504 521 HG22 ILE 63 2HG2 ILE 63 7.601 1.966 -0.133 522 HG23 ILE 63 3HG2 ILE 63 7.512 3.158 1.164 523 HD11 ILE 63 3HD1 ILE 63 11.126 -0.317 0.646 524 HD12 ILE 63 1HD1 ILE 63 9.524 0.068 1.277 525 HD13 ILE 63 2HD1 ILE 63 10.949 0.881 1.928 526 H LYS 64 H LYS 64 7.835 4.922 -2.193 527 HA LYS 64 HA LYS 64 6.089 5.944 -0.078 528 HB2 LYS 64 2HB LYS 64 7.138 7.655 -2.352 529 HB3 LYS 64 1HB LYS 64 5.758 8.095 -1.353 530 HG2 LYS 64 2HG LYS 64 7.275 7.969 0.647 531 HG3 LYS 64 1HG LYS 64 8.626 7.773 -0.470 532 HD2 LYS 64 2HD LYS 64 8.034 9.938 -1.516 533 HD3 LYS 64 1HD LYS 64 6.735 10.129 -0.335 534 HE2 LYS 64 2HE LYS 64 9.693 9.962 0.255 535 HE3 LYS 64 1HE LYS 64 8.686 11.405 0.343 536 HZ1 LYS 64 3HZ LYS 64 7.414 10.328 2.123 537 HZ2 LYS 64 1HZ LYS 64 9.046 10.500 2.529 538 HZ3 LYS 64 2HZ LYS 64 8.449 8.991 2.059 539 H ILE 65 H ILE 65 3.875 6.297 -0.793 540 HA ILE 65 HA ILE 65 3.191 4.380 -2.905 541 HB ILE 65 HB ILE 65 1.412 5.660 -0.817 542 HG12 ILE 65 2HG1 ILE 65 2.644 2.888 -0.932 543 HG13 ILE 65 1HG1 ILE 65 3.110 4.178 0.171 544 HG21 ILE 65 1HG2 ILE 65 -0.220 3.927 -1.444 545 HG22 ILE 65 2HG2 ILE 65 0.858 3.383 -2.730 546 HG23 ILE 65 3HG2 ILE 65 0.149 4.997 -2.796 547 HD11 ILE 65 3HD1 ILE 65 0.875 4.099 1.181 548 HD12 ILE 65 1HD1 ILE 65 1.722 2.557 1.297 549 HD13 ILE 65 2HD1 ILE 65 0.448 2.773 0.098 550 H ILE 66 H ILE 66 2.060 4.858 -4.720 551 HA ILE 66 HA ILE 66 1.573 7.683 -5.348 552 HB ILE 66 HB ILE 66 1.502 5.247 -7.149 553 HG12 ILE 66 2HG1 ILE 66 3.579 7.442 -6.862 554 HG13 ILE 66 1HG1 ILE 66 3.765 5.773 -6.334 555 HG21 ILE 66 1HG2 ILE 66 0.018 6.958 -8.002 556 HG22 ILE 66 2HG2 ILE 66 1.472 6.898 -9.000 557 HG23 ILE 66 3HG2 ILE 66 1.270 8.185 -7.811 558 HD11 ILE 66 3HD1 ILE 66 4.936 6.173 -8.418 559 HD12 ILE 66 1HD1 ILE 66 3.435 6.697 -9.181 560 HD13 ILE 66 2HD1 ILE 66 3.619 5.024 -8.655 561 H ASN 67 H ASN 67 -0.170 4.593 -5.877 562 HA ASN 67 HA ASN 67 -2.712 5.932 -5.287 563 HB2 ASN 67 2HB ASN 67 -3.746 5.124 -7.351 564 HB3 ASN 67 1HB ASN 67 -2.365 6.154 -7.723 565 HD21 ASN 67 1HD2 ASN 67 -3.643 2.940 -7.835 566 HD22 ASN 67 2HD2 ASN 67 -2.396 2.260 -8.817 567 H PHE 68 H PHE 68 -4.553 4.128 -5.701 568 HA PHE 68 HA PHE 68 -3.660 1.544 -4.602 569 HB2 PHE 68 2HB PHE 68 -6.072 3.099 -3.629 570 HB3 PHE 68 1HB PHE 68 -5.554 1.523 -3.051 571 HD1 PHE 68 HD2 PHE 68 -3.488 1.315 -1.689 572 HD2 PHE 68 HD1 PHE 68 -5.052 5.110 -2.846 573 HE1 PHE 68 HE2 PHE 68 -2.114 2.414 0.032 574 HE2 PHE 68 HE1 PHE 68 -3.679 6.202 -1.124 575 HZ PHE 68 HZ PHE 68 -2.212 4.849 0.318 576 H LEU 69 H LEU 69 -4.770 -0.239 -5.362 577 HA LEU 69 HA LEU 69 -7.238 0.146 -6.877 578 HB2 LEU 69 2HB LEU 69 -6.459 -1.202 -8.781 579 HB3 LEU 69 1HB LEU 69 -5.591 0.311 -8.623 580 HG LEU 69 HG LEU 69 -4.476 -2.331 -7.658 581 HD11 LEU 69 1HD1 LEU 69 -3.141 -2.360 -9.714 582 HD12 LEU 69 2HD1 LEU 69 -4.021 -0.949 -10.306 583 HD13 LEU 69 3HD1 LEU 69 -4.867 -2.477 -10.057 584 HD21 LEU 69 3HD2 LEU 69 -3.452 -0.362 -6.640 585 HD22 LEU 69 1HD2 LEU 69 -3.169 0.334 -8.235 586 HD23 LEU 69 2HD2 LEU 69 -2.328 -1.140 -7.753 587 H TYR 70 H TYR 70 -8.241 -2.002 -7.514 588 HA TYR 70 HA TYR 70 -8.066 -3.760 -5.164 589 HB2 TYR 70 2HB TYR 70 -10.278 -3.659 -7.227 590 HB3 TYR 70 1HB TYR 70 -10.328 -4.428 -5.646 591 HD1 TYR 70 HD1 TYR 70 -9.925 -2.790 -3.599 592 HD2 TYR 70 HD2 TYR 70 -11.216 -1.548 -7.466 593 HE1 TYR 70 HE1 TYR 70 -10.844 -0.726 -2.626 594 HE2 TYR 70 HE2 TYR 70 -12.131 0.519 -6.502 595 HH TYR 70 HH TYR 70 -11.394 1.586 -3.400 596 HA PRO 71 HA PRO 71 -6.368 -7.147 -7.603 597 HB2 PRO 71 2HB PRO 71 -7.691 -8.876 -5.584 598 HB3 PRO 71 1HB PRO 71 -5.988 -8.786 -6.048 599 HG2 PRO 71 2HG PRO 71 -6.818 -7.801 -3.712 600 HG3 PRO 71 1HG PRO 71 -5.569 -6.968 -4.659 601 HD2 PRO 71 2HD PRO 71 -8.496 -6.328 -4.406 602 HD3 PRO 71 1HD PRO 71 -7.097 -5.229 -4.394 603 H ASP 72 H ASP 72 -9.523 -8.025 -6.158 604 HA ASP 72 HA ASP 72 -10.348 -9.481 -8.469 605 HB2 ASP 72 2HB ASP 72 -11.889 -8.556 -6.037 606 HB3 ASP 72 1HB ASP 72 -12.516 -9.661 -7.257 607 H GLY 73 H GLY 73 -10.209 -6.190 -7.963 608 HA2 GLY 73 2HA GLY 73 -10.912 -4.463 -9.329 609 HA3 GLY 73 1HA GLY 73 -11.749 -5.642 -10.323 610 H ASP 74 H ASP 74 -13.737 -6.630 -9.054 611 HA ASP 74 HA ASP 74 -15.618 -4.582 -8.611 612 HB2 ASP 74 2HB ASP 74 -16.354 -6.726 -9.393 613 HB3 ASP 74 1HB ASP 74 -15.665 -7.542 -7.993 614 H PHE 75 H PHE 75 -16.434 -3.648 -6.786 615 HA PHE 75 HA PHE 75 -14.781 -3.307 -4.574 616 HB2 PHE 75 2HB PHE 75 -16.777 -2.201 -3.510 617 HB3 PHE 75 1HB PHE 75 -16.364 -1.603 -5.110 618 HD1 PHE 75 HD1 PHE 75 -17.780 -2.180 -7.058 619 HD2 PHE 75 HD2 PHE 75 -18.874 -3.282 -3.089 620 HE1 PHE 75 HE1 PHE 75 -20.088 -2.585 -7.809 621 HE2 PHE 75 HE2 PHE 75 -21.180 -3.692 -3.839 622 HZ PHE 75 HZ PHE 75 -21.788 -3.347 -6.197 623 H GLY 76 H GLY 76 -17.773 -5.271 -4.760 624 HA2 GLY 76 2HA GLY 76 -17.615 -6.217 -2.081 625 HA3 GLY 76 1HA GLY 76 -18.575 -6.928 -3.371 626 H SER 77 H SER 77 -16.617 -7.638 -5.176 627 HA SER 77 HA SER 77 -15.660 -10.080 -4.156 628 HB2 SER 77 2HB SER 77 -14.870 -8.551 -6.645 629 HB3 SER 77 1HB SER 77 -14.362 -10.205 -6.299 630 HG SER 77 HG SER 77 -16.935 -9.208 -6.881 631 H ALA 78 H ALA 78 -14.206 -6.905 -4.236 632 HA ALA 78 HA ALA 78 -11.572 -7.834 -3.499 633 HB1 ALA 78 3HB ALA 78 -11.852 -5.739 -4.727 634 HB2 ALA 78 1HB ALA 78 -11.056 -5.462 -3.180 635 HB3 ALA 78 2HB ALA 78 -12.761 -5.059 -3.378 636 H ASN 79 H ASN 79 -14.360 -6.422 -1.813 637 HA ASN 79 HA ASN 79 -13.113 -6.221 0.733 638 HB2 ASN 79 2HB ASN 79 -15.091 -4.891 0.069 639 HB3 ASN 79 1HB ASN 79 -16.065 -6.357 0.068 640 HD21 ASN 79 1HD2 ASN 79 -16.785 -7.183 1.990 641 HD22 ASN 79 2HD2 ASN 79 -16.545 -6.399 3.512 642 H LYS 80 H LYS 80 -14.829 -8.825 -0.881 643 HA LYS 80 HA LYS 80 -15.498 -10.432 1.276 644 HB2 LYS 80 2HB LYS 80 -15.644 -12.263 -0.205 645 HB3 LYS 80 1HB LYS 80 -16.021 -10.853 -1.178 646 HG2 LYS 80 2HG LYS 80 -13.869 -10.901 -2.214 647 HG3 LYS 80 1HG LYS 80 -13.297 -12.137 -1.094 648 HD2 LYS 80 2HD LYS 80 -15.025 -13.686 -2.008 649 HD3 LYS 80 1HD LYS 80 -15.435 -12.456 -3.206 650 HE2 LYS 80 2HE LYS 80 -12.697 -13.699 -2.877 651 HE3 LYS 80 1HE LYS 80 -13.894 -14.201 -4.071 652 HZ1 LYS 80 3HZ LYS 80 -12.744 -11.473 -3.894 653 HZ2 LYS 80 1HZ LYS 80 -13.786 -12.056 -5.091 654 HZ3 LYS 80 2HZ LYS 80 -12.215 -12.667 -4.969 655 H ASN 81 H ASN 81 -12.344 -9.928 -0.177 656 HA ASN 81 HA ASN 81 -11.139 -11.831 1.734 657 HB2 ASN 81 2HB ASN 81 -9.924 -10.534 -0.721 658 HB3 ASN 81 1HB ASN 81 -9.121 -11.704 0.322 659 HD21 ASN 81 1HD2 ASN 81 -9.663 -11.875 -2.498 660 HD22 ASN 81 2HD2 ASN 81 -10.621 -13.292 -2.719 661 H GLY 82 H GLY 82 -11.757 -8.563 1.380 662 HA2 GLY 82 2HA GLY 82 -10.927 -6.636 2.306 663 HA3 GLY 82 1HA GLY 82 -10.245 -7.672 3.552 664 H THR 83 H THR 83 -9.510 -7.496 0.085 665 HA THR 83 HA THR 83 -6.663 -7.105 0.780 666 HB THR 83 HB THR 83 -6.182 -8.047 -1.487 667 HG1 THR 83 HG1 THR 83 -8.648 -7.598 -1.996 668 HG21 THR 83 3HG2 THR 83 -6.075 -9.492 0.481 669 HG22 THR 83 1HG2 THR 83 -6.696 -10.385 -0.909 670 HG23 THR 83 2HG2 THR 83 -7.801 -9.826 0.346 671 H LEU 84 H LEU 84 -5.438 -5.551 -0.194 672 HA LEU 84 HA LEU 84 -6.637 -3.820 -2.244 673 HB2 LEU 84 2HB LEU 84 -7.076 -2.932 0.112 674 HB3 LEU 84 1HB LEU 84 -5.349 -2.696 0.257 675 HG LEU 84 HG LEU 84 -6.715 -0.643 -0.301 676 HD11 LEU 84 1HD1 LEU 84 -4.286 -0.766 -0.645 677 HD12 LEU 84 2HD1 LEU 84 -5.090 0.266 -1.824 678 HD13 LEU 84 3HD1 LEU 84 -4.563 -1.351 -2.284 679 HD21 LEU 84 3HD2 LEU 84 -8.262 -1.662 -1.884 680 HD22 LEU 84 1HD2 LEU 84 -6.932 -1.984 -2.998 681 HD23 LEU 84 2HD2 LEU 84 -7.392 -0.322 -2.627 682 H LYS 85 H LYS 85 -5.124 -2.996 -3.701 683 HA LYS 85 HA LYS 85 -2.404 -4.055 -3.479 684 HB2 LYS 85 2HB LYS 85 -3.820 -2.649 -5.753 685 HB3 LYS 85 1HB LYS 85 -2.156 -3.207 -5.828 686 HG2 LYS 85 2HG LYS 85 -2.948 -5.526 -5.500 687 HG3 LYS 85 1HG LYS 85 -4.613 -4.932 -5.505 688 HD2 LYS 85 2HD LYS 85 -4.291 -4.045 -7.772 689 HD3 LYS 85 1HD LYS 85 -2.626 -4.625 -7.768 690 HE2 LYS 85 2HE LYS 85 -5.062 -6.385 -7.511 691 HE3 LYS 85 1HE LYS 85 -4.198 -6.089 -9.016 692 HZ1 LYS 85 3HZ LYS 85 -3.443 -8.135 -8.115 693 HZ2 LYS 85 1HZ LYS 85 -3.157 -7.453 -6.595 694 HZ3 LYS 85 2HZ LYS 85 -2.196 -7.014 -7.915 695 H LEU 86 H LEU 86 -1.054 -2.828 -2.311 696 HA LEU 86 HA LEU 86 -1.086 0.046 -2.306 697 HB2 LEU 86 2HB LEU 86 0.928 -1.955 -1.253 698 HB3 LEU 86 1HB LEU 86 1.097 -0.224 -1.059 699 HG LEU 86 HG LEU 86 0.283 -1.199 0.993 700 HD11 LEU 86 1HD1 LEU 86 -1.898 0.335 -0.409 701 HD12 LEU 86 2HD1 LEU 86 -0.524 1.020 0.459 702 HD13 LEU 86 3HD1 LEU 86 -1.752 0.109 1.335 703 HD21 LEU 86 3HD2 LEU 86 -0.764 -3.217 0.089 704 HD22 LEU 86 1HD2 LEU 86 -2.064 -2.240 -0.595 705 HD23 LEU 86 2HD2 LEU 86 -1.864 -2.342 1.154 706 H SER 87 H SER 87 -0.247 1.303 -3.891 707 HA SER 87 HA SER 87 1.638 0.132 -5.812 708 HB2 SER 87 2HB SER 87 -0.303 1.296 -6.744 709 HB3 SER 87 1HB SER 87 0.142 2.771 -5.886 710 HG SER 87 HG SER 87 0.808 2.688 -8.129 711 H LEU 88 H LEU 88 3.683 0.192 -4.968 712 HA LEU 88 HA LEU 88 4.664 2.680 -3.744 713 HB2 LEU 88 2HB LEU 88 5.771 -0.124 -3.818 714 HB3 LEU 88 1HB LEU 88 6.707 1.238 -3.239 715 HG LEU 88 HG LEU 88 4.965 1.623 -1.485 716 HD11 LEU 88 1HD1 LEU 88 3.392 -0.186 -0.975 717 HD12 LEU 88 2HD1 LEU 88 3.870 -1.018 -2.455 718 HD13 LEU 88 3HD1 LEU 88 3.062 0.547 -2.545 719 HD21 LEU 88 3HD2 LEU 88 5.679 -0.234 -0.067 720 HD22 LEU 88 1HD2 LEU 88 7.028 0.421 -0.993 721 HD23 LEU 88 2HD2 LEU 88 6.276 -1.097 -1.484 722 H MET 89 H MET 89 6.153 3.981 -4.687 723 HA MET 89 HA MET 89 7.376 3.076 -7.211 724 HB2 MET 89 2HB MET 89 7.878 5.477 -7.623 725 HB3 MET 89 1HB MET 89 6.162 5.125 -7.507 726 HG2 MET 89 2HG MET 89 6.062 6.056 -5.292 727 HG3 MET 89 1HG MET 89 7.812 6.263 -5.254 728 HE1 MET 89 3HE MET 89 8.365 9.062 -7.939 729 HE2 MET 89 1HE MET 89 8.418 7.320 -8.202 730 HE3 MET 89 2HE MET 89 9.134 8.014 -6.747 731 H LEU 90 H LEU 90 9.229 2.073 -6.779 732 HA LEU 90 HA LEU 90 10.992 2.892 -4.647 733 HB2 LEU 90 2HB LEU 90 11.242 0.757 -6.777 734 HB3 LEU 90 1HB LEU 90 12.472 1.056 -5.565 735 HG LEU 90 HG LEU 90 11.171 -0.847 -4.895 736 HD11 LEU 90 1HD1 LEU 90 10.372 -0.142 -2.704 737 HD12 LEU 90 2HD1 LEU 90 10.403 1.543 -3.224 738 HD13 LEU 90 3HD1 LEU 90 11.907 0.628 -3.105 739 HD21 LEU 90 3HD2 LEU 90 8.732 0.917 -5.120 740 HD22 LEU 90 1HD2 LEU 90 8.757 -0.723 -4.468 741 HD23 LEU 90 2HD2 LEU 90 9.142 -0.442 -6.166 742 H THR 91 H THR 91 11.892 4.868 -5.067 743 HA THR 91 HA THR 91 13.252 5.322 -7.620 744 HB THR 91 HB THR 91 12.891 7.177 -5.248 745 HG1 THR 91 HG1 THR 91 11.045 7.581 -6.187 746 HG21 THR 91 3HG2 THR 91 13.721 8.945 -6.750 747 HG22 THR 91 1HG2 THR 91 14.062 7.734 -7.985 748 HG23 THR 91 2HG2 THR 91 14.950 7.713 -6.460 749 H ASP 92 H ASP 92 15.316 4.754 -7.878 750 HA ASP 92 HA ASP 92 16.962 3.814 -5.771 751 HB2 ASP 92 2HB ASP 92 17.800 4.676 -8.551 752 HB3 ASP 92 1HB ASP 92 18.732 3.666 -7.451 753 H LYS 93 H LYS 93 18.520 4.798 -4.549 754 HA LYS 93 HA LYS 93 19.222 7.588 -5.053 755 HB2 LYS 93 2HB LYS 93 19.972 5.630 -2.873 756 HB3 LYS 93 1HB LYS 93 20.763 7.190 -3.029 757 HG2 LYS 93 2HG LYS 93 19.074 7.421 -1.382 758 HG3 LYS 93 1HG LYS 93 18.506 8.264 -2.823 759 HD2 LYS 93 2HD LYS 93 17.153 6.257 -3.400 760 HD3 LYS 93 1HD LYS 93 17.657 5.523 -1.876 761 HE2 LYS 93 2HE LYS 93 16.088 8.083 -2.198 762 HE3 LYS 93 1HE LYS 93 15.449 6.531 -1.661 763 HZ1 LYS 93 3HZ LYS 93 16.872 6.660 0.283 764 HZ2 LYS 93 1HZ LYS 93 15.871 8.018 0.191 765 HZ3 LYS 93 2HZ LYS 93 17.501 8.140 -0.235 766 H LYS 94 H LYS 94 20.455 4.383 -5.509 767 HA LYS 94 HA LYS 94 23.152 5.118 -6.154 768 HB2 LYS 94 2HB LYS 94 23.294 2.748 -6.989 769 HB3 LYS 94 1HB LYS 94 22.773 2.907 -5.318 770 HG2 LYS 94 2HG LYS 94 20.511 2.426 -5.884 771 HG3 LYS 94 1HG LYS 94 20.844 2.565 -7.608 772 HD2 LYS 94 2HD LYS 94 20.652 0.242 -7.088 773 HD3 LYS 94 1HD LYS 94 22.350 0.578 -7.410 774 HE2 LYS 94 2HE LYS 94 21.145 0.410 -4.643 775 HE3 LYS 94 1HE LYS 94 21.925 -0.941 -5.461 776 HZ1 LYS 94 3HZ LYS 94 23.936 0.559 -5.618 777 HZ2 LYS 94 1HZ LYS 94 23.537 -0.004 -4.075 778 HZ3 LYS 94 2HZ LYS 94 23.156 1.576 -4.513 779 H ASN 95 H ASN 95 20.304 4.226 -8.110 780 HA ASN 95 HA ASN 95 21.779 4.942 -10.557 781 HB2 ASN 95 2HB ASN 95 19.240 3.326 -10.219 782 HB3 ASN 95 1HB ASN 95 20.033 3.660 -11.756 783 HD21 ASN 95 1HD2 ASN 95 19.464 1.119 -10.419 784 HD22 ASN 95 2HD2 ASN 95 20.991 0.319 -10.266 785 H ASN 96 H ASN 96 19.374 6.160 -8.491 786 HA ASN 96 HA ASN 96 17.876 7.862 -8.589 787 HB2 ASN 96 2HB ASN 96 19.686 8.704 -10.858 788 HB3 ASN 96 1HB ASN 96 18.399 9.720 -10.213 789 HD21 ASN 96 1HD2 ASN 96 21.512 8.307 -9.588 790 HD22 ASN 96 2HD2 ASN 96 21.878 9.249 -8.188 791 H GLN 97 H GLN 97 17.267 5.430 -10.090 792 HA GLN 97 HA GLN 97 15.428 6.459 -12.149 793 HB2 GLN 97 2HB GLN 97 16.473 3.664 -11.627 794 HB3 GLN 97 1HB GLN 97 15.258 4.048 -12.841 795 HG2 GLN 97 2HG GLN 97 18.075 5.129 -12.785 796 HG3 GLN 97 1HG GLN 97 17.504 3.804 -13.799 797 HE21 GLN 97 1HE2 GLN 97 18.649 6.398 -14.537 798 HE22 GLN 97 2HE2 GLN 97 17.480 7.146 -15.564 799 H VAL 98 H VAL 98 13.478 4.559 -12.215 800 HA VAL 98 HA VAL 98 12.405 4.352 -9.488 801 HB VAL 98 HB VAL 98 11.521 6.455 -10.372 802 HG11 VAL 98 1HG1 VAL 98 11.608 5.941 -12.764 803 HG12 VAL 98 2HG1 VAL 98 10.012 6.518 -12.286 804 HG13 VAL 98 3HG1 VAL 98 10.279 4.797 -12.570 805 HG21 VAL 98 3HG2 VAL 98 10.141 5.108 -8.840 806 HG22 VAL 98 1HG2 VAL 98 9.381 4.323 -10.225 807 HG23 VAL 98 2HG2 VAL 98 9.155 6.052 -9.955 808 H TYR 99 H TYR 99 11.379 2.497 -9.076 809 HA TYR 99 HA TYR 99 10.374 0.845 -11.317 810 HB2 TYR 99 2HB TYR 99 12.323 -0.283 -10.545 811 HB3 TYR 99 1HB TYR 99 11.927 0.015 -8.857 812 HD1 TYR 99 HD2 TYR 99 10.586 -1.779 -11.863 813 HD2 TYR 99 HD1 TYR 99 10.941 -1.694 -7.616 814 HE1 TYR 99 HE2 TYR 99 9.476 -3.969 -11.724 815 HE2 TYR 99 HE1 TYR 99 9.828 -3.880 -7.472 816 HH TYR 99 HH TYR 99 9.183 -5.804 -10.285 817 H TYR 100 H TYR 100 8.303 0.098 -11.119 818 HA TYR 100 HA TYR 100 6.797 0.936 -8.753 819 HB2 TYR 100 2HB TYR 100 5.795 -0.261 -11.349 820 HB3 TYR 100 1HB TYR 100 4.799 0.428 -10.072 821 HD1 TYR 100 HD2 TYR 100 5.570 2.951 -9.412 822 HD2 TYR 100 HD1 TYR 100 6.164 1.076 -13.192 823 HE1 TYR 100 HE2 TYR 100 5.717 5.163 -10.483 824 HE2 TYR 100 HE1 TYR 100 6.315 3.277 -14.267 825 HH TYR 100 HH TYR 100 5.510 5.593 -13.818 826 H LYS 101 H LYS 101 6.123 -0.423 -7.198 827 HA LYS 101 HA LYS 101 6.043 -3.326 -7.765 828 HB2 LYS 101 2HB LYS 101 8.017 -2.729 -6.378 829 HB3 LYS 101 1HB LYS 101 6.946 -2.013 -5.187 830 HG2 LYS 101 2HG LYS 101 7.368 -4.058 -4.233 831 HG3 LYS 101 1HG LYS 101 5.878 -4.401 -5.108 832 HD2 LYS 101 2HD LYS 101 8.610 -4.947 -6.274 833 HD3 LYS 101 1HD LYS 101 7.753 -6.125 -5.283 834 HE2 LYS 101 2HE LYS 101 5.898 -6.123 -6.883 835 HE3 LYS 101 1HE LYS 101 6.745 -4.928 -7.867 836 HZ1 LYS 101 3HZ LYS 101 7.830 -7.617 -7.240 837 HZ2 LYS 101 1HZ LYS 101 8.458 -6.493 -8.337 838 HZ3 LYS 101 2HZ LYS 101 6.978 -7.249 -8.652 839 H LEU 102 H LEU 102 4.032 -4.100 -7.545 840 HA LEU 102 HA LEU 102 2.070 -2.644 -5.924 841 HB2 LEU 102 2HB LEU 102 1.716 -4.921 -7.882 842 HB3 LEU 102 1HB LEU 102 0.408 -4.117 -7.033 843 HG LEU 102 HG LEU 102 2.257 -2.818 -9.048 844 HD11 LEU 102 1HD1 LEU 102 0.280 -2.715 -10.482 845 HD12 LEU 102 2HD1 LEU 102 -0.653 -3.598 -9.271 846 HD13 LEU 102 3HD1 LEU 102 0.700 -4.382 -10.088 847 HD21 LEU 102 3HD2 LEU 102 0.767 -0.884 -8.873 848 HD22 LEU 102 1HD2 LEU 102 1.530 -1.242 -7.324 849 HD23 LEU 102 2HD2 LEU 102 -0.151 -1.698 -7.605 850 H LEU 103 H LEU 103 1.602 -3.277 -3.926 851 HA LEU 103 HA LEU 103 2.114 -6.083 -3.134 852 HB2 LEU 103 2HB LEU 103 2.089 -3.552 -1.480 853 HB3 LEU 103 1HB LEU 103 2.235 -5.165 -0.805 854 HG LEU 103 HG LEU 103 4.220 -3.971 -2.751 855 HD11 LEU 103 1HD1 LEU 103 4.202 -2.685 -0.682 856 HD12 LEU 103 2HD1 LEU 103 5.674 -3.647 -0.811 857 HD13 LEU 103 3HD1 LEU 103 4.369 -4.167 0.256 858 HD21 LEU 103 3HD2 LEU 103 5.660 -5.814 -2.009 859 HD22 LEU 103 1HD2 LEU 103 4.170 -6.419 -2.734 860 HD23 LEU 103 2HD2 LEU 103 4.360 -6.421 -0.980 861 H GLU 104 H GLU 104 0.141 -7.088 -3.431 862 HA GLU 104 HA GLU 104 -2.280 -5.815 -2.430 863 HB2 GLU 104 2HB GLU 104 -3.421 -7.861 -3.311 864 HB3 GLU 104 1HB GLU 104 -2.521 -6.957 -4.519 865 HG2 GLU 104 2HG GLU 104 -0.651 -8.581 -4.256 866 HG3 GLU 104 1HG GLU 104 -1.683 -9.524 -3.184 867 H VAL 105 H VAL 105 -2.431 -5.812 -0.270 868 HA VAL 105 HA VAL 105 -1.761 -8.273 1.220 869 HB VAL 105 HB VAL 105 -1.551 -6.860 3.211 870 HG11 VAL 105 1HG1 VAL 105 0.055 -5.811 0.871 871 HG12 VAL 105 2HG1 VAL 105 0.431 -7.243 1.830 872 HG13 VAL 105 3HG1 VAL 105 0.481 -5.646 2.577 873 HG21 VAL 105 3HG2 VAL 105 -1.617 -4.397 2.997 874 HG22 VAL 105 1HG2 VAL 105 -3.183 -5.145 2.682 875 HG23 VAL 105 2HG2 VAL 105 -2.192 -4.575 1.340 876 H SER 106 H SER 106 -3.074 -8.722 3.162 877 HA SER 106 HA SER 106 -5.924 -7.994 2.797 878 HB2 SER 106 2HB SER 106 -5.606 -10.301 2.080 879 HB3 SER 106 1HB SER 106 -4.759 -10.686 3.576 880 HG SER 106 HG SER 106 -7.492 -10.343 3.101 881 H GLY 107 H GLY 107 -7.235 -8.016 4.744 882 HA2 GLY 107 2HA GLY 107 -7.041 -8.667 7.212 883 HA3 GLY 107 1HA GLY 107 -5.640 -7.614 7.206 884 H PHE 108 H PHE 108 -7.307 -5.802 5.287 885 HA PHE 108 HA PHE 108 -8.032 -3.896 7.195 886 HB2 PHE 108 2HB PHE 108 -9.080 -4.166 4.366 887 HB3 PHE 108 1HB PHE 108 -9.165 -2.712 5.354 888 HD1 PHE 108 HD2 PHE 108 -7.042 -1.545 5.999 889 HD2 PHE 108 HD1 PHE 108 -7.121 -4.709 3.145 890 HE1 PHE 108 HE2 PHE 108 -4.842 -0.843 5.160 891 HE2 PHE 108 HE1 PHE 108 -4.915 -4.007 2.305 892 HZ PHE 108 HZ PHE 108 -3.774 -2.073 3.313 893 H LYS 109 H LYS 109 -10.273 -5.830 5.203 894 HA LYS 109 HA LYS 109 -11.992 -6.384 7.431 895 HB2 LYS 109 2HB LYS 109 -12.765 -4.116 6.933 896 HB3 LYS 109 1HB LYS 109 -12.998 -4.537 5.244 897 HG2 LYS 109 2HG LYS 109 -15.117 -4.456 6.463 898 HG3 LYS 109 1HG LYS 109 -14.786 -6.071 5.836 899 HD2 LYS 109 2HD LYS 109 -15.670 -6.223 8.090 900 HD3 LYS 109 1HD LYS 109 -13.989 -6.755 8.073 901 HE2 LYS 109 2HE LYS 109 -14.448 -5.358 10.020 902 HE3 LYS 109 1HE LYS 109 -13.290 -4.577 8.947 903 HZ1 LYS 109 3HZ LYS 109 -16.193 -3.972 8.930 904 HZ2 LYS 109 1HZ LYS 109 -14.960 -3.120 8.149 905 HZ3 LYS 109 2HZ LYS 109 -15.065 -3.098 9.836 906 H SER 110 H SER 110 -12.101 -8.523 7.013 907 HA SER 110 HA SER 110 -12.447 -9.448 4.242 908 HB2 SER 110 2HB SER 110 -11.828 -11.682 5.151 909 HB3 SER 110 1HB SER 110 -10.600 -10.458 5.469 910 HG SER 110 HG SER 110 -12.607 -11.237 7.332 911 H ASN 111 H ASN 111 -14.543 -9.575 3.631 912 HA ASN 111 HA ASN 111 -16.393 -11.061 5.406 913 HB2 ASN 111 2HB ASN 111 -17.117 -8.739 3.598 914 HB3 ASN 111 1HB ASN 111 -18.254 -9.684 4.552 915 HD21 ASN 111 1HD2 ASN 111 -16.353 -9.830 6.827 916 HD22 ASN 111 2HD2 ASN 111 -16.424 -8.271 7.557 917 HA PRO 112 HA PRO 112 -15.926 -13.190 1.264 918 HB2 PRO 112 2HB PRO 112 -16.009 -15.745 2.259 919 HB3 PRO 112 1HB PRO 112 -14.526 -14.798 2.105 920 HG2 PRO 112 2HG PRO 112 -16.251 -15.242 4.518 921 HG3 PRO 112 1HG PRO 112 -14.480 -15.254 4.390 922 HD2 PRO 112 2HD PRO 112 -15.834 -13.123 5.360 923 HD3 PRO 112 1HD PRO 112 -14.341 -12.935 4.418 924 H TYR 113 H TYR 113 -17.752 -15.351 3.392 925 HA TYR 113 HA TYR 113 -20.061 -15.190 1.631 926 HB2 TYR 113 2HB TYR 113 -20.911 -16.972 3.364 927 HB3 TYR 113 1HB TYR 113 -19.666 -17.406 2.198 928 HD1 TYR 113 HD2 TYR 113 -19.697 -15.751 5.584 929 HD2 TYR 113 HD1 TYR 113 -18.040 -18.786 3.085 930 HE1 TYR 113 HE2 TYR 113 -18.202 -16.437 7.411 931 HE2 TYR 113 HE1 TYR 113 -16.550 -19.476 4.909 932 HH TYR 113 HH TYR 113 -16.915 -18.339 8.126 933 H LEU 114 H LEU 114 -19.062 -13.306 4.068 934 HA LEU 114 HA LEU 114 -21.330 -13.262 5.801 935 HB2 LEU 114 2HB LEU 114 -19.092 -11.263 5.457 936 HB3 LEU 114 1HB LEU 114 -20.274 -11.234 6.755 937 HG LEU 114 HG LEU 114 -18.283 -13.461 6.263 938 HD11 LEU 114 1HD1 LEU 114 -17.205 -11.414 7.051 939 HD12 LEU 114 2HD1 LEU 114 -17.170 -12.681 8.276 940 HD13 LEU 114 3HD1 LEU 114 -18.320 -11.350 8.417 941 HD21 LEU 114 3HD2 LEU 114 -19.024 -14.325 8.428 942 HD22 LEU 114 1HD2 LEU 114 -20.352 -14.279 7.269 943 HD23 LEU 114 2HD2 LEU 114 -20.237 -13.049 8.529 944 H GLU 115 H GLU 115 -20.254 -11.078 3.170 945 HA GLU 115 HA GLU 115 -22.522 -9.364 3.371 946 HB2 GLU 115 2HB GLU 115 -20.591 -9.829 1.091 947 HB3 GLU 115 1HB GLU 115 -21.849 -8.601 1.070 948 HG2 GLU 115 2HG GLU 115 -20.825 -7.600 3.105 949 HG3 GLU 115 1HG GLU 115 -19.507 -8.761 2.956 950 H HIS 116 H HIS 116 -21.939 -12.358 1.644 951 HA HIS 116 HA HIS 116 -24.768 -12.443 0.878 952 HB2 HIS 116 2HB HIS 116 -22.515 -12.997 -1.080 953 HB3 HIS 116 1HB HIS 116 -24.232 -13.209 -1.404 954 HD1 HIS 116 HD1 HIS 116 -21.542 -10.690 -1.409 955 HD2 HIS 116 HD2 HIS 116 -25.691 -10.725 -1.620 956 HE1 HIS 116 HE1 HIS 116 -22.192 -8.411 -2.231 957 HE2 HIS 116 HE2 HIS 116 -24.706 -8.399 -2.161 958 H HIS 117 H HIS 117 -25.251 -14.126 2.268 959 HA HIS 117 HA HIS 117 -23.539 -16.464 2.445 960 HB2 HIS 117 2HB HIS 117 -26.177 -15.774 3.745 961 HB3 HIS 117 1HB HIS 117 -25.352 -17.305 3.998 962 HD1 HIS 117 HD1 HIS 117 -25.249 -13.714 4.936 963 HD2 HIS 117 HD2 HIS 117 -23.043 -17.164 5.592 964 HE1 HIS 117 HE1 HIS 117 -23.700 -13.163 6.823 965 HE2 HIS 117 HE2 HIS 117 -22.584 -15.345 7.369 966 H HIS 118 H HIS 118 -27.059 -16.228 1.880 967 HA HIS 118 HA HIS 118 -27.149 -18.850 0.745 968 HB2 HIS 118 2HB HIS 118 -28.981 -17.790 2.088 969 HB3 HIS 118 1HB HIS 118 -29.316 -16.736 0.719 970 HD1 HIS 118 HD1 HIS 118 -28.870 -20.512 1.058 971 HD2 HIS 118 HD2 HIS 118 -31.480 -17.722 -0.582 972 HE1 HIS 118 HE1 HIS 118 -30.678 -21.851 -0.054 973 HE2 HIS 118 HE2 HIS 118 -32.312 -20.146 -0.897 974 H HIS 119 H HIS 119 -27.753 -15.617 -0.626 975 HA HIS 119 HA HIS 119 -27.712 -14.792 -2.736 976 HB2 HIS 119 2HB HIS 119 -25.311 -15.189 -2.335 977 HB3 HIS 119 1HB HIS 119 -25.464 -16.795 -3.039 978 HD1 HIS 119 HD1 HIS 119 -25.164 -16.975 -5.516 979 HD2 HIS 119 HD2 HIS 119 -25.741 -13.049 -4.278 980 HE1 HIS 119 HE1 HIS 119 -24.777 -15.563 -7.551 981 HE2 HIS 119 HE2 HIS 119 -24.950 -13.191 -6.734 982 H HIS 120 H HIS 120 -29.791 -15.585 -3.365 983 HA HIS 120 HA HIS 120 -29.731 -17.869 -5.243 984 HB2 HIS 120 2HB HIS 120 -31.369 -17.984 -3.351 985 HB3 HIS 120 1HB HIS 120 -32.156 -16.546 -3.991 986 HD1 HIS 120 HD1 HIS 120 -34.105 -17.039 -5.450 987 HD2 HIS 120 HD2 HIS 120 -31.360 -20.161 -5.444 988 HE1 HIS 120 HE1 HIS 120 -35.125 -18.833 -6.871 989 HE2 HIS 120 HE2 HIS 120 -33.511 -20.757 -6.746 990 H HIS 121 H HIS 121 -29.461 -14.622 -5.241 991 HA HIS 121 HA HIS 121 -31.183 -13.811 -7.361 992 HB2 HIS 121 2HB HIS 121 -30.288 -12.236 -5.713 993 HB3 HIS 121 1HB HIS 121 -28.653 -12.543 -6.279 994 HD1 HIS 121 HD1 HIS 121 -27.804 -10.846 -7.856 995 HD2 HIS 121 HD2 HIS 121 -31.951 -11.089 -7.944 996 HE1 HIS 121 HE1 HIS 121 -28.548 -9.032 -9.422 997 HE2 HIS 121 HE2 HIS 121 -31.043 -9.302 -9.578 Start of MODEL 4 1 H1 MET 1 1H MET 1 24.943 -14.960 5.800 2 H2 MET 1 2H MET 1 24.868 -13.565 4.856 3 H3 MET 1 3H MET 1 25.029 -15.077 4.117 4 HA MET 1 HA MET 1 22.862 -15.747 4.862 5 HB2 MET 1 2HB MET 1 22.946 -14.367 6.958 6 HB3 MET 1 1HB MET 1 22.614 -12.942 5.985 7 HG2 MET 1 2HG MET 1 20.591 -13.726 7.052 8 HG3 MET 1 1HG MET 1 20.471 -13.918 5.303 9 HE1 MET 1 3HE MET 1 18.361 -15.520 5.720 10 HE2 MET 1 1HE MET 1 18.550 -15.365 7.467 11 HE3 MET 1 2HE MET 1 18.421 -16.963 6.733 12 H LEU 2 H LEU 2 22.995 -12.231 4.130 13 HA LEU 2 HA LEU 2 21.740 -12.782 1.524 14 HB2 LEU 2 2HB LEU 2 22.148 -10.166 2.994 15 HB3 LEU 2 1HB LEU 2 21.468 -10.295 1.386 16 HG LEU 2 HG LEU 2 19.639 -9.996 2.837 17 HD11 LEU 2 1HD1 LEU 2 18.349 -12.052 2.617 18 HD12 LEU 2 2HD1 LEU 2 19.823 -12.952 2.265 19 HD13 LEU 2 3HD1 LEU 2 19.260 -11.708 1.147 20 HD21 LEU 2 3HD2 LEU 2 19.224 -11.331 4.833 21 HD22 LEU 2 1HD2 LEU 2 20.765 -10.482 4.945 22 HD23 LEU 2 2HD2 LEU 2 20.732 -12.207 4.575 23 H SER 3 H SER 3 22.641 -11.841 -0.407 24 HA SER 3 HA SER 3 25.548 -11.299 -0.204 25 HB2 SER 3 2HB SER 3 25.894 -12.436 -2.314 26 HB3 SER 3 1HB SER 3 25.012 -13.518 -1.239 27 HG SER 3 HG SER 3 23.098 -12.372 -2.432 28 H GLN 4 H GLN 4 26.440 -10.050 -2.099 29 HA GLN 4 HA GLN 4 24.707 -7.797 -2.684 30 HB2 GLN 4 2HB GLN 4 27.590 -8.338 -3.430 31 HB3 GLN 4 1HB GLN 4 26.732 -6.846 -3.793 32 HG2 GLN 4 2HG GLN 4 26.372 -6.508 -1.367 33 HG3 GLN 4 1HG GLN 4 27.338 -7.946 -1.053 34 HE21 GLN 4 1HE2 GLN 4 28.085 -5.670 -3.601 35 HE22 GLN 4 2HE2 GLN 4 29.521 -5.049 -2.874 36 H ALA 5 H ALA 5 23.323 -9.532 -3.835 37 HA ALA 5 HA ALA 5 24.006 -9.513 -6.713 38 HB1 ALA 5 3HB ALA 5 24.236 -11.772 -5.777 39 HB2 ALA 5 1HB ALA 5 22.919 -11.683 -6.945 40 HB3 ALA 5 2HB ALA 5 22.565 -11.710 -5.218 41 H ASN 6 H ASN 6 22.166 -9.489 -8.167 42 HA ASN 6 HA ASN 6 20.347 -7.478 -7.576 43 HB2 ASN 6 2HB ASN 6 20.144 -9.609 -9.710 44 HB3 ASN 6 1HB ASN 6 19.178 -8.136 -9.660 45 HD21 ASN 6 1HD2 ASN 6 22.355 -9.446 -10.107 46 HD22 ASN 6 2HD2 ASN 6 23.040 -8.058 -10.873 47 H GLU 7 H GLU 7 19.935 -10.977 -7.364 48 HA GLU 7 HA GLU 7 17.174 -11.109 -6.958 49 HB2 GLU 7 2HB GLU 7 17.616 -13.301 -5.876 50 HB3 GLU 7 1HB GLU 7 18.463 -13.107 -7.405 51 HG2 GLU 7 2HG GLU 7 20.520 -12.555 -6.179 52 HG3 GLU 7 1HG GLU 7 19.665 -12.800 -4.657 53 H ASP 8 H ASP 8 19.776 -10.628 -4.571 54 HA ASP 8 HA ASP 8 18.118 -10.711 -2.274 55 HB2 ASP 8 2HB ASP 8 20.760 -9.276 -2.646 56 HB3 ASP 8 1HB ASP 8 20.016 -9.689 -1.104 57 H PHE 9 H PHE 9 19.205 -8.038 -4.340 58 HA PHE 9 HA PHE 9 18.079 -5.954 -2.782 59 HB2 PHE 9 2HB PHE 9 18.740 -6.006 -5.736 60 HB3 PHE 9 1HB PHE 9 18.356 -4.556 -4.814 61 HD1 PHE 9 HD1 PHE 9 19.847 -4.523 -2.477 62 HD2 PHE 9 HD2 PHE 9 20.983 -6.219 -6.219 63 HE1 PHE 9 HE1 PHE 9 22.218 -4.261 -1.874 64 HE2 PHE 9 HE2 PHE 9 23.355 -5.961 -5.616 65 HZ PHE 9 HZ PHE 9 23.975 -4.984 -3.444 66 H LYS 10 H LYS 10 16.849 -7.634 -5.697 67 HA LYS 10 HA LYS 10 14.415 -6.207 -5.823 68 HB2 LYS 10 2HB LYS 10 13.634 -7.880 -7.372 69 HB3 LYS 10 1HB LYS 10 15.326 -7.546 -7.709 70 HG2 LYS 10 2HG LYS 10 15.993 -9.593 -6.612 71 HG3 LYS 10 1HG LYS 10 14.323 -9.919 -6.147 72 HD2 LYS 10 2HD LYS 10 15.333 -9.722 -8.991 73 HD3 LYS 10 1HD LYS 10 15.034 -11.228 -8.121 74 HE2 LYS 10 2HE LYS 10 12.661 -10.603 -7.886 75 HE3 LYS 10 1HE LYS 10 12.970 -9.120 -8.788 76 HZ1 LYS 10 3HZ LYS 10 13.617 -10.468 -10.692 77 HZ2 LYS 10 1HZ LYS 10 12.037 -10.825 -10.209 78 HZ3 LYS 10 2HZ LYS 10 13.300 -11.879 -9.825 79 H LYS 11 H LYS 11 15.351 -9.105 -4.044 80 HA LYS 11 HA LYS 11 12.890 -10.065 -3.201 81 HB2 LYS 11 2HB LYS 11 14.986 -11.222 -2.721 82 HB3 LYS 11 1HB LYS 11 15.493 -9.919 -1.656 83 HG2 LYS 11 2HG LYS 11 13.602 -10.458 -0.151 84 HG3 LYS 11 1HG LYS 11 13.188 -11.816 -1.202 85 HD2 LYS 11 2HD LYS 11 15.328 -12.864 -0.761 86 HD3 LYS 11 1HD LYS 11 15.862 -11.464 0.170 87 HE2 LYS 11 2HE LYS 11 15.214 -13.209 1.691 88 HE3 LYS 11 1HE LYS 11 14.035 -11.903 1.790 89 HZ1 LYS 11 3HZ LYS 11 13.681 -14.405 0.236 90 HZ2 LYS 11 1HZ LYS 11 12.531 -13.181 0.424 91 HZ3 LYS 11 2HZ LYS 11 13.010 -14.105 1.754 92 H ILE 12 H ILE 12 14.853 -7.491 -1.710 93 HA ILE 12 HA ILE 12 13.197 -6.851 0.442 94 HB ILE 12 HB ILE 12 14.840 -4.925 -1.230 95 HG12 ILE 12 2HG1 ILE 12 15.605 -6.484 1.262 96 HG13 ILE 12 1HG1 ILE 12 16.166 -6.828 -0.370 97 HG21 ILE 12 1HG2 ILE 12 14.891 -3.516 0.770 98 HG22 ILE 12 2HG2 ILE 12 13.851 -4.662 1.615 99 HG23 ILE 12 3HG2 ILE 12 13.235 -3.775 0.221 100 HD11 ILE 12 3HD1 ILE 12 16.729 -4.308 1.183 101 HD12 ILE 12 1HD1 ILE 12 17.311 -4.678 -0.440 102 HD13 ILE 12 2HD1 ILE 12 17.847 -5.648 0.932 103 H VAL 13 H VAL 13 13.084 -5.696 -2.911 104 HA VAL 13 HA VAL 13 10.878 -3.921 -2.523 105 HB VAL 13 HB VAL 13 11.823 -5.129 -5.133 106 HG11 VAL 13 1HG1 VAL 13 10.331 -2.574 -4.520 107 HG12 VAL 13 2HG1 VAL 13 9.672 -4.010 -5.306 108 HG13 VAL 13 3HG1 VAL 13 10.916 -3.055 -6.114 109 HG21 VAL 13 3HG2 VAL 13 13.257 -3.139 -5.358 110 HG22 VAL 13 1HG2 VAL 13 13.719 -4.129 -3.974 111 HG23 VAL 13 2HG2 VAL 13 12.807 -2.640 -3.727 112 H ASN 14 H ASN 14 11.164 -7.304 -3.404 113 HA ASN 14 HA ASN 14 8.445 -7.652 -4.244 114 HB2 ASN 14 2HB ASN 14 10.618 -9.605 -3.475 115 HB3 ASN 14 1HB ASN 14 9.006 -10.123 -3.958 116 HD21 ASN 14 1HD2 ASN 14 10.654 -7.363 -5.358 117 HD22 ASN 14 2HD2 ASN 14 10.857 -8.061 -6.921 118 H ASN 15 H ASN 15 9.929 -7.400 -1.180 119 HA ASN 15 HA ASN 15 7.619 -8.692 0.142 120 HB2 ASN 15 2HB ASN 15 10.520 -8.531 0.970 121 HB3 ASN 15 1HB ASN 15 9.245 -8.955 2.108 122 HD21 ASN 15 1HD2 ASN 15 10.890 -9.924 -0.807 123 HD22 ASN 15 2HD2 ASN 15 10.425 -11.583 -0.746 124 H ILE 16 H ILE 16 7.884 -5.853 -0.727 125 HA ILE 16 HA ILE 16 8.194 -4.215 1.574 126 HB ILE 16 HB ILE 16 6.642 -3.665 -0.970 127 HG12 ILE 16 2HG1 ILE 16 9.456 -2.877 -0.157 128 HG13 ILE 16 1HG1 ILE 16 9.042 -4.108 -1.345 129 HG21 ILE 16 1HG2 ILE 16 6.851 -1.290 -0.361 130 HG22 ILE 16 2HG2 ILE 16 7.577 -1.756 1.177 131 HG23 ILE 16 3HG2 ILE 16 5.906 -2.193 0.822 132 HD11 ILE 16 3HD1 ILE 16 8.026 -2.399 -2.759 133 HD12 ILE 16 1HD1 ILE 16 9.717 -2.040 -2.413 134 HD13 ILE 16 2HD1 ILE 16 8.440 -1.166 -1.568 135 H ARG 17 H ARG 17 7.008 -5.105 3.279 136 HA ARG 17 HA ARG 17 4.105 -5.394 2.990 137 HB2 ARG 17 2HB ARG 17 5.707 -7.075 4.171 138 HB3 ARG 17 1HB ARG 17 5.666 -5.939 5.510 139 HG2 ARG 17 2HG ARG 17 4.046 -7.614 5.958 140 HG3 ARG 17 1HG ARG 17 3.161 -6.157 5.498 141 HD2 ARG 17 2HD ARG 17 2.932 -7.041 3.207 142 HD3 ARG 17 1HD ARG 17 3.779 -8.507 3.700 143 HE ARG 17 HE ARG 17 1.389 -7.870 5.215 144 HH11 ARG 17 1HH1 ARG 17 2.772 -9.651 2.605 145 HH12 ARG 17 2HH1 ARG 17 1.451 -10.763 2.522 146 HH21 ARG 17 1HH2 ARG 17 -0.303 -9.277 5.085 147 HH22 ARG 17 2HH2 ARG 17 -0.281 -10.549 3.913 148 H LEU 18 H LEU 18 2.605 -4.233 4.244 149 HA LEU 18 HA LEU 18 3.350 -1.552 4.883 150 HB2 LEU 18 2HB LEU 18 0.911 -1.391 5.614 151 HB3 LEU 18 1HB LEU 18 1.245 -1.740 3.933 152 HG LEU 18 HG LEU 18 0.707 -4.122 4.311 153 HD11 LEU 18 1HD1 LEU 18 -0.025 -3.260 7.111 154 HD12 LEU 18 2HD1 LEU 18 1.290 -4.345 6.658 155 HD13 LEU 18 3HD1 LEU 18 -0.382 -4.830 6.390 156 HD21 LEU 18 3HD2 LEU 18 -1.430 -2.174 5.183 157 HD22 LEU 18 1HD2 LEU 18 -1.719 -3.830 4.644 158 HD23 LEU 18 2HD2 LEU 18 -1.039 -2.648 3.529 159 H LYS 19 H LYS 19 4.629 -3.503 6.630 160 HA LYS 19 HA LYS 19 4.264 -2.206 9.130 161 HB2 LYS 19 2HB LYS 19 2.290 -3.649 9.253 162 HB3 LYS 19 1HB LYS 19 3.273 -5.066 8.914 163 HG2 LYS 19 2HG LYS 19 4.332 -4.955 11.033 164 HG3 LYS 19 1HG LYS 19 3.698 -3.339 11.346 165 HD2 LYS 19 2HD LYS 19 2.486 -5.052 12.624 166 HD3 LYS 19 1HD LYS 19 1.428 -4.231 11.474 167 HE2 LYS 19 2HE LYS 19 1.735 -6.139 9.909 168 HE3 LYS 19 1HE LYS 19 2.684 -6.961 11.149 169 HZ1 LYS 19 3HZ LYS 19 0.756 -6.918 12.599 170 HZ2 LYS 19 1HZ LYS 19 0.395 -7.712 11.151 171 HZ3 LYS 19 2HZ LYS 19 -0.153 -6.134 11.411 172 H ASP 20 H ASP 20 5.437 -5.140 7.528 173 HA ASP 20 HA ASP 20 7.771 -5.348 9.207 174 HB2 ASP 20 2HB ASP 20 6.788 -7.373 8.327 175 HB3 ASP 20 1HB ASP 20 6.943 -6.787 6.674 176 H THR 21 H THR 21 6.962 -3.505 6.449 177 HA THR 21 HA THR 21 9.817 -3.015 5.844 178 HB THR 21 HB THR 21 7.535 -2.884 3.861 179 HG1 THR 21 HG1 THR 21 9.342 -4.707 3.189 180 HG21 THR 21 3HG2 THR 21 9.345 -1.317 3.340 181 HG22 THR 21 1HG2 THR 21 9.310 -2.646 2.180 182 HG23 THR 21 2HG2 THR 21 10.522 -2.625 3.462 183 H PHE 22 H PHE 22 6.570 -1.492 5.619 184 HA PHE 22 HA PHE 22 7.699 1.041 6.526 185 HB2 PHE 22 2HB PHE 22 7.031 2.340 4.644 186 HB3 PHE 22 1HB PHE 22 7.907 0.964 3.985 187 HD1 PHE 22 HD1 PHE 22 6.366 -1.113 3.361 188 HD2 PHE 22 HD2 PHE 22 5.014 2.913 3.674 189 HE1 PHE 22 HE1 PHE 22 4.438 -1.649 1.929 190 HE2 PHE 22 HE2 PHE 22 3.089 2.382 2.242 191 HZ PHE 22 HZ PHE 22 2.796 0.098 1.372 192 H ASP 23 H ASP 23 6.065 2.599 7.151 193 HA ASP 23 HA ASP 23 3.356 1.450 7.516 194 HB2 ASP 23 2HB ASP 23 4.612 3.672 9.148 195 HB3 ASP 23 1HB ASP 23 3.117 2.814 9.491 196 H PHE 24 H PHE 24 1.921 2.352 6.081 197 HA PHE 24 HA PHE 24 2.402 5.093 5.175 198 HB2 PHE 24 2HB PHE 24 0.802 4.701 3.425 199 HB3 PHE 24 1HB PHE 24 1.921 3.348 3.477 200 HD1 PHE 24 HD1 PHE 24 1.159 1.175 4.494 201 HD2 PHE 24 HD2 PHE 24 -1.519 4.384 3.657 202 HE1 PHE 24 HE1 PHE 24 -0.736 -0.388 4.553 203 HE2 PHE 24 HE2 PHE 24 -3.415 2.820 3.721 204 HZ PHE 24 HZ PHE 24 -3.023 0.429 4.168 205 H LYS 25 H LYS 25 1.298 6.786 5.838 206 HA LYS 25 HA LYS 25 -0.982 6.360 7.662 207 HB2 LYS 25 2HB LYS 25 1.042 7.399 8.653 208 HB3 LYS 25 1HB LYS 25 0.917 8.713 7.489 209 HG2 LYS 25 2HG LYS 25 -1.284 9.315 8.454 210 HG3 LYS 25 1HG LYS 25 -1.077 8.039 9.658 211 HD2 LYS 25 2HD LYS 25 -0.453 10.217 10.584 212 HD3 LYS 25 1HD LYS 25 0.953 9.152 10.488 213 HE2 LYS 25 2HE LYS 25 1.578 10.250 8.351 214 HE3 LYS 25 1HE LYS 25 0.232 11.368 8.566 215 HZ1 LYS 25 3HZ LYS 25 2.238 12.389 9.311 216 HZ2 LYS 25 1HZ LYS 25 2.609 11.084 10.325 217 HZ3 LYS 25 2HZ LYS 25 1.281 12.078 10.666 218 H LEU 26 H LEU 26 -2.922 7.191 7.151 219 HA LEU 26 HA LEU 26 -3.229 8.528 4.585 220 HB2 LEU 26 2HB LEU 26 -5.298 7.478 6.525 221 HB3 LEU 26 1HB LEU 26 -5.650 8.142 4.944 222 HG LEU 26 HG LEU 26 -5.778 5.801 4.697 223 HD11 LEU 26 1HD1 LEU 26 -4.010 5.259 3.121 224 HD12 LEU 26 2HD1 LEU 26 -3.049 6.617 3.709 225 HD13 LEU 26 3HD1 LEU 26 -4.583 6.908 2.888 226 HD21 LEU 26 3HD2 LEU 26 -4.655 5.159 6.773 227 HD22 LEU 26 1HD2 LEU 26 -3.093 5.551 6.057 228 HD23 LEU 26 2HD2 LEU 26 -4.059 4.228 5.400 229 H ALA 27 H ALA 27 -3.946 10.596 4.270 230 HA ALA 27 HA ALA 27 -3.581 12.525 6.278 231 HB1 ALA 27 3HB ALA 27 -4.479 14.127 4.670 232 HB2 ALA 27 1HB ALA 27 -5.083 12.802 3.675 233 HB3 ALA 27 2HB ALA 27 -3.347 13.017 3.898 234 H ALA 28 H ALA 28 -6.640 11.226 4.920 235 HA ALA 28 HA ALA 28 -8.263 12.780 6.729 236 HB1 ALA 28 3HB ALA 28 -9.087 12.204 4.511 237 HB2 ALA 28 1HB ALA 28 -10.151 11.558 5.761 238 HB3 ALA 28 2HB ALA 28 -9.028 10.489 4.919 239 H PHE 29 H PHE 29 -6.608 9.802 6.994 240 HA PHE 29 HA PHE 29 -8.050 9.191 9.497 241 HB2 PHE 29 2HB PHE 29 -7.149 7.111 7.478 242 HB3 PHE 29 1HB PHE 29 -7.932 6.787 9.021 243 HD1 PHE 29 HD1 PHE 29 -10.306 7.517 9.361 244 HD2 PHE 29 HD2 PHE 29 -8.416 7.605 5.547 245 HE1 PHE 29 HE1 PHE 29 -12.510 7.623 8.278 246 HE2 PHE 29 HE2 PHE 29 -10.618 7.714 4.458 247 HZ PHE 29 HZ PHE 29 -12.669 7.722 5.823 248 HA PRO 30 HA PRO 30 -3.348 9.154 9.945 249 HB2 PRO 30 2HB PRO 30 -2.973 11.334 11.464 250 HB3 PRO 30 1HB PRO 30 -3.194 11.466 9.714 251 HG2 PRO 30 2HG PRO 30 -5.201 11.891 11.906 252 HG3 PRO 30 1HG PRO 30 -4.890 12.885 10.470 253 HD2 PRO 30 2HD PRO 30 -6.921 11.051 10.626 254 HD3 PRO 30 1HD PRO 30 -6.141 11.522 9.102 255 H ASN 31 H ASN 31 -6.046 9.178 12.032 256 HA ASN 31 HA ASN 31 -4.472 8.243 14.346 257 HB2 ASN 31 2HB ASN 31 -7.316 9.283 14.197 258 HB3 ASN 31 1HB ASN 31 -6.520 8.729 15.668 259 HD21 ASN 31 1HD2 ASN 31 -3.960 9.859 15.099 260 HD22 ASN 31 2HD2 ASN 31 -4.114 11.570 15.245 261 H GLN 32 H GLN 32 -5.580 6.832 11.802 262 HA GLN 32 HA GLN 32 -6.812 4.561 13.229 263 HB2 GLN 32 2HB GLN 32 -7.527 5.856 10.661 264 HB3 GLN 32 1HB GLN 32 -7.523 4.099 10.635 265 HG2 GLN 32 2HG GLN 32 -9.083 5.818 12.559 266 HG3 GLN 32 1HG GLN 32 -9.738 5.000 11.140 267 HE21 GLN 32 1HE2 GLN 32 -10.478 4.678 13.919 268 HE22 GLN 32 2HE2 GLN 32 -10.218 3.019 14.309 269 H ASN 33 H ASN 33 -6.543 2.468 11.812 270 HA ASN 33 HA ASN 33 -3.674 2.265 11.108 271 HB2 ASN 33 2HB ASN 33 -5.386 0.361 12.721 272 HB3 ASN 33 1HB ASN 33 -3.810 -0.077 12.072 273 HD21 ASN 33 1HD2 ASN 33 -5.492 1.991 14.330 274 HD22 ASN 33 2HD2 ASN 33 -4.114 2.362 15.299 275 H TYR 34 H TYR 34 -3.092 0.741 9.536 276 HA TYR 34 HA TYR 34 -4.977 0.156 7.468 277 HB2 TYR 34 2HB TYR 34 -2.921 -1.274 6.642 278 HB3 TYR 34 1HB TYR 34 -2.846 0.482 6.623 279 HD1 TYR 34 HD1 TYR 34 -2.161 -2.240 9.126 280 HD2 TYR 34 HD2 TYR 34 -0.815 1.359 7.290 281 HE1 TYR 34 HE1 TYR 34 -0.120 -2.309 10.496 282 HE2 TYR 34 HE2 TYR 34 1.228 1.302 8.656 283 HH TYR 34 HH TYR 34 2.234 0.332 10.461 284 H ASP 35 H ASP 35 -5.879 -0.984 9.854 285 HA ASP 35 HA ASP 35 -5.929 -3.847 9.251 286 HB2 ASP 35 2HB ASP 35 -4.192 -3.549 10.945 287 HB3 ASP 35 1HB ASP 35 -5.295 -2.623 11.955 288 H GLN 36 H GLN 36 -7.577 -0.995 10.153 289 HA GLN 36 HA GLN 36 -10.008 -2.483 10.884 290 HB2 GLN 36 2HB GLN 36 -8.981 -0.087 12.430 291 HB3 GLN 36 1HB GLN 36 -10.435 -1.014 12.776 292 HG2 GLN 36 2HG GLN 36 -9.090 -2.965 13.327 293 HG3 GLN 36 1HG GLN 36 -7.618 -2.085 12.914 294 HE21 GLN 36 1HE2 GLN 36 -6.730 -2.293 14.946 295 HE22 GLN 36 2HE2 GLN 36 -7.352 -1.460 16.327 296 H LEU 37 H LEU 37 -8.985 -0.716 8.548 297 HA LEU 37 HA LEU 37 -11.176 1.264 8.592 298 HB2 LEU 37 2HB LEU 37 -8.647 2.016 8.749 299 HB3 LEU 37 1HB LEU 37 -8.666 1.745 7.020 300 HG LEU 37 HG LEU 37 -9.025 4.122 7.670 301 HD11 LEU 37 1HD1 LEU 37 -9.872 3.292 5.522 302 HD12 LEU 37 2HD1 LEU 37 -10.885 4.573 6.184 303 HD13 LEU 37 3HD1 LEU 37 -11.409 2.893 6.288 304 HD21 LEU 37 3HD2 LEU 37 -11.160 4.794 8.651 305 HD22 LEU 37 1HD2 LEU 37 -10.255 3.745 9.741 306 HD23 LEU 37 2HD2 LEU 37 -11.620 3.102 8.830 307 H LEU 38 H LEU 38 -12.433 1.451 6.779 308 HA LEU 38 HA LEU 38 -12.674 -0.754 5.056 309 HB2 LEU 38 2HB LEU 38 -13.838 2.026 4.854 310 HB3 LEU 38 1HB LEU 38 -14.284 0.712 3.786 311 HG LEU 38 HG LEU 38 -15.996 0.925 5.440 312 HD11 LEU 38 1HD1 LEU 38 -16.013 -1.283 6.449 313 HD12 LEU 38 2HD1 LEU 38 -14.279 -1.451 6.171 314 HD13 LEU 38 3HD1 LEU 38 -15.388 -1.368 4.802 315 HD21 LEU 38 3HD2 LEU 38 -14.730 2.139 7.151 316 HD22 LEU 38 1HD2 LEU 38 -13.852 0.663 7.555 317 HD23 LEU 38 2HD2 LEU 38 -15.589 0.764 7.845 318 HA PRO 39 HA PRO 39 -9.365 -0.020 2.152 319 HB2 PRO 39 2HB PRO 39 -10.575 -1.442 0.049 320 HB3 PRO 39 1HB PRO 39 -9.494 -2.108 1.274 321 HG2 PRO 39 2HG PRO 39 -12.478 -2.127 1.164 322 HG3 PRO 39 1HG PRO 39 -11.366 -3.377 1.753 323 HD2 PRO 39 2HD PRO 39 -12.737 -1.836 3.457 324 HD3 PRO 39 1HD PRO 39 -11.060 -2.311 3.805 325 H SER 40 H SER 40 -12.747 0.448 1.108 326 HA SER 40 HA SER 40 -12.184 1.998 -1.181 327 HB2 SER 40 2HB SER 40 -14.409 1.018 -0.739 328 HB3 SER 40 1HB SER 40 -14.631 2.140 0.603 329 HG SER 40 HG SER 40 -14.689 2.605 -2.157 330 H GLN 41 H GLN 41 -12.831 2.993 2.181 331 HA GLN 41 HA GLN 41 -12.584 5.784 1.692 332 HB2 GLN 41 2HB GLN 41 -12.338 4.180 4.245 333 HB3 GLN 41 1HB GLN 41 -12.319 5.938 4.193 334 HG2 GLN 41 2HG GLN 41 -14.592 4.168 3.296 335 HG3 GLN 41 1HG GLN 41 -14.518 5.078 4.803 336 HE21 GLN 41 1HE2 GLN 41 -14.743 7.323 4.739 337 HE22 GLN 41 2HE2 GLN 41 -15.370 8.146 3.357 338 H ILE 42 H ILE 42 -10.257 3.279 2.580 339 HA ILE 42 HA ILE 42 -8.029 4.904 3.113 340 HB ILE 42 HB ILE 42 -8.080 2.173 1.795 341 HG12 ILE 42 2HG1 ILE 42 -7.674 2.950 4.701 342 HG13 ILE 42 1HG1 ILE 42 -9.153 2.265 4.034 343 HG21 ILE 42 1HG2 ILE 42 -5.743 1.971 2.574 344 HG22 ILE 42 2HG2 ILE 42 -5.789 3.654 3.103 345 HG23 ILE 42 3HG2 ILE 42 -5.946 3.262 1.390 346 HD11 ILE 42 3HD1 ILE 42 -7.914 0.224 3.456 347 HD12 ILE 42 1HD1 ILE 42 -7.885 0.575 5.185 348 HD13 ILE 42 2HD1 ILE 42 -6.468 0.915 4.192 349 H TYR 43 H TYR 43 -9.193 3.550 0.041 350 HA TYR 43 HA TYR 43 -7.183 4.558 -1.631 351 HB2 TYR 43 2HB TYR 43 -8.718 2.832 -2.378 352 HB3 TYR 43 1HB TYR 43 -10.083 3.933 -2.233 353 HD1 TYR 43 HD1 TYR 43 -6.706 4.153 -3.869 354 HD2 TYR 43 HD2 TYR 43 -10.930 4.501 -4.308 355 HE1 TYR 43 HE1 TYR 43 -6.405 4.807 -6.219 356 HE2 TYR 43 HE2 TYR 43 -10.636 5.155 -6.659 357 HH TYR 43 HH TYR 43 -7.671 4.808 -8.304 358 H LYS 44 H LYS 44 -10.024 6.136 -0.299 359 HA LYS 44 HA LYS 44 -10.243 8.268 -2.128 360 HB2 LYS 44 2HB LYS 44 -11.045 8.095 0.785 361 HB3 LYS 44 1HB LYS 44 -11.480 9.431 -0.271 362 HG2 LYS 44 2HG LYS 44 -12.260 6.550 -0.720 363 HG3 LYS 44 1HG LYS 44 -13.295 7.783 0.001 364 HD2 LYS 44 2HD LYS 44 -12.149 7.847 -2.800 365 HD3 LYS 44 1HD LYS 44 -13.814 7.449 -2.376 366 HE2 LYS 44 2HE LYS 44 -14.079 9.718 -1.416 367 HE3 LYS 44 1HE LYS 44 -12.433 10.102 -1.917 368 HZ1 LYS 44 3HZ LYS 44 -13.134 9.647 -4.234 369 HZ2 LYS 44 1HZ LYS 44 -13.950 10.951 -3.528 370 HZ3 LYS 44 2HZ LYS 44 -14.724 9.458 -3.689 371 H ASN 45 H ASN 45 -7.895 7.718 0.317 372 HA ASN 45 HA ASN 45 -7.209 10.463 0.815 373 HB2 ASN 45 2HB ASN 45 -5.707 7.894 1.367 374 HB3 ASN 45 1HB ASN 45 -5.175 9.485 1.903 375 HD21 ASN 45 1HD2 ASN 45 -7.571 6.992 2.294 376 HD22 ASN 45 2HD2 ASN 45 -8.201 7.569 3.792 377 H TYR 46 H TYR 46 -6.772 8.595 -1.904 378 HA TYR 46 HA TYR 46 -4.103 9.004 -2.639 379 HB2 TYR 46 2HB TYR 46 -4.715 8.343 -4.829 380 HB3 TYR 46 1HB TYR 46 -5.808 7.482 -3.754 381 HD1 TYR 46 HD2 TYR 46 -8.126 8.766 -3.316 382 HD2 TYR 46 HD1 TYR 46 -5.617 9.361 -6.705 383 HE1 TYR 46 HE2 TYR 46 -10.046 9.634 -4.579 384 HE2 TYR 46 HE1 TYR 46 -7.533 10.233 -7.975 385 HH TYR 46 HH TYR 46 -10.434 11.143 -6.543 386 H TYR 47 H TYR 47 -6.861 11.156 -2.916 387 HA TYR 47 HA TYR 47 -5.445 13.081 -4.561 388 HB2 TYR 47 2HB TYR 47 -7.865 12.741 -4.848 389 HB3 TYR 47 1HB TYR 47 -8.144 13.251 -3.186 390 HD1 TYR 47 HD1 TYR 47 -6.700 14.471 -6.410 391 HD2 TYR 47 HD2 TYR 47 -8.603 15.509 -2.741 392 HE1 TYR 47 HE1 TYR 47 -6.902 16.798 -7.174 393 HE2 TYR 47 HE2 TYR 47 -8.807 17.836 -3.504 394 HH TYR 47 HH TYR 47 -7.636 19.347 -5.126 395 H GLN 48 H GLN 48 -5.633 12.392 -1.250 396 HA GLN 48 HA GLN 48 -5.276 15.166 -0.377 397 HB2 GLN 48 2HB GLN 48 -5.493 12.639 1.274 398 HB3 GLN 48 1HB GLN 48 -5.566 14.291 1.877 399 HG2 GLN 48 2HG GLN 48 -7.640 14.669 0.671 400 HG3 GLN 48 1HG GLN 48 -7.555 13.050 -0.021 401 HE21 GLN 48 1HE2 GLN 48 -9.651 14.199 1.591 402 HE22 GLN 48 2HE2 GLN 48 -9.796 13.198 2.991 403 H GLY 49 H GLY 49 -3.656 12.042 0.317 404 HA2 GLY 49 2HA GLY 49 -1.109 12.419 -0.343 405 HA3 GLY 49 1HA GLY 49 -1.212 13.475 1.058 406 H ILE 50 H ILE 50 0.379 11.021 0.612 407 HA ILE 50 HA ILE 50 -0.542 9.489 2.965 408 HB ILE 50 HB ILE 50 0.667 8.285 0.456 409 HG12 ILE 50 2HG1 ILE 50 -2.151 8.029 1.556 410 HG13 ILE 50 1HG1 ILE 50 -1.695 9.004 0.164 411 HG21 ILE 50 1HG2 ILE 50 1.353 7.093 2.467 412 HG22 ILE 50 2HG2 ILE 50 0.218 6.118 1.537 413 HG23 ILE 50 3HG2 ILE 50 -0.327 6.960 2.988 414 HD11 ILE 50 3HD1 ILE 50 -1.476 6.011 0.379 415 HD12 ILE 50 1HD1 ILE 50 -0.988 6.980 -1.013 416 HD13 ILE 50 2HD1 ILE 50 -2.683 6.917 -0.533 417 H GLU 51 H GLU 51 0.972 9.492 4.521 418 HA GLU 51 HA GLU 51 3.739 10.197 3.824 419 HB2 GLU 51 2HB GLU 51 2.320 10.106 6.498 420 HB3 GLU 51 1HB GLU 51 4.003 10.569 6.278 421 HG2 GLU 51 2HG GLU 51 3.299 12.449 4.872 422 HG3 GLU 51 1HG GLU 51 1.613 11.996 5.116 423 H ILE 52 H ILE 52 5.454 8.851 4.092 424 HA ILE 52 HA ILE 52 4.825 6.058 4.838 425 HB ILE 52 HB ILE 52 7.033 7.090 3.041 426 HG12 ILE 52 2HG1 ILE 52 4.833 7.356 2.005 427 HG13 ILE 52 1HG1 ILE 52 5.734 6.073 1.208 428 HG21 ILE 52 1HG2 ILE 52 6.196 4.262 3.695 429 HG22 ILE 52 2HG2 ILE 52 7.711 5.044 4.146 430 HG23 ILE 52 3HG2 ILE 52 7.362 4.711 2.450 431 HD11 ILE 52 3HD1 ILE 52 3.536 5.697 3.228 432 HD12 ILE 52 1HD1 ILE 52 4.439 4.406 2.438 433 HD13 ILE 52 2HD1 ILE 52 3.406 5.470 1.485 434 H GLN 53 H GLN 53 5.540 5.550 6.822 435 HA GLN 53 HA GLN 53 7.847 6.809 8.027 436 HB2 GLN 53 2HB GLN 53 6.216 4.448 8.995 437 HB3 GLN 53 1HB GLN 53 7.383 5.355 9.944 438 HG2 GLN 53 2HG GLN 53 4.868 6.538 8.779 439 HG3 GLN 53 1HG GLN 53 5.000 5.904 10.417 440 HE21 GLN 53 1HE2 GLN 53 4.530 7.894 11.334 441 HE22 GLN 53 2HE2 GLN 53 5.648 9.209 11.321 442 H GLN 54 H GLN 54 9.888 5.995 8.229 443 HA GLN 54 HA GLN 54 10.657 3.927 6.409 444 HB2 GLN 54 2HB GLN 54 12.959 4.383 7.169 445 HB3 GLN 54 1HB GLN 54 12.100 5.845 6.717 446 HG2 GLN 54 2HG GLN 54 13.261 6.448 8.635 447 HG3 GLN 54 1HG GLN 54 11.630 6.135 9.218 448 HE21 GLN 54 1HE2 GLN 54 12.338 5.749 11.311 449 HE22 GLN 54 2HE2 GLN 54 13.206 4.325 11.748 450 H HIS 55 H HIS 55 11.795 2.005 6.866 451 HA HIS 55 HA HIS 55 12.177 1.025 9.516 452 HB2 HIS 55 2HB HIS 55 9.722 0.228 8.070 453 HB3 HIS 55 1HB HIS 55 10.654 -1.113 8.726 454 HD1 HIS 55 HD1 HIS 55 7.967 1.001 9.660 455 HD2 HIS 55 HD2 HIS 55 11.310 -0.482 11.638 456 HE1 HIS 55 HE1 HIS 55 7.424 1.142 12.101 457 HE2 HIS 55 HE2 HIS 55 9.361 0.032 13.250 458 H LYS 56 H LYS 56 11.634 -0.296 6.216 459 HA LYS 56 HA LYS 56 14.006 -1.982 6.612 460 HB2 LYS 56 2HB LYS 56 11.492 -2.349 5.240 461 HB3 LYS 56 1HB LYS 56 12.829 -2.643 4.141 462 HG2 LYS 56 2HG LYS 56 13.778 -4.162 5.960 463 HG3 LYS 56 1HG LYS 56 12.188 -4.045 6.720 464 HD2 LYS 56 2HD LYS 56 11.147 -4.905 4.673 465 HD3 LYS 56 1HD LYS 56 12.736 -5.007 3.909 466 HE2 LYS 56 2HE LYS 56 11.978 -7.193 4.741 467 HE3 LYS 56 1HE LYS 56 13.445 -6.656 5.559 468 HZ1 LYS 56 3HZ LYS 56 12.079 -5.920 7.422 469 HZ2 LYS 56 1HZ LYS 56 11.862 -7.570 7.121 470 HZ3 LYS 56 2HZ LYS 56 10.684 -6.461 6.636 471 H TYR 57 H TYR 57 15.839 -1.064 6.016 472 HA TYR 57 HA TYR 57 17.490 -0.240 4.701 473 HB2 TYR 57 2HB TYR 57 15.849 -1.882 2.785 474 HB3 TYR 57 1HB TYR 57 17.377 -1.143 2.301 475 HD1 TYR 57 HD2 TYR 57 15.948 -3.319 4.984 476 HD2 TYR 57 HD1 TYR 57 19.357 -2.343 2.625 477 HE1 TYR 57 HE2 TYR 57 17.168 -5.210 5.973 478 HE2 TYR 57 HE1 TYR 57 20.587 -4.231 3.615 479 HH TYR 57 HH TYR 57 20.539 -5.607 5.621 480 H GLN 58 H GLN 58 15.144 1.612 4.925 481 HA GLN 58 HA GLN 58 14.975 3.039 2.457 482 HB2 GLN 58 2HB GLN 58 14.479 3.986 5.294 483 HB3 GLN 58 1HB GLN 58 14.084 4.908 3.849 484 HG2 GLN 58 2HG GLN 58 12.904 2.256 4.666 485 HG3 GLN 58 1HG GLN 58 12.105 3.826 4.715 486 HE21 GLN 58 1HE2 GLN 58 13.214 1.239 2.676 487 HE22 GLN 58 2HE2 GLN 58 12.395 1.750 1.250 488 H ASN 59 H ASN 59 17.175 2.998 1.852 489 HA ASN 59 HA ASN 59 18.805 5.210 2.571 490 HB2 ASN 59 2HB ASN 59 19.134 3.835 4.605 491 HB3 ASN 59 1HB ASN 59 19.669 2.488 3.609 492 HD21 ASN 59 1HD2 ASN 59 20.552 5.825 2.982 493 HD22 ASN 59 2HD2 ASN 59 22.218 5.636 3.379 494 H GLU 60 H GLU 60 18.650 1.925 1.225 495 HA GLU 60 HA GLU 60 20.391 2.779 -0.995 496 HB2 GLU 60 2HB GLU 60 20.873 0.598 0.158 497 HB3 GLU 60 1HB GLU 60 19.326 -0.001 -0.427 498 HG2 GLU 60 2HG GLU 60 20.963 -0.839 -1.902 499 HG3 GLU 60 1HG GLU 60 20.145 0.459 -2.764 500 H LEU 61 H LEU 61 17.101 2.008 -0.199 501 HA LEU 61 HA LEU 61 16.291 2.896 -2.875 502 HB2 LEU 61 2HB LEU 61 14.544 1.218 -3.047 503 HB3 LEU 61 1HB LEU 61 16.116 0.455 -2.936 504 HG LEU 61 HG LEU 61 14.277 0.723 -0.547 505 HD11 LEU 61 1HD1 LEU 61 13.577 -1.578 -0.949 506 HD12 LEU 61 2HD1 LEU 61 14.495 -1.608 -2.455 507 HD13 LEU 61 3HD1 LEU 61 13.109 -0.531 -2.288 508 HD21 LEU 61 3HD2 LEU 61 16.629 -1.093 -1.112 509 HD22 LEU 61 1HD2 LEU 61 15.630 -1.125 0.340 510 HD23 LEU 61 2HD2 LEU 61 16.621 0.288 -0.016 511 H ASP 62 H ASP 62 14.416 4.123 -2.930 512 HA ASP 62 HA ASP 62 13.374 4.953 -0.297 513 HB2 ASP 62 2HB ASP 62 14.451 6.695 -1.681 514 HB3 ASP 62 1HB ASP 62 13.285 6.391 -2.959 515 H ILE 63 H ILE 63 11.333 4.444 0.253 516 HA ILE 63 HA ILE 63 9.538 3.346 -1.810 517 HB ILE 63 HB ILE 63 9.547 2.982 1.191 518 HG12 ILE 63 2HG1 ILE 63 9.975 1.006 -1.065 519 HG13 ILE 63 1HG1 ILE 63 11.253 1.708 -0.084 520 HG21 ILE 63 1HG2 ILE 63 7.239 3.075 0.407 521 HG22 ILE 63 2HG2 ILE 63 7.667 1.432 0.877 522 HG23 ILE 63 3HG2 ILE 63 7.596 1.869 -0.830 523 HD11 ILE 63 3HD1 ILE 63 9.047 -0.094 0.886 524 HD12 ILE 63 1HD1 ILE 63 10.293 0.634 1.900 525 HD13 ILE 63 2HD1 ILE 63 10.740 -0.531 0.655 526 H LYS 64 H LYS 64 7.757 4.391 -2.398 527 HA LYS 64 HA LYS 64 6.169 5.864 -0.483 528 HB2 LYS 64 2HB LYS 64 5.950 7.857 -2.011 529 HB3 LYS 64 1HB LYS 64 7.509 7.699 -1.212 530 HG2 LYS 64 2HG LYS 64 8.553 6.931 -3.201 531 HG3 LYS 64 1HG LYS 64 7.003 6.728 -4.013 532 HD2 LYS 64 2HD LYS 64 8.140 8.736 -4.807 533 HD3 LYS 64 1HD LYS 64 6.652 9.153 -3.962 534 HE2 LYS 64 2HE LYS 64 7.959 9.704 -1.953 535 HE3 LYS 64 1HE LYS 64 9.442 9.295 -2.816 536 HZ1 LYS 64 3HZ LYS 64 7.550 11.467 -3.540 537 HZ2 LYS 64 1HZ LYS 64 8.950 11.062 -4.397 538 HZ3 LYS 64 2HZ LYS 64 9.068 11.670 -2.826 539 H ILE 65 H ILE 65 3.966 6.127 -1.138 540 HA ILE 65 HA ILE 65 3.184 4.039 -3.019 541 HB ILE 65 HB ILE 65 1.503 5.674 -1.107 542 HG12 ILE 65 2HG1 ILE 65 2.516 2.816 -0.974 543 HG13 ILE 65 1HG1 ILE 65 3.014 4.155 0.056 544 HG21 ILE 65 1HG2 ILE 65 0.159 4.982 -3.009 545 HG22 ILE 65 2HG2 ILE 65 -0.292 4.048 -1.582 546 HG23 ILE 65 3HG2 ILE 65 0.719 3.319 -2.831 547 HD11 ILE 65 3HD1 ILE 65 0.276 2.907 -0.033 548 HD12 ILE 65 1HD1 ILE 65 0.749 4.271 0.979 549 HD13 ILE 65 2HD1 ILE 65 1.491 2.691 1.225 550 H ILE 66 H ILE 66 2.273 4.333 -4.943 551 HA ILE 66 HA ILE 66 1.900 6.979 -6.062 552 HB ILE 66 HB ILE 66 1.288 4.276 -7.291 553 HG12 ILE 66 2HG1 ILE 66 3.795 5.965 -7.538 554 HG13 ILE 66 1HG1 ILE 66 3.663 4.453 -6.646 555 HG21 ILE 66 1HG2 ILE 66 1.671 6.985 -8.571 556 HG22 ILE 66 2HG2 ILE 66 0.146 6.113 -8.410 557 HG23 ILE 66 3HG2 ILE 66 1.427 5.467 -9.436 558 HD11 ILE 66 3HD1 ILE 66 4.724 4.083 -8.779 559 HD12 ILE 66 1HD1 ILE 66 3.349 4.802 -9.617 560 HD13 ILE 66 2HD1 ILE 66 3.153 3.283 -8.741 561 H ASN 67 H ASN 67 -0.143 4.096 -5.575 562 HA ASN 67 HA ASN 67 -2.414 5.532 -4.672 563 HB2 ASN 67 2HB ASN 67 -3.916 5.192 -6.581 564 HB3 ASN 67 1HB ASN 67 -2.544 6.188 -7.051 565 HD21 ASN 67 1HD2 ASN 67 -4.272 4.644 -8.762 566 HD22 ASN 67 2HD2 ASN 67 -3.268 3.501 -9.574 567 H PHE 68 H PHE 68 -4.464 3.944 -4.902 568 HA PHE 68 HA PHE 68 -3.534 1.206 -4.279 569 HB2 PHE 68 2HB PHE 68 -6.082 2.566 -3.352 570 HB3 PHE 68 1HB PHE 68 -5.544 0.952 -2.904 571 HD1 PHE 68 HD2 PHE 68 -3.537 0.684 -1.446 572 HD2 PHE 68 HD1 PHE 68 -5.279 4.493 -2.227 573 HE1 PHE 68 HE2 PHE 68 -2.362 1.621 0.505 574 HE2 PHE 68 HE1 PHE 68 -4.109 5.431 -0.282 575 HZ PHE 68 HZ PHE 68 -2.650 3.997 1.089 576 H LEU 69 H LEU 69 -4.435 -0.504 -5.384 577 HA LEU 69 HA LEU 69 -6.854 -0.048 -6.966 578 HB2 LEU 69 2HB LEU 69 -5.931 -1.078 -8.973 579 HB3 LEU 69 1HB LEU 69 -5.071 0.388 -8.554 580 HG LEU 69 HG LEU 69 -4.024 -2.375 -7.903 581 HD11 LEU 69 1HD1 LEU 69 -3.359 -0.637 -10.284 582 HD12 LEU 69 2HD1 LEU 69 -4.273 -2.144 -10.330 583 HD13 LEU 69 3HD1 LEU 69 -2.576 -2.159 -9.854 584 HD21 LEU 69 3HD2 LEU 69 -3.071 -0.583 -6.550 585 HD22 LEU 69 1HD2 LEU 69 -2.680 0.331 -8.007 586 HD23 LEU 69 2HD2 LEU 69 -1.875 -1.204 -7.685 587 H TYR 70 H TYR 70 -7.772 -2.094 -7.840 588 HA TYR 70 HA TYR 70 -7.712 -4.129 -5.768 589 HB2 TYR 70 2HB TYR 70 -9.407 -3.984 -8.281 590 HB3 TYR 70 1HB TYR 70 -9.682 -5.036 -6.895 591 HD1 TYR 70 HD1 TYR 70 -9.437 -3.342 -4.585 592 HD2 TYR 70 HD2 TYR 70 -11.116 -2.409 -8.391 593 HE1 TYR 70 HE1 TYR 70 -10.823 -1.602 -3.540 594 HE2 TYR 70 HE2 TYR 70 -12.505 -0.664 -7.350 595 HH TYR 70 HH TYR 70 -11.988 0.443 -4.164 596 HA PRO 71 HA PRO 71 -5.376 -7.212 -8.061 597 HB2 PRO 71 2HB PRO 71 -6.752 -9.524 -7.672 598 HB3 PRO 71 1HB PRO 71 -5.826 -8.735 -6.390 599 HG2 PRO 71 2HG PRO 71 -8.777 -8.632 -6.932 600 HG3 PRO 71 1HG PRO 71 -7.932 -8.850 -5.387 601 HD2 PRO 71 2HD PRO 71 -8.947 -6.461 -6.162 602 HD3 PRO 71 1HD PRO 71 -7.479 -6.592 -5.172 603 H ASP 72 H ASP 72 -7.134 -5.695 -9.755 604 HA ASP 72 HA ASP 72 -8.337 -5.673 -11.673 605 HB2 ASP 72 2HB ASP 72 -6.486 -8.007 -12.178 606 HB3 ASP 72 1HB ASP 72 -7.530 -7.326 -13.424 607 H GLY 73 H GLY 73 -10.305 -6.152 -10.545 608 HA2 GLY 73 2HA GLY 73 -11.752 -8.338 -11.649 609 HA3 GLY 73 1HA GLY 73 -11.330 -8.667 -9.976 610 H ASP 74 H ASP 74 -12.809 -8.089 -8.520 611 HA ASP 74 HA ASP 74 -14.842 -6.092 -9.298 612 HB2 ASP 74 2HB ASP 74 -15.664 -8.430 -9.233 613 HB3 ASP 74 1HB ASP 74 -15.189 -8.535 -7.542 614 H PHE 75 H PHE 75 -15.447 -4.543 -7.845 615 HA PHE 75 HA PHE 75 -13.652 -3.812 -5.786 616 HB2 PHE 75 2HB PHE 75 -15.344 -2.028 -5.270 617 HB3 PHE 75 1HB PHE 75 -14.840 -2.089 -6.954 618 HD1 PHE 75 HD1 PHE 75 -16.373 -2.870 -8.691 619 HD2 PHE 75 HD2 PHE 75 -17.619 -2.554 -4.631 620 HE1 PHE 75 HE1 PHE 75 -18.721 -3.022 -9.403 621 HE2 PHE 75 HE2 PHE 75 -19.969 -2.706 -5.341 622 HZ PHE 75 HZ PHE 75 -20.524 -2.940 -7.728 623 H GLY 76 H GLY 76 -16.859 -5.344 -5.688 624 HA2 GLY 76 2HA GLY 76 -17.139 -5.290 -2.850 625 HA3 GLY 76 1HA GLY 76 -18.035 -6.318 -3.961 626 H SER 77 H SER 77 -15.975 -7.783 -5.112 627 HA SER 77 HA SER 77 -15.375 -9.794 -3.256 628 HB2 SER 77 2HB SER 77 -13.963 -9.101 -5.854 629 HB3 SER 77 1HB SER 77 -13.695 -10.588 -4.944 630 HG SER 77 HG SER 77 -15.489 -10.215 -6.777 631 H ALA 78 H ALA 78 -13.464 -6.992 -4.281 632 HA ALA 78 HA ALA 78 -11.121 -7.556 -2.810 633 HB1 ALA 78 3HB ALA 78 -11.199 -5.893 -4.604 634 HB2 ALA 78 1HB ALA 78 -10.577 -5.193 -3.110 635 HB3 ALA 78 2HB ALA 78 -12.236 -4.866 -3.615 636 H ASN 79 H ASN 79 -14.071 -5.763 -1.930 637 HA ASN 79 HA ASN 79 -13.200 -5.047 0.688 638 HB2 ASN 79 2HB ASN 79 -15.047 -3.885 -0.458 639 HB3 ASN 79 1HB ASN 79 -16.017 -5.354 -0.396 640 HD21 ASN 79 1HD2 ASN 79 -17.048 -5.891 1.482 641 HD22 ASN 79 2HD2 ASN 79 -17.059 -4.892 2.890 642 H LYS 80 H LYS 80 -14.816 -7.847 -0.656 643 HA LYS 80 HA LYS 80 -15.519 -9.180 1.716 644 HB2 LYS 80 2HB LYS 80 -16.493 -10.121 -0.160 645 HB3 LYS 80 1HB LYS 80 -15.025 -10.010 -1.117 646 HG2 LYS 80 2HG LYS 80 -14.080 -11.919 -0.031 647 HG3 LYS 80 1HG LYS 80 -15.383 -11.964 1.152 648 HD2 LYS 80 2HD LYS 80 -16.988 -12.515 -0.610 649 HD3 LYS 80 1HD LYS 80 -15.712 -12.397 -1.825 650 HE2 LYS 80 2HE LYS 80 -15.773 -14.373 0.461 651 HE3 LYS 80 1HE LYS 80 -16.209 -14.730 -1.211 652 HZ1 LYS 80 3HZ LYS 80 -13.940 -14.108 -1.855 653 HZ2 LYS 80 1HZ LYS 80 -13.971 -15.426 -0.796 654 HZ3 LYS 80 2HZ LYS 80 -13.536 -13.898 -0.225 655 H ASN 81 H ASN 81 -12.606 -9.617 -0.319 656 HA ASN 81 HA ASN 81 -11.428 -11.374 1.657 657 HB2 ASN 81 2HB ASN 81 -9.569 -11.566 0.027 658 HB3 ASN 81 1HB ASN 81 -11.146 -11.913 -0.678 659 HD21 ASN 81 1HD2 ASN 81 -10.561 -11.458 -2.763 660 HD22 ASN 81 2HD2 ASN 81 -10.191 -9.864 -3.311 661 H GLY 82 H GLY 82 -11.382 -8.014 1.035 662 HA2 GLY 82 2HA GLY 82 -10.364 -6.284 2.148 663 HA3 GLY 82 1HA GLY 82 -9.875 -7.453 3.360 664 H THR 83 H THR 83 -8.997 -7.397 -0.065 665 HA THR 83 HA THR 83 -6.172 -6.961 0.722 666 HB THR 83 HB THR 83 -5.469 -8.336 -1.174 667 HG1 THR 83 HG1 THR 83 -8.231 -8.334 -1.714 668 HG21 THR 83 3HG2 THR 83 -6.240 -10.536 -0.377 669 HG22 THR 83 1HG2 THR 83 -7.497 -9.741 0.574 670 HG23 THR 83 2HG2 THR 83 -5.796 -9.474 0.958 671 H LEU 84 H LEU 84 -4.947 -5.562 -0.455 672 HA LEU 84 HA LEU 84 -6.140 -4.271 -2.819 673 HB2 LEU 84 2HB LEU 84 -4.842 -2.860 -0.478 674 HB3 LEU 84 1HB LEU 84 -5.185 -2.087 -2.013 675 HG LEU 84 HG LEU 84 -7.253 -3.232 -0.123 676 HD11 LEU 84 1HD1 LEU 84 -6.512 -0.373 -0.750 677 HD12 LEU 84 2HD1 LEU 84 -6.249 -1.218 0.776 678 HD13 LEU 84 3HD1 LEU 84 -7.890 -0.881 0.225 679 HD21 LEU 84 3HD2 LEU 84 -7.934 -3.400 -2.480 680 HD22 LEU 84 1HD2 LEU 84 -7.630 -1.674 -2.687 681 HD23 LEU 84 2HD2 LEU 84 -8.905 -2.223 -1.598 682 H LYS 85 H LYS 85 -4.661 -3.498 -4.352 683 HA LYS 85 HA LYS 85 -1.976 -4.623 -4.207 684 HB2 LYS 85 2HB LYS 85 -3.488 -3.230 -6.426 685 HB3 LYS 85 1HB LYS 85 -1.822 -3.767 -6.583 686 HG2 LYS 85 2HG LYS 85 -4.151 -5.586 -5.976 687 HG3 LYS 85 1HG LYS 85 -3.485 -5.309 -7.586 688 HD2 LYS 85 2HD LYS 85 -1.298 -6.155 -6.800 689 HD3 LYS 85 1HD LYS 85 -2.011 -6.479 -5.219 690 HE2 LYS 85 2HE LYS 85 -1.922 -8.525 -6.514 691 HE3 LYS 85 1HE LYS 85 -3.601 -8.039 -6.283 692 HZ1 LYS 85 3HZ LYS 85 -3.276 -8.732 -8.536 693 HZ2 LYS 85 1HZ LYS 85 -1.973 -7.675 -8.741 694 HZ3 LYS 85 2HZ LYS 85 -3.532 -7.063 -8.532 695 H LEU 86 H LEU 86 -0.389 -3.454 -3.351 696 HA LEU 86 HA LEU 86 -0.602 -0.568 -3.113 697 HB2 LEU 86 2HB LEU 86 1.447 -2.555 -2.124 698 HB3 LEU 86 1HB LEU 86 1.620 -0.827 -1.910 699 HG LEU 86 HG LEU 86 0.797 -1.791 0.135 700 HD11 LEU 86 1HD1 LEU 86 -1.376 -0.279 -1.312 701 HD12 LEU 86 2HD1 LEU 86 -0.046 0.411 -0.381 702 HD13 LEU 86 3HD1 LEU 86 -1.298 -0.529 0.431 703 HD21 LEU 86 3HD2 LEU 86 -0.188 -3.830 -0.732 704 HD22 LEU 86 1HD2 LEU 86 -1.476 -2.909 -1.510 705 HD23 LEU 86 2HD2 LEU 86 -1.365 -2.958 0.251 706 H SER 87 H SER 87 -0.030 0.657 -4.800 707 HA SER 87 HA SER 87 2.054 -0.149 -6.658 708 HB2 SER 87 2HB SER 87 0.486 2.445 -6.478 709 HB3 SER 87 1HB SER 87 1.567 1.996 -7.795 710 HG SER 87 HG SER 87 -0.872 1.588 -7.891 711 H LEU 88 H LEU 88 4.073 -0.088 -5.690 712 HA LEU 88 HA LEU 88 4.854 2.403 -4.326 713 HB2 LEU 88 2HB LEU 88 6.204 -0.301 -4.452 714 HB3 LEU 88 1HB LEU 88 6.950 1.113 -3.738 715 HG LEU 88 HG LEU 88 6.088 -0.182 -1.949 716 HD11 LEU 88 1HD1 LEU 88 4.458 1.303 -0.911 717 HD12 LEU 88 2HD1 LEU 88 4.155 2.075 -2.467 718 HD13 LEU 88 3HD1 LEU 88 5.741 2.214 -1.706 719 HD21 LEU 88 3HD2 LEU 88 3.424 -0.228 -3.365 720 HD22 LEU 88 1HD2 LEU 88 3.780 -0.924 -1.783 721 HD23 LEU 88 2HD2 LEU 88 4.546 -1.583 -3.227 722 H MET 89 H MET 89 6.037 3.906 -5.357 723 HA MET 89 HA MET 89 7.599 3.105 -7.716 724 HB2 MET 89 2HB MET 89 7.995 5.585 -8.000 725 HB3 MET 89 1HB MET 89 6.328 5.064 -8.178 726 HG2 MET 89 2HG MET 89 5.728 5.956 -6.070 727 HG3 MET 89 1HG MET 89 7.411 6.200 -5.614 728 HE1 MET 89 3HE MET 89 5.392 8.657 -8.976 729 HE2 MET 89 1HE MET 89 4.541 7.393 -8.090 730 HE3 MET 89 2HE MET 89 5.885 6.974 -9.153 731 H LEU 90 H LEU 90 9.489 2.260 -7.156 732 HA LEU 90 HA LEU 90 10.854 3.097 -4.737 733 HB2 LEU 90 2HB LEU 90 11.523 0.961 -6.772 734 HB3 LEU 90 1HB LEU 90 12.465 1.276 -5.329 735 HG LEU 90 HG LEU 90 11.127 -0.616 -4.848 736 HD11 LEU 90 1HD1 LEU 90 9.708 0.135 -3.012 737 HD12 LEU 90 2HD1 LEU 90 9.782 1.786 -3.623 738 HD13 LEU 90 3HD1 LEU 90 11.246 0.999 -3.032 739 HD21 LEU 90 3HD2 LEU 90 8.703 -0.691 -5.124 740 HD22 LEU 90 1HD2 LEU 90 9.509 -0.400 -6.666 741 HD23 LEU 90 2HD2 LEU 90 8.723 0.931 -5.815 742 H THR 91 H THR 91 11.975 4.964 -4.910 743 HA THR 91 HA THR 91 13.518 5.593 -7.281 744 HB THR 91 HB THR 91 13.427 6.963 -4.582 745 HG1 THR 91 HG1 THR 91 12.376 7.789 -7.103 746 HG21 THR 91 3HG2 THR 91 14.608 8.823 -5.674 747 HG22 THR 91 1HG2 THR 91 14.778 7.851 -7.135 748 HG23 THR 91 2HG2 THR 91 15.591 7.359 -5.649 749 H ASP 92 H ASP 92 15.164 4.223 -7.612 750 HA ASP 92 HA ASP 92 16.766 2.979 -5.678 751 HB2 ASP 92 2HB ASP 92 16.479 2.426 -8.158 752 HB3 ASP 92 1HB ASP 92 17.635 3.710 -8.484 753 H LYS 93 H LYS 93 18.678 3.576 -4.654 754 HA LYS 93 HA LYS 93 19.389 6.414 -4.796 755 HB2 LYS 93 2HB LYS 93 20.301 4.249 -2.891 756 HB3 LYS 93 1HB LYS 93 20.739 5.949 -2.771 757 HG2 LYS 93 2HG LYS 93 17.902 4.930 -2.642 758 HG3 LYS 93 1HG LYS 93 18.917 5.204 -1.227 759 HD2 LYS 93 2HD LYS 93 19.140 7.588 -1.910 760 HD3 LYS 93 1HD LYS 93 18.015 7.277 -3.236 761 HE2 LYS 93 2HE LYS 93 16.256 6.720 -1.687 762 HE3 LYS 93 1HE LYS 93 17.366 6.813 -0.321 763 HZ1 LYS 93 3HZ LYS 93 17.650 9.188 -0.812 764 HZ2 LYS 93 1HZ LYS 93 16.048 8.796 -0.433 765 HZ3 LYS 93 2HZ LYS 93 16.496 9.071 -2.040 766 H LYS 94 H LYS 94 20.733 3.294 -5.648 767 HA LYS 94 HA LYS 94 23.404 4.420 -6.059 768 HB2 LYS 94 2HB LYS 94 24.141 2.136 -6.420 769 HB3 LYS 94 1HB LYS 94 23.163 2.214 -4.961 770 HG2 LYS 94 2HG LYS 94 21.222 1.494 -6.527 771 HG3 LYS 94 1HG LYS 94 22.511 0.989 -7.613 772 HD2 LYS 94 2HD LYS 94 22.066 0.031 -4.779 773 HD3 LYS 94 1HD LYS 94 21.735 -0.876 -6.252 774 HE2 LYS 94 2HE LYS 94 23.770 -1.749 -5.587 775 HE3 LYS 94 1HE LYS 94 24.264 -0.515 -6.743 776 HZ1 LYS 94 3HZ LYS 94 25.547 -0.565 -4.626 777 HZ2 LYS 94 1HZ LYS 94 24.156 -0.060 -3.811 778 HZ3 LYS 94 2HZ LYS 94 24.866 0.939 -4.980 779 H ASN 95 H ASN 95 20.696 3.173 -7.960 780 HA ASN 95 HA ASN 95 22.109 3.817 -10.461 781 HB2 ASN 95 2HB ASN 95 19.457 2.414 -10.023 782 HB3 ASN 95 1HB ASN 95 20.206 2.696 -11.592 783 HD21 ASN 95 1HD2 ASN 95 20.288 0.839 -8.675 784 HD22 ASN 95 2HD2 ASN 95 21.443 -0.325 -9.220 785 H ASN 96 H ASN 96 19.738 5.083 -8.333 786 HA ASN 96 HA ASN 96 18.469 6.961 -8.321 787 HB2 ASN 96 2HB ASN 96 20.258 7.746 -10.633 788 HB3 ASN 96 1HB ASN 96 19.142 8.841 -9.817 789 HD21 ASN 96 1HD2 ASN 96 22.133 7.145 -9.607 790 HD22 ASN 96 2HD2 ASN 96 22.683 7.879 -8.143 791 H GLN 97 H GLN 97 17.660 4.645 -10.026 792 HA GLN 97 HA GLN 97 15.867 6.039 -11.915 793 HB2 GLN 97 2HB GLN 97 16.637 3.110 -11.859 794 HB3 GLN 97 1HB GLN 97 15.644 3.899 -13.078 795 HG2 GLN 97 2HG GLN 97 18.555 4.458 -12.526 796 HG3 GLN 97 1HG GLN 97 17.910 3.537 -13.882 797 HE21 GLN 97 1HE2 GLN 97 19.531 6.003 -13.791 798 HE22 GLN 97 2HE2 GLN 97 18.644 7.161 -14.715 799 H VAL 98 H VAL 98 13.623 5.612 -11.877 800 HA VAL 98 HA VAL 98 12.677 4.565 -9.304 801 HB VAL 98 HB VAL 98 11.943 6.805 -9.800 802 HG11 VAL 98 1HG1 VAL 98 12.094 6.759 -12.229 803 HG12 VAL 98 2HG1 VAL 98 10.509 7.338 -11.717 804 HG13 VAL 98 3HG1 VAL 98 10.696 5.689 -12.315 805 HG21 VAL 98 3HG2 VAL 98 9.503 6.523 -9.595 806 HG22 VAL 98 1HG2 VAL 98 10.388 5.405 -8.557 807 HG23 VAL 98 2HG2 VAL 98 9.665 4.830 -10.060 808 H TYR 99 H TYR 99 12.016 2.537 -9.218 809 HA TYR 99 HA TYR 99 10.864 1.252 -11.615 810 HB2 TYR 99 2HB TYR 99 12.856 0.163 -10.674 811 HB3 TYR 99 1HB TYR 99 12.062 0.030 -9.110 812 HD1 TYR 99 HD2 TYR 99 11.957 -1.161 -12.622 813 HD2 TYR 99 HD1 TYR 99 10.623 -1.811 -8.628 814 HE1 TYR 99 HE2 TYR 99 11.081 -3.362 -13.275 815 HE2 TYR 99 HE1 TYR 99 9.744 -4.014 -9.276 816 HH TYR 99 HH TYR 99 8.960 -5.138 -11.380 817 H TYR 100 H TYR 100 8.779 0.502 -11.616 818 HA TYR 100 HA TYR 100 7.144 1.065 -9.256 819 HB2 TYR 100 2HB TYR 100 6.329 0.287 -12.069 820 HB3 TYR 100 1HB TYR 100 5.212 0.674 -10.766 821 HD1 TYR 100 HD2 TYR 100 7.018 2.999 -9.672 822 HD2 TYR 100 HD1 TYR 100 5.502 2.027 -13.532 823 HE1 TYR 100 HE2 TYR 100 7.093 5.375 -10.296 824 HE2 TYR 100 HE1 TYR 100 5.575 4.400 -14.162 825 HH TYR 100 HH TYR 100 5.555 6.604 -13.055 826 H LYS 101 H LYS 101 6.319 -0.452 -7.948 827 HA LYS 101 HA LYS 101 6.350 -3.281 -8.804 828 HB2 LYS 101 2HB LYS 101 8.299 -2.938 -7.402 829 HB3 LYS 101 1HB LYS 101 7.325 -2.156 -6.166 830 HG2 LYS 101 2HG LYS 101 7.821 -4.365 -5.427 831 HG3 LYS 101 1HG LYS 101 6.111 -4.311 -5.849 832 HD2 LYS 101 2HD LYS 101 6.753 -5.268 -8.100 833 HD3 LYS 101 1HD LYS 101 8.371 -5.523 -7.435 834 HE2 LYS 101 2HE LYS 101 7.445 -6.954 -5.690 835 HE3 LYS 101 1HE LYS 101 5.815 -6.674 -6.304 836 HZ1 LYS 101 3HZ LYS 101 8.026 -8.057 -7.721 837 HZ2 LYS 101 1HZ LYS 101 6.519 -7.712 -8.404 838 HZ3 LYS 101 2HZ LYS 101 6.627 -8.770 -7.092 839 H LEU 102 H LEU 102 4.479 -4.344 -8.448 840 HA LEU 102 HA LEU 102 2.465 -3.129 -6.666 841 HB2 LEU 102 2HB LEU 102 2.124 -5.180 -8.863 842 HB3 LEU 102 1HB LEU 102 0.826 -4.517 -7.887 843 HG LEU 102 HG LEU 102 2.543 -2.948 -9.824 844 HD11 LEU 102 1HD1 LEU 102 1.025 -4.458 -10.978 845 HD12 LEU 102 2HD1 LEU 102 0.491 -2.788 -11.160 846 HD13 LEU 102 3HD1 LEU 102 -0.331 -3.855 -10.023 847 HD21 LEU 102 3HD2 LEU 102 0.156 -2.098 -8.179 848 HD22 LEU 102 1HD2 LEU 102 0.965 -1.119 -9.404 849 HD23 LEU 102 2HD2 LEU 102 1.826 -1.581 -7.938 850 H LEU 103 H LEU 103 2.026 -4.106 -4.761 851 HA LEU 103 HA LEU 103 2.501 -7.022 -4.522 852 HB2 LEU 103 2HB LEU 103 2.812 -4.996 -2.297 853 HB3 LEU 103 1HB LEU 103 3.076 -6.724 -2.172 854 HG LEU 103 HG LEU 103 4.904 -6.300 -4.005 855 HD11 LEU 103 1HD1 LEU 103 4.636 -3.555 -2.774 856 HD12 LEU 103 2HD1 LEU 103 4.342 -3.982 -4.460 857 HD13 LEU 103 3HD1 LEU 103 5.971 -4.099 -3.794 858 HD21 LEU 103 3HD2 LEU 103 6.563 -5.911 -2.240 859 HD22 LEU 103 1HD2 LEU 103 5.365 -7.114 -1.761 860 HD23 LEU 103 2HD2 LEU 103 5.269 -5.471 -1.125 861 H GLU 104 H GLU 104 1.012 -8.217 -3.238 862 HA GLU 104 HA GLU 104 -1.514 -6.786 -2.653 863 HB2 GLU 104 2HB GLU 104 -1.671 -8.545 -4.413 864 HB3 GLU 104 1HB GLU 104 -1.153 -9.739 -3.228 865 HG2 GLU 104 2HG GLU 104 -3.148 -9.198 -1.864 866 HG3 GLU 104 1HG GLU 104 -3.677 -8.087 -3.126 867 H VAL 105 H VAL 105 -1.979 -6.550 -0.554 868 HA VAL 105 HA VAL 105 -0.981 -8.573 1.363 869 HB VAL 105 HB VAL 105 -0.661 -6.829 3.047 870 HG11 VAL 105 1HG1 VAL 105 0.792 -6.187 0.474 871 HG12 VAL 105 2HG1 VAL 105 1.239 -7.443 1.628 872 HG13 VAL 105 3HG1 VAL 105 1.318 -5.746 2.101 873 HG21 VAL 105 3HG2 VAL 105 -1.457 -4.914 0.849 874 HG22 VAL 105 1HG2 VAL 105 -0.758 -4.439 2.399 875 HG23 VAL 105 2HG2 VAL 105 -2.332 -5.229 2.347 876 H SER 106 H SER 106 -2.228 -8.868 3.281 877 HA SER 106 HA SER 106 -5.083 -8.127 2.997 878 HB2 SER 106 2HB SER 106 -3.991 -10.554 4.459 879 HB3 SER 106 1HB SER 106 -5.674 -10.214 4.053 880 HG SER 106 HG SER 106 -5.292 -11.285 2.295 881 H GLY 107 H GLY 107 -6.192 -7.377 4.834 882 HA2 GLY 107 2HA GLY 107 -5.767 -7.610 7.446 883 HA3 GLY 107 1HA GLY 107 -4.468 -6.502 7.040 884 H PHE 108 H PHE 108 -6.213 -5.185 4.978 885 HA PHE 108 HA PHE 108 -6.961 -2.955 6.413 886 HB2 PHE 108 2HB PHE 108 -8.262 -3.893 3.841 887 HB3 PHE 108 1HB PHE 108 -8.184 -2.237 4.434 888 HD1 PHE 108 HD2 PHE 108 -5.947 -1.101 4.581 889 HD2 PHE 108 HD1 PHE 108 -6.494 -4.818 2.574 890 HE1 PHE 108 HE2 PHE 108 -3.831 -0.759 3.384 891 HE2 PHE 108 HE1 PHE 108 -4.372 -4.482 1.376 892 HZ PHE 108 HZ PHE 108 -3.037 -2.451 1.779 893 H LYS 109 H LYS 109 -9.164 -5.515 5.259 894 HA LYS 109 HA LYS 109 -10.777 -5.406 7.614 895 HB2 LYS 109 2HB LYS 109 -11.478 -3.387 6.067 896 HB3 LYS 109 1HB LYS 109 -12.294 -4.627 5.128 897 HG2 LYS 109 2HG LYS 109 -13.817 -3.544 6.686 898 HG3 LYS 109 1HG LYS 109 -13.622 -5.252 7.083 899 HD2 LYS 109 2HD LYS 109 -11.959 -4.611 8.823 900 HD3 LYS 109 1HD LYS 109 -12.279 -2.913 8.459 901 HE2 LYS 109 2HE LYS 109 -14.633 -3.239 9.100 902 HE3 LYS 109 1HE LYS 109 -14.284 -4.923 9.493 903 HZ1 LYS 109 3HZ LYS 109 -14.221 -3.700 11.500 904 HZ2 LYS 109 1HZ LYS 109 -13.226 -2.500 10.843 905 HZ3 LYS 109 2HZ LYS 109 -12.615 -4.055 11.115 906 H SER 110 H SER 110 -12.919 -6.841 7.093 907 HA SER 110 HA SER 110 -12.463 -8.791 4.992 908 HB2 SER 110 2HB SER 110 -12.479 -10.732 6.565 909 HB3 SER 110 1HB SER 110 -11.046 -9.719 6.730 910 HG SER 110 HG SER 110 -11.619 -9.823 8.772 911 H ASN 111 H ASN 111 -14.390 -9.017 4.067 912 HA ASN 111 HA ASN 111 -16.687 -9.673 5.808 913 HB2 ASN 111 2HB ASN 111 -16.738 -7.945 3.317 914 HB3 ASN 111 1HB ASN 111 -18.183 -8.597 4.082 915 HD21 ASN 111 1HD2 ASN 111 -16.999 -8.199 6.790 916 HD22 ASN 111 2HD2 ASN 111 -17.154 -6.508 7.085 917 HA PRO 112 HA PRO 112 -15.585 -13.023 2.729 918 HB2 PRO 112 2HB PRO 112 -15.991 -15.117 4.448 919 HB3 PRO 112 1HB PRO 112 -14.463 -14.240 4.314 920 HG2 PRO 112 2HG PRO 112 -16.660 -13.923 6.331 921 HG3 PRO 112 1HG PRO 112 -14.903 -13.946 6.583 922 HD2 PRO 112 2HD PRO 112 -16.314 -11.645 6.527 923 HD3 PRO 112 1HD PRO 112 -14.650 -11.744 5.912 924 H TYR 113 H TYR 113 -18.265 -13.220 5.083 925 HA TYR 113 HA TYR 113 -20.048 -14.031 2.871 926 HB2 TYR 113 2HB TYR 113 -21.347 -15.301 4.690 927 HB3 TYR 113 1HB TYR 113 -19.839 -16.011 4.131 928 HD1 TYR 113 HD2 TYR 113 -21.282 -13.939 6.881 929 HD2 TYR 113 HD1 TYR 113 -18.148 -16.558 5.670 930 HE1 TYR 113 HE2 TYR 113 -20.466 -14.026 9.198 931 HE2 TYR 113 HE1 TYR 113 -17.329 -16.651 7.985 932 HH TYR 113 HH TYR 113 -19.134 -15.478 10.633 933 H LEU 114 H LEU 114 -19.424 -11.401 4.101 934 HA LEU 114 HA LEU 114 -22.029 -10.719 5.310 935 HB2 LEU 114 2HB LEU 114 -19.374 -9.298 5.549 936 HB3 LEU 114 1HB LEU 114 -20.869 -8.796 6.321 937 HG LEU 114 HG LEU 114 -19.463 -11.422 6.860 938 HD11 LEU 114 1HD1 LEU 114 -18.129 -9.540 7.659 939 HD12 LEU 114 2HD1 LEU 114 -18.815 -10.456 9.000 940 HD13 LEU 114 3HD1 LEU 114 -19.527 -8.911 8.531 941 HD21 LEU 114 3HD2 LEU 114 -21.815 -10.092 8.209 942 HD22 LEU 114 1HD2 LEU 114 -21.002 -11.551 8.778 943 HD23 LEU 114 2HD2 LEU 114 -21.853 -11.562 7.236 944 H GLU 115 H GLU 115 -19.755 -9.806 2.767 945 HA GLU 115 HA GLU 115 -20.871 -7.401 1.917 946 HB2 GLU 115 2HB GLU 115 -18.764 -8.254 1.023 947 HB3 GLU 115 1HB GLU 115 -19.600 -9.597 0.257 948 HG2 GLU 115 2HG GLU 115 -18.997 -7.857 -1.351 949 HG3 GLU 115 1HG GLU 115 -20.743 -8.071 -1.246 950 H HIS 116 H HIS 116 -21.542 -10.609 0.492 951 HA HIS 116 HA HIS 116 -24.354 -9.818 0.207 952 HB2 HIS 116 2HB HIS 116 -24.360 -11.163 -1.989 953 HB3 HIS 116 1HB HIS 116 -23.649 -9.557 -2.017 954 HD1 HIS 116 HD1 HIS 116 -21.255 -9.369 -2.766 955 HD2 HIS 116 HD2 HIS 116 -22.415 -13.305 -2.099 956 HE1 HIS 116 HE1 HIS 116 -19.366 -10.786 -3.629 957 HE2 HIS 116 HE2 HIS 116 -20.163 -13.159 -3.363 958 H HIS 117 H HIS 117 -24.874 -11.009 2.031 959 HA HIS 117 HA HIS 117 -24.058 -13.699 2.471 960 HB2 HIS 117 2HB HIS 117 -24.881 -12.009 4.204 961 HB3 HIS 117 1HB HIS 117 -26.511 -12.385 3.655 962 HD1 HIS 117 HD1 HIS 117 -23.519 -14.057 5.257 963 HD2 HIS 117 HD2 HIS 117 -27.605 -14.641 4.791 964 HE1 HIS 117 HE1 HIS 117 -24.094 -16.003 6.734 965 HE2 HIS 117 HE2 HIS 117 -26.559 -16.354 6.425 966 H HIS 118 H HIS 118 -26.816 -12.245 0.880 967 HA HIS 118 HA HIS 118 -27.392 -14.855 -0.357 968 HB2 HIS 118 2HB HIS 118 -29.467 -12.864 0.616 969 HB3 HIS 118 1HB HIS 118 -29.824 -14.241 -0.417 970 HD1 HIS 118 HD1 HIS 118 -30.189 -13.335 2.923 971 HD2 HIS 118 HD2 HIS 118 -28.705 -16.742 1.072 972 HE1 HIS 118 HE1 HIS 118 -30.355 -15.155 4.637 973 HE2 HIS 118 HE2 HIS 118 -29.622 -17.237 3.434 974 H HIS 119 H HIS 119 -27.689 -14.732 -2.595 975 HA HIS 119 HA HIS 119 -26.813 -12.385 -3.923 976 HB2 HIS 119 2HB HIS 119 -26.625 -14.714 -4.843 977 HB3 HIS 119 1HB HIS 119 -28.358 -14.676 -5.160 978 HD1 HIS 119 HD1 HIS 119 -28.984 -13.880 -7.435 979 HD2 HIS 119 HD2 HIS 119 -25.233 -12.500 -6.290 980 HE1 HIS 119 HE1 HIS 119 -28.084 -12.638 -9.424 981 HE2 HIS 119 HE2 HIS 119 -25.853 -11.739 -8.678 982 H HIS 120 H HIS 120 -30.018 -13.710 -3.302 983 HA HIS 120 HA HIS 120 -31.239 -11.221 -4.315 984 HB2 HIS 120 2HB HIS 120 -32.181 -13.235 -5.314 985 HB3 HIS 120 1HB HIS 120 -32.473 -13.928 -3.723 986 HD1 HIS 120 HD1 HIS 120 -34.352 -12.715 -2.261 987 HD2 HIS 120 HD2 HIS 120 -34.203 -11.631 -6.269 988 HE1 HIS 120 HE1 HIS 120 -36.544 -11.591 -2.736 989 HE2 HIS 120 HE2 HIS 120 -36.453 -10.988 -5.177 990 H HIS 121 H HIS 121 -31.657 -9.739 -2.788 991 HA HIS 121 HA HIS 121 -32.869 -10.497 -0.273 992 HB2 HIS 121 2HB HIS 121 -31.131 -9.357 1.119 993 HB3 HIS 121 1HB HIS 121 -30.571 -10.832 0.346 994 HD1 HIS 121 HD1 HIS 121 -29.414 -7.586 1.057 995 HD2 HIS 121 HD2 HIS 121 -29.203 -10.024 -2.297 996 HE1 HIS 121 HE1 HIS 121 -27.494 -6.706 -0.291 997 HE2 HIS 121 HE2 HIS 121 -27.410 -8.161 -2.337 Start of MODEL 5 1 H1 MET 1 1H MET 1 23.190 -10.933 3.759 2 H2 MET 1 2H MET 1 22.752 -11.792 5.145 3 H3 MET 1 3H MET 1 24.280 -12.013 4.469 4 HA MET 1 HA MET 1 23.275 -9.497 5.679 5 HB2 MET 1 2HB MET 1 25.303 -11.501 6.708 6 HB3 MET 1 1HB MET 1 24.962 -9.944 7.454 7 HG2 MET 1 2HG MET 1 23.837 -11.781 8.608 8 HG3 MET 1 1HG MET 1 22.685 -10.635 7.922 9 HE1 MET 1 3HE MET 1 20.855 -14.114 7.632 10 HE2 MET 1 1HE MET 1 20.736 -12.466 8.250 11 HE3 MET 1 2HE MET 1 21.927 -13.579 8.926 12 H LEU 2 H LEU 2 26.405 -11.099 4.938 13 HA LEU 2 HA LEU 2 27.496 -8.531 4.059 14 HB2 LEU 2 2HB LEU 2 28.809 -11.229 4.443 15 HB3 LEU 2 1HB LEU 2 29.652 -9.804 3.876 16 HG LEU 2 HG LEU 2 30.184 -10.033 6.172 17 HD11 LEU 2 1HD1 LEU 2 28.044 -7.920 5.927 18 HD12 LEU 2 2HD1 LEU 2 29.744 -7.743 5.492 19 HD13 LEU 2 3HD1 LEU 2 29.288 -7.993 7.177 20 HD21 LEU 2 3HD2 LEU 2 27.231 -10.242 6.763 21 HD22 LEU 2 1HD2 LEU 2 28.532 -10.232 7.954 22 HD23 LEU 2 2HD2 LEU 2 28.392 -11.568 6.812 23 H SER 3 H SER 3 25.927 -11.150 2.681 24 HA SER 3 HA SER 3 27.287 -11.159 0.133 25 HB2 SER 3 2HB SER 3 25.402 -12.663 -0.545 26 HB3 SER 3 1HB SER 3 26.251 -13.212 0.899 27 HG SER 3 HG SER 3 23.877 -13.229 0.985 28 H GLN 4 H GLN 4 26.636 -10.196 -1.774 29 HA GLN 4 HA GLN 4 24.203 -8.530 -1.693 30 HB2 GLN 4 2HB GLN 4 25.406 -6.784 -3.005 31 HB3 GLN 4 1HB GLN 4 26.018 -6.988 -1.370 32 HG2 GLN 4 2HG GLN 4 27.911 -8.258 -2.207 33 HG3 GLN 4 1HG GLN 4 27.282 -8.145 -3.850 34 HE21 GLN 4 1HE2 GLN 4 28.822 -6.425 -1.250 35 HE22 GLN 4 2HE2 GLN 4 29.281 -5.043 -2.179 36 H ALA 5 H ALA 5 22.977 -9.876 -2.930 37 HA ALA 5 HA ALA 5 23.789 -10.177 -5.748 38 HB1 ALA 5 3HB ALA 5 24.114 -12.324 -4.611 39 HB2 ALA 5 1HB ALA 5 22.821 -12.419 -5.809 40 HB3 ALA 5 2HB ALA 5 22.428 -12.309 -4.092 41 H ASN 6 H ASN 6 22.197 -9.859 -7.258 42 HA ASN 6 HA ASN 6 20.034 -8.226 -6.670 43 HB2 ASN 6 2HB ASN 6 20.551 -9.987 -9.069 44 HB3 ASN 6 1HB ASN 6 19.219 -8.836 -8.988 45 HD21 ASN 6 1HD2 ASN 6 22.690 -9.181 -9.061 46 HD22 ASN 6 2HD2 ASN 6 23.031 -7.552 -9.522 47 H GLU 7 H GLU 7 20.179 -11.731 -6.736 48 HA GLU 7 HA GLU 7 17.450 -12.337 -6.778 49 HB2 GLU 7 2HB GLU 7 18.025 -14.473 -5.804 50 HB3 GLU 7 1HB GLU 7 19.271 -14.021 -6.957 51 HG2 GLU 7 2HG GLU 7 20.755 -13.366 -5.162 52 HG3 GLU 7 1HG GLU 7 19.495 -13.680 -3.969 53 H ASP 8 H ASP 8 19.467 -11.181 -4.150 54 HA ASP 8 HA ASP 8 17.454 -11.582 -2.124 55 HB2 ASP 8 2HB ASP 8 19.964 -11.547 -1.721 56 HB3 ASP 8 1HB ASP 8 19.894 -9.801 -1.941 57 H PHE 9 H PHE 9 18.703 -8.819 -3.989 58 HA PHE 9 HA PHE 9 17.229 -6.778 -2.776 59 HB2 PHE 9 2HB PHE 9 18.275 -7.036 -5.600 60 HB3 PHE 9 1HB PHE 9 17.512 -5.569 -4.995 61 HD1 PHE 9 HD1 PHE 9 18.600 -4.210 -3.278 62 HD2 PHE 9 HD2 PHE 9 20.503 -7.658 -4.904 63 HE1 PHE 9 HE1 PHE 9 20.754 -3.451 -2.364 64 HE2 PHE 9 HE2 PHE 9 22.658 -6.904 -3.989 65 HZ PHE 9 HZ PHE 9 22.785 -4.797 -2.720 66 H LYS 10 H LYS 10 16.330 -8.770 -5.620 67 HA LYS 10 HA LYS 10 13.854 -7.576 -6.142 68 HB2 LYS 10 2HB LYS 10 13.251 -9.594 -7.331 69 HB3 LYS 10 1HB LYS 10 14.950 -9.242 -7.628 70 HG2 LYS 10 2HG LYS 10 15.617 -10.949 -6.049 71 HG3 LYS 10 1HG LYS 10 13.927 -11.267 -5.642 72 HD2 LYS 10 2HD LYS 10 13.520 -11.944 -7.987 73 HD3 LYS 10 1HD LYS 10 15.229 -11.677 -8.342 74 HE2 LYS 10 2HE LYS 10 15.848 -13.407 -6.742 75 HE3 LYS 10 1HE LYS 10 14.153 -13.654 -6.326 76 HZ1 LYS 10 3HZ LYS 10 14.899 -15.328 -7.874 77 HZ2 LYS 10 1HZ LYS 10 15.390 -14.148 -8.981 78 HZ3 LYS 10 2HZ LYS 10 13.750 -14.341 -8.623 79 H LYS 11 H LYS 11 14.722 -10.081 -3.800 80 HA LYS 11 HA LYS 11 12.112 -10.593 -2.829 81 HB2 LYS 11 2HB LYS 11 13.740 -12.181 -2.225 82 HB3 LYS 11 1HB LYS 11 14.867 -10.958 -1.666 83 HG2 LYS 11 2HG LYS 11 12.318 -11.084 -0.178 84 HG3 LYS 11 1HG LYS 11 13.343 -12.507 -0.031 85 HD2 LYS 11 2HD LYS 11 14.174 -9.655 0.555 86 HD3 LYS 11 1HD LYS 11 13.806 -10.894 1.756 87 HE2 LYS 11 2HE LYS 11 15.681 -12.244 0.948 88 HE3 LYS 11 1HE LYS 11 16.033 -11.034 -0.283 89 HZ1 LYS 11 3HZ LYS 11 17.513 -10.789 1.579 90 HZ2 LYS 11 1HZ LYS 11 16.216 -10.643 2.657 91 HZ3 LYS 11 2HZ LYS 11 16.498 -9.442 1.499 92 H ILE 12 H ILE 12 14.604 -8.253 -1.820 93 HA ILE 12 HA ILE 12 13.267 -7.158 0.387 94 HB ILE 12 HB ILE 12 15.114 -5.735 -1.554 95 HG12 ILE 12 2HG1 ILE 12 15.709 -7.114 1.086 96 HG13 ILE 12 1HG1 ILE 12 16.103 -7.752 -0.506 97 HG21 ILE 12 1HG2 ILE 12 15.523 -4.151 0.280 98 HG22 ILE 12 2HG2 ILE 12 14.318 -4.980 1.267 99 HG23 ILE 12 3HG2 ILE 12 13.829 -4.146 -0.207 100 HD11 ILE 12 3HD1 ILE 12 17.614 -5.865 -0.883 101 HD12 ILE 12 1HD1 ILE 12 18.051 -6.788 0.555 102 HD13 ILE 12 2HD1 ILE 12 17.224 -5.240 0.721 103 H VAL 13 H VAL 13 13.089 -6.255 -3.051 104 HA VAL 13 HA VAL 13 11.292 -4.101 -2.766 105 HB VAL 13 HB VAL 13 11.579 -5.937 -5.161 106 HG11 VAL 13 1HG1 VAL 13 10.536 -3.104 -4.956 107 HG12 VAL 13 2HG1 VAL 13 9.571 -4.549 -5.265 108 HG13 VAL 13 3HG1 VAL 13 10.762 -4.015 -6.450 109 HG21 VAL 13 3HG2 VAL 13 13.188 -4.277 -6.003 110 HG22 VAL 13 1HG2 VAL 13 13.738 -5.015 -4.497 111 HG23 VAL 13 2HG2 VAL 13 13.060 -3.388 -4.483 112 H ASN 14 H ASN 14 10.659 -7.570 -3.374 113 HA ASN 14 HA ASN 14 7.792 -7.173 -3.227 114 HB2 ASN 14 2HB ASN 14 9.503 -9.644 -3.485 115 HB3 ASN 14 1HB ASN 14 7.754 -9.728 -3.282 116 HD21 ASN 14 1HD2 ASN 14 10.346 -8.895 -5.424 117 HD22 ASN 14 2HD2 ASN 14 9.370 -8.684 -6.832 118 H ASN 15 H ASN 15 10.221 -7.466 -0.914 119 HA ASN 15 HA ASN 15 8.702 -8.851 1.115 120 HB2 ASN 15 2HB ASN 15 11.264 -8.701 0.944 121 HB3 ASN 15 1HB ASN 15 11.107 -7.072 1.589 122 HD21 ASN 15 1HD2 ASN 15 9.341 -10.022 2.409 123 HD22 ASN 15 2HD2 ASN 15 9.825 -10.050 4.067 124 H ILE 16 H ILE 16 8.855 -5.683 -0.118 125 HA ILE 16 HA ILE 16 8.403 -3.983 1.979 126 HB ILE 16 HB ILE 16 7.138 -3.866 -0.769 127 HG12 ILE 16 2HG1 ILE 16 9.632 -2.535 0.338 128 HG13 ILE 16 1HG1 ILE 16 9.615 -3.911 -0.762 129 HG21 ILE 16 1HG2 ILE 16 6.841 -1.464 -0.354 130 HG22 ILE 16 2HG2 ILE 16 7.424 -1.673 1.297 131 HG23 ILE 16 3HG2 ILE 16 5.917 -2.436 0.790 132 HD11 ILE 16 3HD1 ILE 16 8.528 -2.519 -2.463 133 HD12 ILE 16 1HD1 ILE 16 10.089 -1.870 -1.958 134 HD13 ILE 16 2HD1 ILE 16 8.598 -1.142 -1.362 135 H ARG 17 H ARG 17 7.035 -4.198 3.589 136 HA ARG 17 HA ARG 17 4.208 -4.824 3.028 137 HB2 ARG 17 2HB ARG 17 5.898 -6.440 4.459 138 HB3 ARG 17 1HB ARG 17 5.223 -5.448 5.742 139 HG2 ARG 17 2HG ARG 17 3.914 -7.438 5.543 140 HG3 ARG 17 1HG ARG 17 2.946 -6.081 4.960 141 HD2 ARG 17 2HD ARG 17 3.301 -6.694 2.687 142 HD3 ARG 17 1HD ARG 17 4.553 -7.855 3.126 143 HE ARG 17 HE ARG 17 1.859 -8.337 4.136 144 HH11 ARG 17 1HH1 ARG 17 4.288 -9.098 1.811 145 HH12 ARG 17 2HH1 ARG 17 3.614 -10.654 1.462 146 HH21 ARG 17 1HH2 ARG 17 0.988 -10.308 3.657 147 HH22 ARG 17 2HH2 ARG 17 1.749 -11.324 2.484 148 H LEU 18 H LEU 18 2.708 -3.485 3.967 149 HA LEU 18 HA LEU 18 3.593 -0.954 4.941 150 HB2 LEU 18 2HB LEU 18 1.058 -0.614 5.275 151 HB3 LEU 18 1HB LEU 18 1.692 -0.800 3.653 152 HG LEU 18 HG LEU 18 0.967 -3.188 3.684 153 HD11 LEU 18 1HD1 LEU 18 -0.384 -2.437 6.277 154 HD12 LEU 18 2HD1 LEU 18 0.933 -3.595 6.083 155 HD13 LEU 18 3HD1 LEU 18 -0.646 -3.928 5.373 156 HD21 LEU 18 3HD2 LEU 18 -0.402 -1.488 2.625 157 HD22 LEU 18 1HD2 LEU 18 -1.189 -1.130 4.162 158 HD23 LEU 18 2HD2 LEU 18 -1.423 -2.700 3.395 159 H LYS 19 H LYS 19 4.264 -3.252 6.667 160 HA LYS 19 HA LYS 19 3.440 -2.086 9.198 161 HB2 LYS 19 2HB LYS 19 1.764 -3.845 8.780 162 HB3 LYS 19 1HB LYS 19 3.050 -5.024 8.559 163 HG2 LYS 19 2HG LYS 19 3.726 -4.749 10.888 164 HG3 LYS 19 1HG LYS 19 2.467 -3.536 11.119 165 HD2 LYS 19 2HD LYS 19 1.988 -6.423 10.356 166 HD3 LYS 19 1HD LYS 19 1.814 -5.757 11.981 167 HE2 LYS 19 2HE LYS 19 0.238 -4.894 9.550 168 HE3 LYS 19 1HE LYS 19 -0.348 -5.963 10.825 169 HZ1 LYS 19 3HZ LYS 19 0.450 -3.120 11.154 170 HZ2 LYS 19 1HZ LYS 19 -0.039 -4.143 12.409 171 HZ3 LYS 19 2HZ LYS 19 -1.127 -3.730 11.185 172 H ASP 20 H ASP 20 5.328 -4.629 7.581 173 HA ASP 20 HA ASP 20 7.352 -4.593 9.677 174 HB2 ASP 20 2HB ASP 20 6.608 -6.739 8.725 175 HB3 ASP 20 1HB ASP 20 7.157 -6.232 7.133 176 H THR 21 H THR 21 6.867 -3.132 6.570 177 HA THR 21 HA THR 21 9.754 -2.580 6.291 178 HB THR 21 HB THR 21 7.588 -2.297 4.200 179 HG1 THR 21 HG1 THR 21 8.836 -4.460 5.089 180 HG21 THR 21 3HG2 THR 21 9.446 -0.740 3.822 181 HG22 THR 21 1HG2 THR 21 9.450 -2.028 2.616 182 HG23 THR 21 2HG2 THR 21 10.597 -2.070 3.955 183 H PHE 22 H PHE 22 6.593 -0.943 6.199 184 HA PHE 22 HA PHE 22 7.823 1.491 7.176 185 HB2 PHE 22 2HB PHE 22 7.079 2.932 5.365 186 HB3 PHE 22 1HB PHE 22 8.127 1.675 4.718 187 HD1 PHE 22 HD1 PHE 22 6.967 -0.387 3.669 188 HD2 PHE 22 HD2 PHE 22 4.983 3.306 4.426 189 HE1 PHE 22 HE1 PHE 22 5.233 -0.984 2.031 190 HE2 PHE 22 HE2 PHE 22 3.246 2.709 2.790 191 HZ PHE 22 HZ PHE 22 3.370 0.562 1.590 192 H ASP 23 H ASP 23 6.466 2.640 8.431 193 HA ASP 23 HA ASP 23 3.720 1.699 8.734 194 HB2 ASP 23 2HB ASP 23 5.181 3.824 10.328 195 HB3 ASP 23 1HB ASP 23 3.685 3.008 10.774 196 H PHE 24 H PHE 24 2.522 2.535 7.025 197 HA PHE 24 HA PHE 24 2.867 5.335 6.301 198 HB2 PHE 24 2HB PHE 24 1.654 4.899 4.336 199 HB3 PHE 24 1HB PHE 24 2.605 3.446 4.598 200 HD1 PHE 24 HD1 PHE 24 1.319 1.577 6.030 201 HD2 PHE 24 HD2 PHE 24 -0.542 4.649 3.735 202 HE1 PHE 24 HE1 PHE 24 -0.731 0.225 5.872 203 HE2 PHE 24 HE2 PHE 24 -2.590 3.299 3.577 204 HZ PHE 24 HZ PHE 24 -2.684 1.083 4.649 205 H LYS 25 H LYS 25 1.080 6.810 6.100 206 HA LYS 25 HA LYS 25 -1.229 6.261 7.830 207 HB2 LYS 25 2HB LYS 25 0.512 7.282 9.244 208 HB3 LYS 25 1HB LYS 25 0.606 8.651 8.147 209 HG2 LYS 25 2HG LYS 25 -1.690 9.264 8.688 210 HG3 LYS 25 1HG LYS 25 -1.824 7.866 9.755 211 HD2 LYS 25 2HD LYS 25 0.228 10.050 10.132 212 HD3 LYS 25 1HD LYS 25 -1.361 10.078 10.893 213 HE2 LYS 25 2HE LYS 25 0.291 9.216 12.451 214 HE3 LYS 25 1HE LYS 25 -0.847 7.945 12.016 215 HZ1 LYS 25 3HZ LYS 25 0.752 6.931 10.628 216 HZ2 LYS 25 1HZ LYS 25 1.546 7.278 12.074 217 HZ3 LYS 25 2HZ LYS 25 1.805 8.250 10.717 218 H LEU 26 H LEU 26 -3.090 7.149 7.095 219 HA LEU 26 HA LEU 26 -2.979 8.809 4.691 220 HB2 LEU 26 2HB LEU 26 -5.348 7.540 6.086 221 HB3 LEU 26 1HB LEU 26 -5.415 8.414 4.569 222 HG LEU 26 HG LEU 26 -5.502 6.124 4.007 223 HD11 LEU 26 1HD1 LEU 26 -3.466 5.740 2.711 224 HD12 LEU 26 2HD1 LEU 26 -2.654 7.031 3.596 225 HD13 LEU 26 3HD1 LEU 26 -4.034 7.402 2.561 226 HD21 LEU 26 3HD2 LEU 26 -4.777 5.164 6.112 227 HD22 LEU 26 1HD2 LEU 26 -3.115 5.670 5.801 228 HD23 LEU 26 2HD2 LEU 26 -3.876 4.455 4.773 229 H ALA 27 H ALA 27 -3.354 10.961 4.707 230 HA ALA 27 HA ALA 27 -3.509 12.480 7.030 231 HB1 ALA 27 3HB ALA 27 -4.013 14.387 5.612 232 HB2 ALA 27 1HB ALA 27 -4.462 13.310 4.288 233 HB3 ALA 27 2HB ALA 27 -2.791 13.366 4.852 234 H ALA 28 H ALA 28 -6.110 11.030 5.200 235 HA ALA 28 HA ALA 28 -8.213 12.540 6.469 236 HB1 ALA 28 3HB ALA 28 -8.385 10.009 4.834 237 HB2 ALA 28 1HB ALA 28 -8.473 11.651 4.200 238 HB3 ALA 28 2HB ALA 28 -9.733 11.054 5.280 239 H PHE 29 H PHE 29 -6.354 9.816 7.368 240 HA PHE 29 HA PHE 29 -8.076 9.374 9.704 241 HB2 PHE 29 2HB PHE 29 -6.910 7.101 8.066 242 HB3 PHE 29 1HB PHE 29 -7.858 6.939 9.539 243 HD1 PHE 29 HD1 PHE 29 -10.282 7.668 9.505 244 HD2 PHE 29 HD2 PHE 29 -7.958 7.238 5.959 245 HE1 PHE 29 HE1 PHE 29 -12.344 7.550 8.169 246 HE2 PHE 29 HE2 PHE 29 -10.020 7.117 4.620 247 HZ PHE 29 HZ PHE 29 -12.214 7.276 5.724 248 HA PRO 30 HA PRO 30 -3.519 9.744 10.640 249 HB2 PRO 30 2HB PRO 30 -3.589 11.857 12.299 250 HB3 PRO 30 1HB PRO 30 -3.650 12.047 10.541 251 HG2 PRO 30 2HG PRO 30 -5.890 12.132 12.536 252 HG3 PRO 30 1HG PRO 30 -5.596 13.184 11.138 253 HD2 PRO 30 2HD PRO 30 -7.360 11.075 11.130 254 HD3 PRO 30 1HD PRO 30 -6.572 11.714 9.674 255 H ASN 31 H ASN 31 -6.314 9.367 12.691 256 HA ASN 31 HA ASN 31 -4.617 8.667 14.997 257 HB2 ASN 31 2HB ASN 31 -7.596 9.202 14.884 258 HB3 ASN 31 1HB ASN 31 -6.689 8.808 16.342 259 HD21 ASN 31 1HD2 ASN 31 -7.345 11.232 13.956 260 HD22 ASN 31 2HD2 ASN 31 -6.585 12.540 14.788 261 H GLN 32 H GLN 32 -6.723 7.263 12.637 262 HA GLN 32 HA GLN 32 -6.994 4.759 14.131 263 HB2 GLN 32 2HB GLN 32 -8.156 5.705 11.508 264 HB3 GLN 32 1HB GLN 32 -8.372 4.070 12.116 265 HG2 GLN 32 2HG GLN 32 -9.202 6.538 13.631 266 HG3 GLN 32 1HG GLN 32 -10.275 5.627 12.570 267 HE21 GLN 32 1HE2 GLN 32 -8.540 5.602 15.591 268 HE22 GLN 32 2HE2 GLN 32 -9.359 4.240 16.268 269 H ASN 33 H ASN 33 -6.836 2.735 12.528 270 HA ASN 33 HA ASN 33 -4.183 2.881 11.225 271 HB2 ASN 33 2HB ASN 33 -5.268 0.590 12.888 272 HB3 ASN 33 1HB ASN 33 -3.699 0.631 12.084 273 HD21 ASN 33 1HD2 ASN 33 -5.589 1.813 14.737 274 HD22 ASN 33 2HD2 ASN 33 -4.281 2.531 15.606 275 H TYR 34 H TYR 34 -3.786 1.450 9.498 276 HA TYR 34 HA TYR 34 -5.855 0.930 7.687 277 HB2 TYR 34 2HB TYR 34 -4.140 -0.532 6.530 278 HB3 TYR 34 1HB TYR 34 -3.622 1.118 6.862 279 HD1 TYR 34 HD2 TYR 34 -1.912 1.576 8.555 280 HD2 TYR 34 HD1 TYR 34 -3.113 -2.421 7.694 281 HE1 TYR 34 HE2 TYR 34 0.064 0.730 9.747 282 HE2 TYR 34 HE1 TYR 34 -1.137 -3.273 8.884 283 HH TYR 34 HH TYR 34 0.990 -1.127 10.685 284 H ASP 35 H ASP 35 -4.708 -0.944 10.365 285 HA ASP 35 HA ASP 35 -5.762 -3.478 9.636 286 HB2 ASP 35 2HB ASP 35 -5.415 -2.437 12.453 287 HB3 ASP 35 1HB ASP 35 -5.326 -4.106 11.903 288 H GLN 36 H GLN 36 -7.436 -0.705 10.051 289 HA GLN 36 HA GLN 36 -9.811 -2.019 11.221 290 HB2 GLN 36 2HB GLN 36 -9.025 0.891 11.497 291 HB3 GLN 36 1HB GLN 36 -10.423 0.116 12.230 292 HG2 GLN 36 2HG GLN 36 -9.031 -1.180 13.680 293 HG3 GLN 36 1HG GLN 36 -7.574 -0.653 12.838 294 HE21 GLN 36 1HE2 GLN 36 -10.071 0.260 15.069 295 HE22 GLN 36 2HE2 GLN 36 -9.301 1.689 15.653 296 H LEU 37 H LEU 37 -8.674 0.539 9.020 297 HA LEU 37 HA LEU 37 -11.284 1.253 8.110 298 HB2 LEU 37 2HB LEU 37 -8.506 1.972 7.237 299 HB3 LEU 37 1HB LEU 37 -9.888 2.457 6.275 300 HG LEU 37 HG LEU 37 -9.195 4.280 7.715 301 HD11 LEU 37 1HD1 LEU 37 -11.578 4.066 7.234 302 HD12 LEU 37 2HD1 LEU 37 -11.313 4.749 8.837 303 HD13 LEU 37 3HD1 LEU 37 -11.789 3.059 8.667 304 HD21 LEU 37 3HD2 LEU 37 -8.130 2.976 9.496 305 HD22 LEU 37 1HD2 LEU 37 -9.711 2.411 10.035 306 HD23 LEU 37 2HD2 LEU 37 -9.299 4.122 10.150 307 H LEU 38 H LEU 38 -11.882 1.329 5.806 308 HA LEU 38 HA LEU 38 -11.597 -1.306 4.578 309 HB2 LEU 38 2HB LEU 38 -13.389 1.023 3.822 310 HB3 LEU 38 1HB LEU 38 -13.435 -0.572 3.099 311 HG LEU 38 HG LEU 38 -15.278 -0.418 4.592 312 HD11 LEU 38 1HD1 LEU 38 -14.856 -2.223 6.165 313 HD12 LEU 38 2HD1 LEU 38 -13.116 -2.020 5.954 314 HD13 LEU 38 3HD1 LEU 38 -14.112 -2.563 4.603 315 HD21 LEU 38 3HD2 LEU 38 -15.094 0.142 6.955 316 HD22 LEU 38 1HD2 LEU 38 -14.503 1.468 5.955 317 HD23 LEU 38 2HD2 LEU 38 -13.359 0.406 6.776 318 HA PRO 39 HA PRO 39 -8.718 -0.037 1.390 319 HB2 PRO 39 2HB PRO 39 -9.812 -1.468 -0.737 320 HB3 PRO 39 1HB PRO 39 -8.674 -2.119 0.449 321 HG2 PRO 39 2HG PRO 39 -11.661 -2.333 0.368 322 HG3 PRO 39 1HG PRO 39 -10.461 -3.567 0.795 323 HD2 PRO 39 2HD PRO 39 -11.854 -2.297 2.685 324 HD3 PRO 39 1HD PRO 39 -10.137 -2.685 2.935 325 H SER 40 H SER 40 -12.192 0.099 0.770 326 HA SER 40 HA SER 40 -12.248 1.726 -1.494 327 HB2 SER 40 2HB SER 40 -14.236 1.820 0.791 328 HB3 SER 40 1HB SER 40 -14.537 2.234 -0.897 329 HG SER 40 HG SER 40 -14.448 0.118 -1.444 330 H GLN 41 H GLN 41 -12.080 2.647 1.931 331 HA GLN 41 HA GLN 41 -12.299 5.455 1.435 332 HB2 GLN 41 2HB GLN 41 -11.307 3.976 3.883 333 HB3 GLN 41 1HB GLN 41 -11.657 5.700 3.816 334 HG2 GLN 41 2HG GLN 41 -13.638 3.455 3.445 335 HG3 GLN 41 1HG GLN 41 -13.479 4.493 4.861 336 HE21 GLN 41 1HE2 GLN 41 -15.786 4.066 3.133 337 HE22 GLN 41 2HE2 GLN 41 -16.222 5.625 2.530 338 H ILE 42 H ILE 42 -9.564 3.328 2.257 339 HA ILE 42 HA ILE 42 -7.532 5.234 2.333 340 HB ILE 42 HB ILE 42 -7.291 2.365 1.385 341 HG12 ILE 42 2HG1 ILE 42 -7.021 3.528 4.179 342 HG13 ILE 42 1HG1 ILE 42 -8.377 2.562 3.605 343 HG21 ILE 42 1HG2 ILE 42 -5.309 3.665 0.839 344 HG22 ILE 42 2HG2 ILE 42 -4.950 2.551 2.160 345 HG23 ILE 42 3HG2 ILE 42 -5.216 4.262 2.496 346 HD11 ILE 42 3HD1 ILE 42 -6.835 1.258 4.968 347 HD12 ILE 42 1HD1 ILE 42 -5.528 1.612 3.839 348 HD13 ILE 42 2HD1 ILE 42 -6.909 0.647 3.315 349 H TYR 43 H TYR 43 -8.882 3.485 -0.423 350 HA TYR 43 HA TYR 43 -7.165 4.277 -2.461 351 HB2 TYR 43 2HB TYR 43 -8.837 2.629 -2.906 352 HB3 TYR 43 1HB TYR 43 -10.138 3.718 -2.445 353 HD1 TYR 43 HD1 TYR 43 -7.595 3.036 -5.063 354 HD2 TYR 43 HD2 TYR 43 -11.137 5.172 -4.045 355 HE1 TYR 43 HE1 TYR 43 -7.882 3.674 -7.418 356 HE2 TYR 43 HE2 TYR 43 -11.428 5.815 -6.398 357 HH TYR 43 HH TYR 43 -9.953 6.108 -8.418 358 H LYS 44 H LYS 44 -9.629 6.132 -0.813 359 HA LYS 44 HA LYS 44 -9.707 8.209 -2.857 360 HB2 LYS 44 2HB LYS 44 -11.146 7.982 -0.204 361 HB3 LYS 44 1HB LYS 44 -11.454 9.206 -1.432 362 HG2 LYS 44 2HG LYS 44 -12.239 7.526 -2.979 363 HG3 LYS 44 1HG LYS 44 -11.799 6.237 -1.861 364 HD2 LYS 44 2HD LYS 44 -14.154 6.533 -1.666 365 HD3 LYS 44 1HD LYS 44 -13.438 7.238 -0.219 366 HE2 LYS 44 2HE LYS 44 -14.355 8.777 -2.657 367 HE3 LYS 44 1HE LYS 44 -15.244 8.635 -1.144 368 HZ1 LYS 44 3HZ LYS 44 -13.253 9.683 -0.059 369 HZ2 LYS 44 1HZ LYS 44 -14.135 10.691 -1.094 370 HZ3 LYS 44 2HZ LYS 44 -12.676 10.027 -1.615 371 H ASN 45 H ASN 45 -7.707 7.578 -0.249 372 HA ASN 45 HA ASN 45 -7.546 10.311 0.747 373 HB2 ASN 45 2HB ASN 45 -5.956 7.862 1.541 374 HB3 ASN 45 1HB ASN 45 -5.950 9.411 2.378 375 HD21 ASN 45 1HD2 ASN 45 -8.861 9.766 1.948 376 HD22 ASN 45 2HD2 ASN 45 -9.615 8.697 3.066 377 H TYR 46 H TYR 46 -6.229 8.834 -1.892 378 HA TYR 46 HA TYR 46 -3.509 9.212 -1.866 379 HB2 TYR 46 2HB TYR 46 -3.616 9.412 -4.325 380 HB3 TYR 46 1HB TYR 46 -4.639 8.116 -3.722 381 HD1 TYR 46 HD2 TYR 46 -7.139 8.498 -3.604 382 HD2 TYR 46 HD1 TYR 46 -4.530 11.188 -5.623 383 HE1 TYR 46 HE2 TYR 46 -9.058 9.433 -4.817 384 HE2 TYR 46 HE1 TYR 46 -6.445 12.131 -6.844 385 HH TYR 46 HH TYR 46 -9.753 11.212 -6.077 386 H TYR 47 H TYR 47 -5.889 11.695 -2.879 387 HA TYR 47 HA TYR 47 -3.839 13.648 -3.359 388 HB2 TYR 47 2HB TYR 47 -5.866 13.708 -4.686 389 HB3 TYR 47 1HB TYR 47 -6.852 13.907 -3.241 390 HD1 TYR 47 HD1 TYR 47 -3.951 15.598 -4.919 391 HD2 TYR 47 HD2 TYR 47 -7.615 16.048 -2.794 392 HE1 TYR 47 HE1 TYR 47 -3.776 18.040 -5.145 393 HE2 TYR 47 HE2 TYR 47 -7.451 18.490 -3.016 394 HH TYR 47 HH TYR 47 -5.174 20.000 -5.099 395 H GLN 48 H GLN 48 -5.790 12.792 -0.612 396 HA GLN 48 HA GLN 48 -5.665 15.277 0.765 397 HB2 GLN 48 2HB GLN 48 -6.103 12.477 1.831 398 HB3 GLN 48 1HB GLN 48 -6.349 13.953 2.756 399 HG2 GLN 48 2HG GLN 48 -7.859 13.122 0.282 400 HG3 GLN 48 1HG GLN 48 -8.463 13.106 1.939 401 HE21 GLN 48 1HE2 GLN 48 -9.447 14.536 -0.434 402 HE22 GLN 48 2HE2 GLN 48 -9.469 16.205 0.008 403 H GLY 49 H GLY 49 -3.519 12.497 0.636 404 HA2 GLY 49 2HA GLY 49 -1.129 13.362 0.973 405 HA3 GLY 49 1HA GLY 49 -1.712 13.827 2.561 406 H ILE 50 H ILE 50 -0.206 11.407 0.780 407 HA ILE 50 HA ILE 50 -0.787 9.337 2.801 408 HB ILE 50 HB ILE 50 0.797 9.103 0.229 409 HG12 ILE 50 2HG1 ILE 50 -2.027 8.171 0.839 410 HG13 ILE 50 1HG1 ILE 50 -1.621 9.577 -0.140 411 HG21 ILE 50 1HG2 ILE 50 -0.188 6.977 2.140 412 HG22 ILE 50 2HG2 ILE 50 1.489 7.463 1.891 413 HG23 ILE 50 3HG2 ILE 50 0.598 6.674 0.589 414 HD11 ILE 50 3HD1 ILE 50 -2.194 7.675 -1.531 415 HD12 ILE 50 1HD1 ILE 50 -0.925 6.715 -0.773 416 HD13 ILE 50 2HD1 ILE 50 -0.502 8.119 -1.754 417 H GLU 51 H GLU 51 0.567 9.132 4.469 418 HA GLU 51 HA GLU 51 3.242 10.323 4.329 419 HB2 GLU 51 2HB GLU 51 1.600 9.378 6.692 420 HB3 GLU 51 1HB GLU 51 3.212 10.076 6.813 421 HG2 GLU 51 2HG GLU 51 0.761 11.462 5.724 422 HG3 GLU 51 1HG GLU 51 1.482 11.721 7.314 423 H ILE 52 H ILE 52 5.075 9.149 4.376 424 HA ILE 52 HA ILE 52 4.816 6.218 4.700 425 HB ILE 52 HB ILE 52 6.752 7.726 2.925 426 HG12 ILE 52 2HG1 ILE 52 4.478 7.765 2.027 427 HG13 ILE 52 1HG1 ILE 52 5.494 6.709 1.056 428 HG21 ILE 52 1HG2 ILE 52 7.414 5.518 2.082 429 HG22 ILE 52 2HG2 ILE 52 6.356 4.748 3.266 430 HG23 ILE 52 3HG2 ILE 52 7.754 5.680 3.805 431 HD11 ILE 52 3HD1 ILE 52 3.284 5.761 1.401 432 HD12 ILE 52 1HD1 ILE 52 3.521 5.812 3.147 433 HD13 ILE 52 2HD1 ILE 52 4.527 4.759 2.149 434 H GLN 53 H GLN 53 5.433 6.024 6.840 435 HA GLN 53 HA GLN 53 7.960 7.141 7.747 436 HB2 GLN 53 2HB GLN 53 6.083 7.008 9.313 437 HB3 GLN 53 1HB GLN 53 6.001 5.267 9.102 438 HG2 GLN 53 2HG GLN 53 7.062 5.733 11.188 439 HG3 GLN 53 1HG GLN 53 8.270 5.081 10.085 440 HE21 GLN 53 1HE2 GLN 53 9.968 6.379 9.441 441 HE22 GLN 53 2HE2 GLN 53 10.277 7.932 10.131 442 H GLN 54 H GLN 54 9.522 6.143 6.433 443 HA GLN 54 HA GLN 54 9.614 3.401 5.867 444 HB2 GLN 54 2HB GLN 54 12.162 3.913 5.506 445 HB3 GLN 54 1HB GLN 54 10.946 4.553 4.419 446 HG2 GLN 54 2HG GLN 54 12.587 6.244 4.870 447 HG3 GLN 54 1HG GLN 54 11.059 6.720 5.599 448 HE21 GLN 54 1HE2 GLN 54 10.944 6.970 7.790 449 HE22 GLN 54 2HE2 GLN 54 12.309 6.851 8.841 450 H HIS 55 H HIS 55 10.452 1.641 6.834 451 HA HIS 55 HA HIS 55 11.645 1.966 9.522 452 HB2 HIS 55 2HB HIS 55 9.109 1.331 9.327 453 HB3 HIS 55 1HB HIS 55 9.708 -0.255 8.871 454 HD1 HIS 55 HD1 HIS 55 8.131 0.777 11.557 455 HD2 HIS 55 HD2 HIS 55 12.077 -0.480 11.210 456 HE1 HIS 55 HE1 HIS 55 8.806 0.037 13.856 457 HE2 HIS 55 HE2 HIS 55 11.244 -0.536 13.658 458 H LYS 56 H LYS 56 12.551 1.145 6.638 459 HA LYS 56 HA LYS 56 14.215 -1.101 7.532 460 HB2 LYS 56 2HB LYS 56 12.431 -1.108 5.116 461 HB3 LYS 56 1HB LYS 56 13.920 -2.039 5.114 462 HG2 LYS 56 2HG LYS 56 13.035 -3.088 7.283 463 HG3 LYS 56 1HG LYS 56 11.475 -2.406 6.805 464 HD2 LYS 56 2HD LYS 56 11.735 -3.569 4.598 465 HD3 LYS 56 1HD LYS 56 13.177 -4.358 5.243 466 HE2 LYS 56 2HE LYS 56 10.341 -4.621 6.244 467 HE3 LYS 56 1HE LYS 56 11.297 -5.852 5.426 468 HZ1 LYS 56 3HZ LYS 56 11.726 -4.751 8.142 469 HZ2 LYS 56 1HZ LYS 56 12.846 -5.745 7.353 470 HZ3 LYS 56 2HZ LYS 56 11.304 -6.330 7.722 471 H TYR 57 H TYR 57 15.636 -1.673 5.392 472 HA TYR 57 HA TYR 57 17.554 0.304 5.068 473 HB2 TYR 57 2HB TYR 57 16.871 -2.136 3.422 474 HB3 TYR 57 1HB TYR 57 18.280 -1.132 3.080 475 HD1 TYR 57 HD2 TYR 57 16.702 -2.945 5.956 476 HD2 TYR 57 HD1 TYR 57 20.309 -1.770 4.021 477 HE1 TYR 57 HE2 TYR 57 17.995 -4.240 7.595 478 HE2 TYR 57 HE1 TYR 57 21.612 -3.062 5.659 479 HH TYR 57 HH TYR 57 21.364 -3.955 7.945 480 H GLN 58 H GLN 58 16.909 2.296 4.335 481 HA GLN 58 HA GLN 58 15.710 2.413 1.632 482 HB2 GLN 58 2HB GLN 58 15.283 4.207 4.023 483 HB3 GLN 58 1HB GLN 58 14.832 4.693 2.392 484 HG2 GLN 58 2HG GLN 58 13.809 2.210 3.764 485 HG3 GLN 58 1HG GLN 58 12.968 3.758 3.755 486 HE21 GLN 58 1HE2 GLN 58 13.959 1.028 1.818 487 HE22 GLN 58 2HE2 GLN 58 12.926 1.370 0.480 488 H ASN 59 H ASN 59 18.580 2.575 2.858 489 HA ASN 59 HA ASN 59 19.570 5.086 1.874 490 HB2 ASN 59 2HB ASN 59 20.714 3.819 3.672 491 HB3 ASN 59 1HB ASN 59 21.060 2.524 2.532 492 HD21 ASN 59 1HD2 ASN 59 21.217 5.947 1.776 493 HD22 ASN 59 2HD2 ASN 59 22.925 5.995 1.544 494 H GLU 60 H GLU 60 19.271 1.816 0.622 495 HA GLU 60 HA GLU 60 20.695 2.346 -1.830 496 HB2 GLU 60 2HB GLU 60 20.511 0.093 -0.642 497 HB3 GLU 60 1HB GLU 60 18.860 0.013 -1.235 498 HG2 GLU 60 2HG GLU 60 19.973 -1.211 -2.823 499 HG3 GLU 60 1HG GLU 60 19.964 0.384 -3.569 500 H LEU 61 H LEU 61 17.290 2.029 -0.867 501 HA LEU 61 HA LEU 61 16.443 3.138 -3.455 502 HB2 LEU 61 2HB LEU 61 14.648 1.516 -3.671 503 HB3 LEU 61 1HB LEU 61 16.205 0.714 -3.637 504 HG LEU 61 HG LEU 61 14.464 0.903 -1.173 505 HD11 LEU 61 1HD1 LEU 61 13.650 -1.346 -1.688 506 HD12 LEU 61 2HD1 LEU 61 14.484 -1.296 -3.241 507 HD13 LEU 61 3HD1 LEU 61 13.152 -0.185 -2.919 508 HD21 LEU 61 3HD2 LEU 61 16.689 -0.980 -1.972 509 HD22 LEU 61 1HD2 LEU 61 15.756 -1.068 -0.478 510 HD23 LEU 61 2HD2 LEU 61 16.801 0.317 -0.783 511 H ASP 62 H ASP 62 14.421 4.200 -3.457 512 HA ASP 62 HA ASP 62 13.430 4.994 -0.793 513 HB2 ASP 62 2HB ASP 62 14.288 6.850 -2.096 514 HB3 ASP 62 1HB ASP 62 13.295 6.394 -3.476 515 H ILE 63 H ILE 63 11.348 4.621 -0.216 516 HA ILE 63 HA ILE 63 9.561 3.333 -2.187 517 HB ILE 63 HB ILE 63 9.635 3.131 0.830 518 HG12 ILE 63 2HG1 ILE 63 10.023 1.023 -1.315 519 HG13 ILE 63 1HG1 ILE 63 11.328 1.813 -0.431 520 HG21 ILE 63 1HG2 ILE 63 7.309 3.158 0.111 521 HG22 ILE 63 2HG2 ILE 63 7.767 1.542 0.646 522 HG23 ILE 63 3HG2 ILE 63 7.641 1.898 -1.077 523 HD11 ILE 63 3HD1 ILE 63 10.881 -0.378 0.475 524 HD12 ILE 63 1HD1 ILE 63 9.190 0.047 0.744 525 HD13 ILE 63 2HD1 ILE 63 10.464 0.862 1.656 526 H LYS 64 H LYS 64 7.843 4.440 -2.871 527 HA LYS 64 HA LYS 64 6.327 6.105 -1.000 528 HB2 LYS 64 2HB LYS 64 7.318 7.084 -3.689 529 HB3 LYS 64 1HB LYS 64 5.991 7.844 -2.822 530 HG2 LYS 64 2HG LYS 64 7.611 8.179 -0.897 531 HG3 LYS 64 1HG LYS 64 8.889 7.693 -2.013 532 HD2 LYS 64 2HD LYS 64 6.978 10.001 -2.443 533 HD3 LYS 64 1HD LYS 64 8.637 10.149 -1.868 534 HE2 LYS 64 2HE LYS 64 7.852 8.954 -4.526 535 HE3 LYS 64 1HE LYS 64 8.363 10.625 -4.297 536 HZ1 LYS 64 3HZ LYS 64 10.490 9.854 -3.514 537 HZ2 LYS 64 1HZ LYS 64 10.174 9.194 -5.037 538 HZ3 LYS 64 2HZ LYS 64 10.010 8.240 -3.649 539 H ILE 65 H ILE 65 4.096 6.236 -1.477 540 HA ILE 65 HA ILE 65 3.147 4.090 -3.216 541 HB ILE 65 HB ILE 65 1.609 5.853 -1.291 542 HG12 ILE 65 2HG1 ILE 65 2.531 2.970 -1.045 543 HG13 ILE 65 1HG1 ILE 65 3.199 4.341 -0.166 544 HG21 ILE 65 1HG2 ILE 65 0.162 5.063 -3.083 545 HG22 ILE 65 2HG2 ILE 65 -0.224 4.222 -1.581 546 HG23 ILE 65 3HG2 ILE 65 0.718 3.408 -2.831 547 HD11 ILE 65 3HD1 ILE 65 1.709 3.047 1.235 548 HD12 ILE 65 1HD1 ILE 65 0.394 3.276 0.085 549 HD13 ILE 65 2HD1 ILE 65 1.051 4.659 0.961 550 H ILE 66 H ILE 66 2.403 4.422 -5.206 551 HA ILE 66 HA ILE 66 1.952 7.088 -6.245 552 HB ILE 66 HB ILE 66 1.491 4.438 -7.640 553 HG12 ILE 66 2HG1 ILE 66 3.996 6.152 -7.645 554 HG13 ILE 66 1HG1 ILE 66 3.818 4.619 -6.797 555 HG21 ILE 66 1HG2 ILE 66 0.419 6.350 -8.729 556 HG22 ILE 66 2HG2 ILE 66 1.751 5.731 -9.704 557 HG23 ILE 66 3HG2 ILE 66 1.962 7.207 -8.761 558 HD11 ILE 66 3HD1 ILE 66 3.688 5.021 -9.778 559 HD12 ILE 66 1HD1 ILE 66 3.480 3.483 -8.936 560 HD13 ILE 66 2HD1 ILE 66 5.028 4.324 -8.869 561 H ASN 67 H ASN 67 -0.040 4.147 -6.563 562 HA ASN 67 HA ASN 67 -2.453 5.658 -5.809 563 HB2 ASN 67 2HB ASN 67 -2.254 3.883 -8.264 564 HB3 ASN 67 1HB ASN 67 -3.703 4.702 -7.697 565 HD21 ASN 67 1HD2 ASN 67 -2.276 7.178 -7.040 566 HD22 ASN 67 2HD2 ASN 67 -1.912 7.917 -8.556 567 H PHE 68 H PHE 68 -4.375 4.080 -5.620 568 HA PHE 68 HA PHE 68 -3.497 1.458 -4.565 569 HB2 PHE 68 2HB PHE 68 -5.944 3.068 -3.769 570 HB3 PHE 68 1HB PHE 68 -5.477 1.507 -3.106 571 HD1 PHE 68 HD2 PHE 68 -3.590 1.317 -1.557 572 HD2 PHE 68 HD1 PHE 68 -4.824 5.096 -3.102 573 HE1 PHE 68 HE2 PHE 68 -2.286 2.461 0.192 574 HE2 PHE 68 HE1 PHE 68 -3.524 6.236 -1.355 575 HZ PHE 68 HZ PHE 68 -2.253 4.920 0.294 576 H LEU 69 H LEU 69 -4.539 -0.381 -5.332 577 HA LEU 69 HA LEU 69 -6.957 -0.028 -6.937 578 HB2 LEU 69 2HB LEU 69 -6.119 -1.481 -8.745 579 HB3 LEU 69 1HB LEU 69 -5.271 0.044 -8.633 580 HG LEU 69 HG LEU 69 -4.157 -2.524 -7.491 581 HD11 LEU 69 1HD1 LEU 69 -3.644 -1.314 -10.213 582 HD12 LEU 69 2HD1 LEU 69 -4.500 -2.821 -9.889 583 HD13 LEU 69 3HD1 LEU 69 -2.784 -2.685 -9.509 584 HD21 LEU 69 3HD2 LEU 69 -3.175 -0.476 -6.589 585 HD22 LEU 69 1HD2 LEU 69 -2.854 0.105 -8.223 586 HD23 LEU 69 2HD2 LEU 69 -2.017 -1.324 -7.614 587 H TYR 70 H TYR 70 -8.328 -1.788 -7.036 588 HA TYR 70 HA TYR 70 -8.135 -3.595 -4.792 589 HB2 TYR 70 2HB TYR 70 -10.221 -3.540 -6.994 590 HB3 TYR 70 1HB TYR 70 -10.378 -4.296 -5.412 591 HD1 TYR 70 HD1 TYR 70 -9.646 -2.365 -3.471 592 HD2 TYR 70 HD2 TYR 70 -11.593 -1.712 -7.202 593 HE1 TYR 70 HE1 TYR 70 -10.632 -0.292 -2.587 594 HE2 TYR 70 HE2 TYR 70 -12.579 0.368 -6.327 595 HH TYR 70 HH TYR 70 -11.537 1.833 -3.459 596 HA PRO 71 HA PRO 71 -6.932 -7.587 -6.653 597 HB2 PRO 71 2HB PRO 71 -9.794 -8.298 -6.054 598 HB3 PRO 71 1HB PRO 71 -8.328 -9.255 -5.799 599 HG2 PRO 71 2HG PRO 71 -9.484 -7.973 -3.766 600 HG3 PRO 71 1HG PRO 71 -7.718 -8.061 -3.901 601 HD2 PRO 71 2HD PRO 71 -9.532 -5.757 -4.353 602 HD3 PRO 71 1HD PRO 71 -7.829 -5.772 -3.856 603 H ASP 72 H ASP 72 -7.358 -8.791 -8.609 604 HA ASP 72 HA ASP 72 -7.981 -7.086 -10.713 605 HB2 ASP 72 2HB ASP 72 -6.505 -9.108 -10.822 606 HB3 ASP 72 1HB ASP 72 -7.958 -10.105 -10.864 607 H GLY 73 H GLY 73 -10.045 -6.172 -10.561 608 HA2 GLY 73 2HA GLY 73 -11.938 -6.791 -12.230 609 HA3 GLY 73 1HA GLY 73 -12.306 -8.004 -11.024 610 H ASP 74 H ASP 74 -13.024 -7.245 -8.893 611 HA ASP 74 HA ASP 74 -14.759 -4.896 -9.337 612 HB2 ASP 74 2HB ASP 74 -16.003 -6.959 -9.486 613 HB3 ASP 74 1HB ASP 74 -15.338 -7.528 -7.959 614 H PHE 75 H PHE 75 -15.465 -3.670 -7.539 615 HA PHE 75 HA PHE 75 -13.454 -3.182 -5.573 616 HB2 PHE 75 2HB PHE 75 -15.009 -1.447 -4.723 617 HB3 PHE 75 1HB PHE 75 -14.750 -1.330 -6.458 618 HD1 PHE 75 HD1 PHE 75 -16.539 -2.062 -8.028 619 HD2 PHE 75 HD2 PHE 75 -17.181 -1.861 -3.820 620 HE1 PHE 75 HE1 PHE 75 -18.970 -2.115 -8.397 621 HE2 PHE 75 HE2 PHE 75 -19.612 -1.914 -4.190 622 HZ PHE 75 HZ PHE 75 -20.511 -2.043 -6.479 623 H GLY 76 H GLY 76 -16.734 -4.585 -5.409 624 HA2 GLY 76 2HA GLY 76 -16.762 -4.994 -2.597 625 HA3 GLY 76 1HA GLY 76 -17.760 -5.842 -3.769 626 H SER 77 H SER 77 -15.559 -6.906 -5.281 627 HA SER 77 HA SER 77 -14.971 -9.307 -4.005 628 HB2 SER 77 2HB SER 77 -14.705 -8.876 -6.448 629 HB3 SER 77 1HB SER 77 -13.258 -7.931 -6.095 630 HG SER 77 HG SER 77 -12.783 -10.104 -6.675 631 H ALA 78 H ALA 78 -13.182 -6.256 -3.987 632 HA ALA 78 HA ALA 78 -10.875 -7.124 -2.617 633 HB1 ALA 78 3HB ALA 78 -11.020 -4.951 -3.743 634 HB2 ALA 78 1HB ALA 78 -10.535 -4.768 -2.057 635 HB3 ALA 78 2HB ALA 78 -12.191 -4.403 -2.543 636 H ASN 79 H ASN 79 -14.005 -5.966 -1.442 637 HA ASN 79 HA ASN 79 -13.269 -5.921 1.312 638 HB2 ASN 79 2HB ASN 79 -15.993 -5.904 -0.005 639 HB3 ASN 79 1HB ASN 79 -15.711 -5.629 1.712 640 HD21 ASN 79 1HD2 ASN 79 -16.553 -3.553 1.637 641 HD22 ASN 79 2HD2 ASN 79 -15.719 -2.245 0.882 642 H LYS 80 H LYS 80 -14.524 -8.437 -0.789 643 HA LYS 80 HA LYS 80 -15.258 -10.119 1.464 644 HB2 LYS 80 2HB LYS 80 -16.138 -11.660 -0.053 645 HB3 LYS 80 1HB LYS 80 -16.437 -10.115 -0.823 646 HG2 LYS 80 2HG LYS 80 -14.666 -10.459 -2.390 647 HG3 LYS 80 1HG LYS 80 -14.087 -11.879 -1.511 648 HD2 LYS 80 2HD LYS 80 -16.266 -12.996 -1.990 649 HD3 LYS 80 1HD LYS 80 -16.718 -11.609 -2.980 650 HE2 LYS 80 2HE LYS 80 -14.294 -13.341 -3.468 651 HE3 LYS 80 1HE LYS 80 -15.843 -13.539 -4.284 652 HZ1 LYS 80 3HZ LYS 80 -15.591 -11.228 -5.096 653 HZ2 LYS 80 1HZ LYS 80 -14.406 -12.285 -5.679 654 HZ3 LYS 80 2HZ LYS 80 -14.028 -11.195 -4.445 655 H ASN 81 H ASN 81 -12.597 -9.887 -0.846 656 HA ASN 81 HA ASN 81 -11.260 -12.226 0.217 657 HB2 ASN 81 2HB ASN 81 -10.465 -10.133 -1.812 658 HB3 ASN 81 1HB ASN 81 -9.359 -11.402 -1.286 659 HD21 ASN 81 1HD2 ASN 81 -9.710 -13.498 -1.947 660 HD22 ASN 81 2HD2 ASN 81 -10.863 -13.920 -3.160 661 H GLY 82 H GLY 82 -11.151 -8.765 0.731 662 HA2 GLY 82 2HA GLY 82 -10.290 -7.608 2.538 663 HA3 GLY 82 1HA GLY 82 -9.703 -9.126 3.191 664 H THR 83 H THR 83 -8.855 -8.038 -0.029 665 HA THR 83 HA THR 83 -6.097 -7.514 0.906 666 HB THR 83 HB THR 83 -5.251 -8.459 -1.209 667 HG1 THR 83 HG1 THR 83 -6.570 -9.135 -2.752 668 HG21 THR 83 3HG2 THR 83 -7.033 -10.360 0.327 669 HG22 THR 83 1HG2 THR 83 -5.371 -9.930 0.730 670 HG23 THR 83 2HG2 THR 83 -5.713 -10.833 -0.744 671 H LEU 84 H LEU 84 -4.828 -6.039 -0.352 672 HA LEU 84 HA LEU 84 -6.218 -4.396 -2.337 673 HB2 LEU 84 2HB LEU 84 -6.508 -3.436 0.031 674 HB3 LEU 84 1HB LEU 84 -4.791 -3.101 -0.005 675 HG LEU 84 HG LEU 84 -6.327 -1.159 -0.523 676 HD11 LEU 84 1HD1 LEU 84 -3.937 -1.141 -1.102 677 HD12 LEU 84 2HD1 LEU 84 -4.923 -0.228 -2.241 678 HD13 LEU 84 3HD1 LEU 84 -4.332 -1.831 -2.678 679 HD21 LEU 84 3HD2 LEU 84 -7.935 -2.376 -1.911 680 HD22 LEU 84 1HD2 LEU 84 -6.693 -2.613 -3.140 681 HD23 LEU 84 2HD2 LEU 84 -7.255 -0.985 -2.755 682 H LYS 85 H LYS 85 -4.846 -3.580 -3.907 683 HA LYS 85 HA LYS 85 -2.092 -4.561 -3.840 684 HB2 LYS 85 2HB LYS 85 -3.637 -3.240 -6.077 685 HB3 LYS 85 1HB LYS 85 -2.042 -3.962 -6.223 686 HG2 LYS 85 2HG LYS 85 -2.990 -6.165 -5.690 687 HG3 LYS 85 1HG LYS 85 -4.593 -5.434 -5.551 688 HD2 LYS 85 2HD LYS 85 -4.489 -4.746 -7.901 689 HD3 LYS 85 1HD LYS 85 -2.874 -5.440 -8.040 690 HE2 LYS 85 2HE LYS 85 -5.426 -6.943 -7.452 691 HE3 LYS 85 1HE LYS 85 -4.547 -6.937 -8.981 692 HZ1 LYS 85 3HZ LYS 85 -3.630 -8.052 -6.393 693 HZ2 LYS 85 1HZ LYS 85 -2.634 -7.898 -7.753 694 HZ3 LYS 85 2HZ LYS 85 -3.989 -8.903 -7.804 695 H LEU 86 H LEU 86 -0.658 -3.248 -2.891 696 HA LEU 86 HA LEU 86 -0.872 -0.363 -3.013 697 HB2 LEU 86 2HB LEU 86 1.192 -2.215 -1.812 698 HB3 LEU 86 1HB LEU 86 1.350 -0.471 -1.785 699 HG LEU 86 HG LEU 86 0.537 -1.222 0.350 700 HD11 LEU 86 1HD1 LEU 86 -1.712 0.068 -1.192 701 HD12 LEU 86 2HD1 LEU 86 -0.329 0.905 -0.488 702 HD13 LEU 86 3HD1 LEU 86 -1.492 0.095 0.559 703 HD21 LEU 86 3HD2 LEU 86 -0.441 -3.350 -0.312 704 HD22 LEU 86 1HD2 LEU 86 -1.758 -2.509 -1.133 705 HD23 LEU 86 2HD2 LEU 86 -1.592 -2.395 0.621 706 H SER 87 H SER 87 -0.086 0.842 -4.618 707 HA SER 87 HA SER 87 1.860 -0.284 -6.497 708 HB2 SER 87 2HB SER 87 -0.100 0.820 -7.459 709 HB3 SER 87 1HB SER 87 0.281 2.306 -6.590 710 HG SER 87 HG SER 87 1.146 1.546 -8.971 711 H LEU 88 H LEU 88 3.911 -0.135 -5.692 712 HA LEU 88 HA LEU 88 4.751 2.374 -4.401 713 HB2 LEU 88 2HB LEU 88 6.016 -0.370 -4.460 714 HB3 LEU 88 1HB LEU 88 6.832 1.038 -3.812 715 HG LEU 88 HG LEU 88 5.961 -0.170 -1.971 716 HD11 LEU 88 1HD1 LEU 88 4.112 2.150 -2.501 717 HD12 LEU 88 2HD1 LEU 88 5.732 2.248 -1.808 718 HD13 LEU 88 3HD1 LEU 88 4.447 1.420 -0.930 719 HD21 LEU 88 3HD2 LEU 88 3.257 -0.130 -3.311 720 HD22 LEU 88 1HD2 LEU 88 3.625 -0.805 -1.724 721 HD23 LEU 88 2HD2 LEU 88 4.318 -1.531 -3.174 722 H MET 89 H MET 89 6.117 3.774 -5.353 723 HA MET 89 HA MET 89 7.477 2.992 -7.830 724 HB2 MET 89 2HB MET 89 8.113 5.393 -7.998 725 HB3 MET 89 1HB MET 89 6.377 5.143 -7.937 726 HG2 MET 89 2HG MET 89 6.242 5.927 -5.707 727 HG3 MET 89 1HG MET 89 7.991 5.866 -5.506 728 HE1 MET 89 3HE MET 89 5.823 8.948 -8.187 729 HE2 MET 89 1HE MET 89 4.985 7.724 -7.230 730 HE3 MET 89 2HE MET 89 5.969 7.246 -8.614 731 H LEU 90 H LEU 90 9.277 1.846 -7.408 732 HA LEU 90 HA LEU 90 10.955 2.402 -5.124 733 HB2 LEU 90 2HB LEU 90 11.245 0.451 -7.419 734 HB3 LEU 90 1HB LEU 90 12.410 0.591 -6.118 735 HG LEU 90 HG LEU 90 11.018 -1.290 -5.648 736 HD11 LEU 90 1HD1 LEU 90 11.635 0.068 -3.727 737 HD12 LEU 90 2HD1 LEU 90 10.061 -0.688 -3.491 738 HD13 LEU 90 3HD1 LEU 90 10.163 1.023 -3.910 739 HD21 LEU 90 3HD2 LEU 90 8.593 -1.161 -5.448 740 HD22 LEU 90 1HD2 LEU 90 9.115 -0.711 -7.071 741 HD23 LEU 90 2HD2 LEU 90 8.628 0.536 -5.922 742 H THR 91 H THR 91 12.022 4.285 -5.258 743 HA THR 91 HA THR 91 13.336 5.031 -7.776 744 HB THR 91 HB THR 91 13.106 6.668 -5.236 745 HG1 THR 91 HG1 THR 91 11.103 6.020 -6.534 746 HG21 THR 91 3HG2 THR 91 13.637 8.568 -6.706 747 HG22 THR 91 1HG2 THR 91 13.804 7.466 -8.073 748 HG23 THR 91 2HG2 THR 91 14.936 7.374 -6.724 749 H ASP 92 H ASP 92 15.220 3.989 -7.983 750 HA ASP 92 HA ASP 92 16.963 3.188 -5.936 751 HB2 ASP 92 2HB ASP 92 17.023 2.212 -8.166 752 HB3 ASP 92 1HB ASP 92 17.487 3.758 -8.870 753 H LYS 93 H LYS 93 18.892 4.102 -5.100 754 HA LYS 93 HA LYS 93 19.000 7.044 -5.402 755 HB2 LYS 93 2HB LYS 93 19.536 5.287 -3.013 756 HB3 LYS 93 1HB LYS 93 19.992 6.986 -3.065 757 HG2 LYS 93 2HG LYS 93 17.193 5.891 -3.341 758 HG3 LYS 93 1HG LYS 93 17.868 6.694 -1.920 759 HD2 LYS 93 2HD LYS 93 18.194 8.744 -3.242 760 HD3 LYS 93 1HD LYS 93 17.508 7.939 -4.654 761 HE2 LYS 93 2HE LYS 93 15.841 9.353 -3.601 762 HE3 LYS 93 1HE LYS 93 15.386 7.658 -3.446 763 HZ1 LYS 93 3HZ LYS 93 16.681 9.292 -1.333 764 HZ2 LYS 93 1HZ LYS 93 16.211 7.678 -1.181 765 HZ3 LYS 93 2HZ LYS 93 15.043 8.881 -1.388 766 H LYS 94 H LYS 94 20.690 4.669 -6.656 767 HA LYS 94 HA LYS 94 23.256 6.093 -6.279 768 HB2 LYS 94 2HB LYS 94 24.416 3.980 -6.810 769 HB3 LYS 94 1HB LYS 94 23.433 3.862 -5.358 770 HG2 LYS 94 2HG LYS 94 21.655 2.932 -7.120 771 HG3 LYS 94 1HG LYS 94 23.133 2.512 -7.985 772 HD2 LYS 94 2HD LYS 94 22.360 1.674 -5.188 773 HD3 LYS 94 1HD LYS 94 22.430 0.647 -6.618 774 HE2 LYS 94 2HE LYS 94 24.838 0.957 -6.749 775 HE3 LYS 94 1HE LYS 94 24.789 2.056 -5.370 776 HZ1 LYS 94 3HZ LYS 94 24.099 -0.829 -5.347 777 HZ2 LYS 94 1HZ LYS 94 23.918 0.215 -4.027 778 HZ3 LYS 94 2HZ LYS 94 25.460 -0.111 -4.643 779 H ASN 95 H ASN 95 21.565 4.036 -8.672 780 HA ASN 95 HA ASN 95 22.732 5.554 -10.871 781 HB2 ASN 95 2HB ASN 95 20.870 3.164 -10.865 782 HB3 ASN 95 1HB ASN 95 21.584 3.891 -12.305 783 HD21 ASN 95 1HD2 ASN 95 23.786 3.666 -12.671 784 HD22 ASN 95 2HD2 ASN 95 24.729 2.462 -11.869 785 H ASN 96 H ASN 96 19.897 5.541 -8.970 786 HA ASN 96 HA ASN 96 18.166 7.003 -8.853 787 HB2 ASN 96 2HB ASN 96 19.633 8.406 -11.095 788 HB3 ASN 96 1HB ASN 96 18.179 9.043 -10.335 789 HD21 ASN 96 1HD2 ASN 96 20.773 7.342 -8.665 790 HD22 ASN 96 2HD2 ASN 96 21.297 8.694 -7.736 791 H GLN 97 H GLN 97 17.937 4.604 -10.411 792 HA GLN 97 HA GLN 97 16.199 5.295 -12.655 793 HB2 GLN 97 2HB GLN 97 17.003 2.584 -11.561 794 HB3 GLN 97 1HB GLN 97 16.073 2.853 -13.030 795 HG2 GLN 97 2HG GLN 97 18.930 3.695 -12.542 796 HG3 GLN 97 1HG GLN 97 18.383 2.367 -13.562 797 HE21 GLN 97 1HE2 GLN 97 17.427 2.835 -15.552 798 HE22 GLN 97 2HE2 GLN 97 17.547 4.392 -16.288 799 H VAL 98 H VAL 98 13.978 4.952 -12.719 800 HA VAL 98 HA VAL 98 12.703 4.509 -10.098 801 HB VAL 98 HB VAL 98 12.175 6.657 -11.109 802 HG11 VAL 98 1HG1 VAL 98 11.054 5.097 -13.440 803 HG12 VAL 98 2HG1 VAL 98 12.490 6.120 -13.459 804 HG13 VAL 98 3HG1 VAL 98 10.901 6.838 -13.197 805 HG21 VAL 98 3HG2 VAL 98 9.739 6.553 -11.007 806 HG22 VAL 98 1HG2 VAL 98 10.465 5.560 -9.743 807 HG23 VAL 98 2HG2 VAL 98 9.793 4.799 -11.186 808 H TYR 99 H TYR 99 11.592 2.700 -9.721 809 HA TYR 99 HA TYR 99 10.668 1.059 -12.008 810 HB2 TYR 99 2HB TYR 99 12.624 0.071 -10.860 811 HB3 TYR 99 1HB TYR 99 11.749 0.107 -9.335 812 HD1 TYR 99 HD2 TYR 99 11.979 -1.518 -12.638 813 HD2 TYR 99 HD1 TYR 99 10.101 -1.583 -8.812 814 HE1 TYR 99 HE2 TYR 99 11.113 -3.771 -13.103 815 HE2 TYR 99 HE1 TYR 99 9.236 -3.838 -9.269 816 HH TYR 99 HH TYR 99 8.675 -5.207 -11.366 817 H TYR 100 H TYR 100 8.634 0.041 -11.812 818 HA TYR 100 HA TYR 100 6.994 0.946 -9.521 819 HB2 TYR 100 2HB TYR 100 6.008 0.052 -12.242 820 HB3 TYR 100 1HB TYR 100 5.049 0.781 -10.958 821 HD1 TYR 100 HD2 TYR 100 6.313 3.145 -10.126 822 HD2 TYR 100 HD1 TYR 100 6.321 1.454 -14.037 823 HE1 TYR 100 HE2 TYR 100 6.733 5.369 -11.087 824 HE2 TYR 100 HE1 TYR 100 6.741 3.671 -15.002 825 HH TYR 100 HH TYR 100 6.367 6.053 -14.361 826 H LYS 101 H LYS 101 6.236 -0.561 -8.138 827 HA LYS 101 HA LYS 101 6.023 -3.355 -9.063 828 HB2 LYS 101 2HB LYS 101 8.141 -3.057 -7.806 829 HB3 LYS 101 1HB LYS 101 7.222 -2.489 -6.421 830 HG2 LYS 101 2HG LYS 101 7.829 -4.763 -6.032 831 HG3 LYS 101 1HG LYS 101 6.092 -4.708 -6.323 832 HD2 LYS 101 2HD LYS 101 7.501 -5.115 -8.813 833 HD3 LYS 101 1HD LYS 101 8.020 -6.311 -7.625 834 HE2 LYS 101 2HE LYS 101 5.137 -5.732 -8.326 835 HE3 LYS 101 1HE LYS 101 6.088 -7.045 -9.015 836 HZ1 LYS 101 3HZ LYS 101 4.682 -7.757 -7.162 837 HZ2 LYS 101 1HZ LYS 101 5.510 -6.714 -6.123 838 HZ3 LYS 101 2HZ LYS 101 6.324 -8.010 -6.841 839 H LEU 102 H LEU 102 4.032 -4.113 -8.744 840 HA LEU 102 HA LEU 102 2.260 -2.902 -6.757 841 HB2 LEU 102 2HB LEU 102 1.751 -5.112 -8.765 842 HB3 LEU 102 1HB LEU 102 0.533 -4.367 -7.748 843 HG LEU 102 HG LEU 102 2.099 -2.973 -9.930 844 HD11 LEU 102 1HD1 LEU 102 0.461 -4.548 -10.818 845 HD12 LEU 102 2HD1 LEU 102 -0.039 -2.883 -11.114 846 HD13 LEU 102 3HD1 LEU 102 -0.799 -3.817 -9.824 847 HD21 LEU 102 3HD2 LEU 102 -0.109 -1.954 -8.136 848 HD22 LEU 102 1HD2 LEU 102 0.548 -1.098 -9.534 849 HD23 LEU 102 2HD2 LEU 102 1.575 -1.425 -8.140 850 H LEU 103 H LEU 103 2.069 -3.700 -4.739 851 HA LEU 103 HA LEU 103 2.514 -6.597 -4.322 852 HB2 LEU 103 2HB LEU 103 3.066 -4.361 -2.359 853 HB3 LEU 103 1HB LEU 103 3.208 -6.072 -2.008 854 HG LEU 103 HG LEU 103 4.939 -6.079 -3.965 855 HD11 LEU 103 1HD1 LEU 103 5.003 -3.163 -3.190 856 HD12 LEU 103 2HD1 LEU 103 4.491 -3.807 -4.751 857 HD13 LEU 103 3HD1 LEU 103 6.164 -3.992 -4.226 858 HD21 LEU 103 3HD2 LEU 103 5.553 -4.825 -1.292 859 HD22 LEU 103 1HD2 LEU 103 6.736 -5.538 -2.389 860 HD23 LEU 103 2HD2 LEU 103 5.497 -6.552 -1.649 861 H GLU 104 H GLU 104 0.705 -7.648 -3.801 862 HA GLU 104 HA GLU 104 -1.579 -6.161 -2.729 863 HB2 GLU 104 2HB GLU 104 -1.960 -7.586 -4.688 864 HB3 GLU 104 1HB GLU 104 -1.396 -8.991 -3.793 865 HG2 GLU 104 2HG GLU 104 -3.280 -8.789 -2.258 866 HG3 GLU 104 1HG GLU 104 -3.830 -7.346 -3.107 867 H VAL 105 H VAL 105 -1.869 -6.095 -0.593 868 HA VAL 105 HA VAL 105 -1.015 -8.409 1.050 869 HB VAL 105 HB VAL 105 -0.516 -6.908 2.884 870 HG11 VAL 105 1HG1 VAL 105 0.795 -5.972 0.326 871 HG12 VAL 105 2HG1 VAL 105 1.293 -7.344 1.316 872 HG13 VAL 105 3HG1 VAL 105 1.418 -5.707 1.957 873 HG21 VAL 105 3HG2 VAL 105 -0.605 -4.459 2.618 874 HG22 VAL 105 1HG2 VAL 105 -2.201 -5.199 2.488 875 HG23 VAL 105 2HG2 VAL 105 -1.353 -4.669 1.035 876 H SER 106 H SER 106 -2.166 -8.267 3.320 877 HA SER 106 HA SER 106 -4.997 -7.521 2.980 878 HB2 SER 106 2HB SER 106 -5.733 -9.671 3.897 879 HB3 SER 106 1HB SER 106 -4.773 -9.931 2.441 880 HG SER 106 HG SER 106 -3.137 -10.711 3.624 881 H GLY 107 H GLY 107 -6.147 -8.132 5.245 882 HA2 GLY 107 2HA GLY 107 -5.727 -8.262 7.660 883 HA3 GLY 107 1HA GLY 107 -4.373 -7.175 7.419 884 H PHE 108 H PHE 108 -6.626 -5.907 5.451 885 HA PHE 108 HA PHE 108 -7.327 -3.794 7.253 886 HB2 PHE 108 2HB PHE 108 -8.530 -4.355 4.526 887 HB3 PHE 108 1HB PHE 108 -8.516 -2.817 5.381 888 HD1 PHE 108 HD2 PHE 108 -6.454 -1.493 5.525 889 HD2 PHE 108 HD1 PHE 108 -6.596 -5.147 3.338 890 HE1 PHE 108 HE2 PHE 108 -4.355 -0.895 4.390 891 HE2 PHE 108 HE1 PHE 108 -4.496 -4.553 2.201 892 HZ PHE 108 HZ PHE 108 -3.373 -2.424 2.727 893 H LYS 109 H LYS 109 -9.740 -5.443 5.242 894 HA LYS 109 HA LYS 109 -11.127 -6.510 7.571 895 HB2 LYS 109 2HB LYS 109 -12.328 -4.477 5.692 896 HB3 LYS 109 1HB LYS 109 -13.339 -5.626 6.558 897 HG2 LYS 109 2HG LYS 109 -11.504 -3.583 7.791 898 HG3 LYS 109 1HG LYS 109 -13.265 -3.513 7.724 899 HD2 LYS 109 2HD LYS 109 -13.365 -5.579 9.085 900 HD3 LYS 109 1HD LYS 109 -11.604 -5.567 9.193 901 HE2 LYS 109 2HE LYS 109 -12.411 -4.611 11.209 902 HE3 LYS 109 1HE LYS 109 -11.794 -3.278 10.238 903 HZ1 LYS 109 3HZ LYS 109 -13.890 -2.688 11.222 904 HZ2 LYS 109 1HZ LYS 109 -14.644 -4.048 10.559 905 HZ3 LYS 109 2HZ LYS 109 -14.089 -2.810 9.548 906 H SER 110 H SER 110 -12.318 -8.322 7.129 907 HA SER 110 HA SER 110 -12.365 -9.254 4.325 908 HB2 SER 110 2HB SER 110 -11.737 -11.521 5.066 909 HB3 SER 110 1HB SER 110 -10.481 -10.345 5.456 910 HG SER 110 HG SER 110 -12.472 -11.123 7.323 911 H ASN 111 H ASN 111 -14.449 -9.357 3.797 912 HA ASN 111 HA ASN 111 -16.295 -10.774 5.622 913 HB2 ASN 111 2HB ASN 111 -16.865 -8.266 4.023 914 HB3 ASN 111 1HB ASN 111 -18.101 -9.218 4.827 915 HD21 ASN 111 1HD2 ASN 111 -16.278 -9.770 7.128 916 HD22 ASN 111 2HD2 ASN 111 -16.278 -8.305 8.035 917 HA PRO 112 HA PRO 112 -16.158 -12.706 1.369 918 HB2 PRO 112 2HB PRO 112 -16.319 -15.260 2.829 919 HB3 PRO 112 1HB PRO 112 -15.127 -14.711 1.650 920 HG2 PRO 112 2HG PRO 112 -14.536 -14.952 4.270 921 HG3 PRO 112 1HG PRO 112 -13.804 -13.702 3.248 922 HD2 PRO 112 2HD PRO 112 -16.060 -13.460 5.219 923 HD3 PRO 112 1HD PRO 112 -14.695 -12.359 4.921 924 H TYR 113 H TYR 113 -17.876 -14.876 3.580 925 HA TYR 113 HA TYR 113 -20.133 -15.139 1.914 926 HB2 TYR 113 2HB TYR 113 -21.166 -16.168 4.050 927 HB3 TYR 113 1HB TYR 113 -19.748 -16.945 3.358 928 HD1 TYR 113 HD2 TYR 113 -20.904 -14.737 6.109 929 HD2 TYR 113 HD1 TYR 113 -17.717 -17.114 4.585 930 HE1 TYR 113 HE2 TYR 113 -19.735 -14.542 8.263 931 HE2 TYR 113 HE1 TYR 113 -16.541 -16.922 6.733 932 HH TYR 113 HH TYR 113 -18.036 -15.757 9.556 933 H LEU 114 H LEU 114 -19.313 -12.688 4.156 934 HA LEU 114 HA LEU 114 -21.993 -11.824 4.739 935 HB2 LEU 114 2HB LEU 114 -19.339 -10.429 5.059 936 HB3 LEU 114 1HB LEU 114 -20.862 -9.797 5.655 937 HG LEU 114 HG LEU 114 -19.559 -12.375 6.564 938 HD11 LEU 114 1HD1 LEU 114 -18.304 -10.415 7.300 939 HD12 LEU 114 2HD1 LEU 114 -19.114 -11.196 8.655 940 HD13 LEU 114 3HD1 LEU 114 -19.776 -9.710 7.972 941 HD21 LEU 114 3HD2 LEU 114 -22.025 -10.952 7.584 942 HD22 LEU 114 1HD2 LEU 114 -21.275 -12.370 8.320 943 HD23 LEU 114 2HD2 LEU 114 -21.990 -12.486 6.712 944 H GLU 115 H GLU 115 -19.462 -10.837 2.445 945 HA GLU 115 HA GLU 115 -20.757 -8.563 1.387 946 HB2 GLU 115 2HB GLU 115 -18.336 -9.190 1.085 947 HB3 GLU 115 1HB GLU 115 -18.840 -10.426 -0.051 948 HG2 GLU 115 2HG GLU 115 -19.523 -7.531 -0.480 949 HG3 GLU 115 1HG GLU 115 -17.964 -8.188 -0.963 950 H HIS 116 H HIS 116 -20.669 -11.929 0.265 951 HA HIS 116 HA HIS 116 -22.437 -11.409 -1.951 952 HB2 HIS 116 2HB HIS 116 -20.532 -13.027 -2.004 953 HB3 HIS 116 1HB HIS 116 -21.432 -14.062 -0.901 954 HD1 HIS 116 HD1 HIS 116 -21.724 -12.604 -4.385 955 HD2 HIS 116 HD2 HIS 116 -23.146 -15.804 -2.145 956 HE1 HIS 116 HE1 HIS 116 -23.006 -14.037 -5.997 957 HE2 HIS 116 HE2 HIS 116 -23.725 -16.038 -4.652 958 H HIS 117 H HIS 117 -23.288 -11.449 1.141 959 HA HIS 117 HA HIS 117 -25.871 -12.750 0.558 960 HB2 HIS 117 2HB HIS 117 -24.218 -13.075 3.061 961 HB3 HIS 117 1HB HIS 117 -25.949 -13.384 3.044 962 HD1 HIS 117 HD1 HIS 117 -23.172 -15.312 3.165 963 HD2 HIS 117 HD2 HIS 117 -26.264 -15.180 0.400 964 HE1 HIS 117 HE1 HIS 117 -23.165 -17.555 2.050 965 HE2 HIS 117 HE2 HIS 117 -24.897 -17.366 0.235 966 H HIS 118 H HIS 118 -25.081 -9.908 0.454 967 HA HIS 118 HA HIS 118 -26.329 -8.615 2.691 968 HB2 HIS 118 2HB HIS 118 -25.451 -7.662 -0.024 969 HB3 HIS 118 1HB HIS 118 -26.394 -6.616 1.032 970 HD1 HIS 118 HD1 HIS 118 -22.993 -7.416 0.248 971 HD2 HIS 118 HD2 HIS 118 -25.052 -6.362 3.702 972 HE1 HIS 118 HE1 HIS 118 -21.248 -6.587 1.850 973 HE2 HIS 118 HE2 HIS 118 -22.533 -5.822 3.870 974 H HIS 119 H HIS 119 -28.306 -9.652 2.942 975 HA HIS 119 HA HIS 119 -30.256 -9.438 0.760 976 HB2 HIS 119 2HB HIS 119 -31.602 -11.053 2.153 977 HB3 HIS 119 1HB HIS 119 -30.068 -11.674 1.560 978 HD1 HIS 119 HD1 HIS 119 -28.217 -12.139 3.326 979 HD2 HIS 119 HD2 HIS 119 -31.825 -10.856 4.938 980 HE1 HIS 119 HE1 HIS 119 -28.056 -12.600 5.784 981 HE2 HIS 119 HE2 HIS 119 -30.192 -11.700 6.755 982 H HIS 120 H HIS 120 -30.681 -7.205 1.017 983 HA HIS 120 HA HIS 120 -32.898 -6.642 2.721 984 HB2 HIS 120 2HB HIS 120 -31.980 -4.961 4.163 985 HB3 HIS 120 1HB HIS 120 -30.968 -6.390 4.336 986 HD1 HIS 120 HD1 HIS 120 -30.717 -2.859 3.923 987 HD2 HIS 120 HD2 HIS 120 -28.526 -6.122 2.569 988 HE1 HIS 120 HE1 HIS 120 -28.492 -1.933 3.235 989 HE2 HIS 120 HE2 HIS 120 -27.263 -3.885 2.240 990 H HIS 121 H HIS 121 -33.371 -4.120 2.603 991 HA HIS 121 HA HIS 121 -32.996 -3.350 -0.216 992 HB2 HIS 121 2HB HIS 121 -35.006 -2.353 1.826 993 HB3 HIS 121 1HB HIS 121 -34.939 -1.865 0.134 994 HD1 HIS 121 HD1 HIS 121 -36.446 -4.320 2.337 995 HD2 HIS 121 HD2 HIS 121 -35.444 -4.129 -1.690 996 HE1 HIS 121 HE1 HIS 121 -37.712 -6.187 1.242 997 HE2 HIS 121 HE2 HIS 121 -37.175 -5.986 -1.206 Start of MODEL 6 1 H1 MET 1 1H MET 1 24.515 -11.040 9.474 2 H2 MET 1 2H MET 1 24.475 -9.538 8.698 3 H3 MET 1 3H MET 1 25.629 -10.692 8.254 4 HA MET 1 HA MET 1 23.944 -12.155 7.402 5 HB2 MET 1 2HB MET 1 22.010 -9.951 8.177 6 HB3 MET 1 1HB MET 1 21.591 -11.428 7.323 7 HG2 MET 1 2HG MET 1 22.279 -12.740 9.284 8 HG3 MET 1 1HG MET 1 22.640 -11.242 10.141 9 HE1 MET 1 3HE MET 1 20.160 -9.415 8.983 10 HE2 MET 1 1HE MET 1 20.759 -9.372 10.641 11 HE3 MET 1 2HE MET 1 19.040 -9.612 10.331 12 H LEU 2 H LEU 2 25.758 -9.960 6.550 13 HA LEU 2 HA LEU 2 24.420 -8.397 4.555 14 HB2 LEU 2 2HB LEU 2 26.529 -7.802 5.885 15 HB3 LEU 2 1HB LEU 2 27.399 -8.857 4.796 16 HG LEU 2 HG LEU 2 27.574 -6.421 4.251 17 HD11 LEU 2 1HD1 LEU 2 26.255 -8.056 2.088 18 HD12 LEU 2 2HD1 LEU 2 27.960 -8.130 2.530 19 HD13 LEU 2 3HD1 LEU 2 27.287 -6.644 1.862 20 HD21 LEU 2 3HD2 LEU 2 25.676 -5.287 3.217 21 HD22 LEU 2 1HD2 LEU 2 25.308 -5.751 4.878 22 HD23 LEU 2 2HD2 LEU 2 24.651 -6.687 3.533 23 H SER 3 H SER 3 23.876 -9.026 2.566 24 HA SER 3 HA SER 3 25.586 -10.917 1.092 25 HB2 SER 3 2HB SER 3 23.717 -12.258 1.956 26 HB3 SER 3 1HB SER 3 22.563 -11.123 1.255 27 HG SER 3 HG SER 3 22.685 -12.397 -0.417 28 H GLN 4 H GLN 4 26.097 -10.125 -0.862 29 HA GLN 4 HA GLN 4 24.581 -7.814 -1.870 30 HB2 GLN 4 2HB GLN 4 27.336 -8.810 -2.624 31 HB3 GLN 4 1HB GLN 4 26.577 -7.344 -3.229 32 HG2 GLN 4 2HG GLN 4 26.496 -6.487 -0.895 33 HG3 GLN 4 1HG GLN 4 27.398 -7.913 -0.382 34 HE21 GLN 4 1HE2 GLN 4 29.577 -8.115 -1.020 35 HE22 GLN 4 2HE2 GLN 4 30.482 -6.752 -1.573 36 H ALA 5 H ALA 5 23.870 -10.747 -2.250 37 HA ALA 5 HA ALA 5 24.178 -11.298 -5.044 38 HB1 ALA 5 3HB ALA 5 23.854 -13.112 -3.459 39 HB2 ALA 5 1HB ALA 5 22.550 -13.106 -4.649 40 HB3 ALA 5 2HB ALA 5 22.266 -12.480 -3.025 41 H ASN 6 H ASN 6 22.713 -11.016 -6.732 42 HA ASN 6 HA ASN 6 21.172 -8.696 -6.767 43 HB2 ASN 6 2HB ASN 6 21.138 -11.123 -8.564 44 HB3 ASN 6 1HB ASN 6 20.122 -9.720 -8.874 45 HD21 ASN 6 1HD2 ASN 6 23.368 -9.503 -7.545 46 HD22 ASN 6 2HD2 ASN 6 24.071 -8.768 -8.938 47 H GLU 7 H GLU 7 20.126 -12.033 -6.167 48 HA GLU 7 HA GLU 7 17.355 -11.556 -6.272 49 HB2 GLU 7 2HB GLU 7 17.114 -13.682 -5.037 50 HB3 GLU 7 1HB GLU 7 18.229 -13.808 -6.391 51 HG2 GLU 7 2HG GLU 7 20.126 -13.734 -4.905 52 HG3 GLU 7 1HG GLU 7 19.074 -13.445 -3.518 53 H ASP 8 H ASP 8 19.628 -11.258 -3.554 54 HA ASP 8 HA ASP 8 17.657 -10.934 -1.552 55 HB2 ASP 8 2HB ASP 8 20.553 -10.082 -1.671 56 HB3 ASP 8 1HB ASP 8 19.544 -9.848 -0.244 57 H PHE 9 H PHE 9 19.261 -8.582 -3.670 58 HA PHE 9 HA PHE 9 18.221 -6.253 -2.459 59 HB2 PHE 9 2HB PHE 9 19.042 -6.747 -5.332 60 HB3 PHE 9 1HB PHE 9 18.653 -5.161 -4.674 61 HD1 PHE 9 HD1 PHE 9 19.998 -4.516 -2.490 62 HD2 PHE 9 HD2 PHE 9 21.263 -7.398 -5.362 63 HE1 PHE 9 HE1 PHE 9 22.325 -4.227 -1.750 64 HE2 PHE 9 HE2 PHE 9 23.589 -7.113 -4.620 65 HZ PHE 9 HZ PHE 9 24.123 -5.530 -2.808 66 H LYS 10 H LYS 10 17.024 -8.052 -5.313 67 HA LYS 10 HA LYS 10 14.636 -6.556 -5.586 68 HB2 LYS 10 2HB LYS 10 13.893 -8.284 -7.103 69 HB3 LYS 10 1HB LYS 10 15.605 -7.992 -7.375 70 HG2 LYS 10 2HG LYS 10 16.142 -9.994 -6.053 71 HG3 LYS 10 1HG LYS 10 14.417 -10.302 -5.846 72 HD2 LYS 10 2HD LYS 10 15.871 -10.177 -8.494 73 HD3 LYS 10 1HD LYS 10 15.410 -11.657 -7.654 74 HE2 LYS 10 2HE LYS 10 13.046 -11.029 -7.841 75 HE3 LYS 10 1HE LYS 10 13.504 -9.539 -8.665 76 HZ1 LYS 10 3HZ LYS 10 14.449 -10.857 -10.451 77 HZ2 LYS 10 1HZ LYS 10 12.816 -11.239 -10.229 78 HZ3 LYS 10 2HZ LYS 10 14.012 -12.291 -9.661 79 H LYS 11 H LYS 11 15.464 -9.390 -3.701 80 HA LYS 11 HA LYS 11 12.981 -10.313 -2.877 81 HB2 LYS 11 2HB LYS 11 15.238 -11.324 -2.431 82 HB3 LYS 11 1HB LYS 11 15.472 -10.129 -1.167 83 HG2 LYS 11 2HG LYS 11 13.609 -11.044 0.089 84 HG3 LYS 11 1HG LYS 11 13.284 -12.204 -1.208 85 HD2 LYS 11 2HD LYS 11 15.621 -13.071 -0.906 86 HD3 LYS 11 1HD LYS 11 15.760 -12.036 0.514 87 HE2 LYS 11 2HE LYS 11 13.943 -13.235 1.597 88 HE3 LYS 11 1HE LYS 11 13.703 -14.219 0.151 89 HZ1 LYS 11 3HZ LYS 11 16.124 -14.182 1.866 90 HZ2 LYS 11 1HZ LYS 11 15.972 -15.067 0.433 91 HZ3 LYS 11 2HZ LYS 11 14.990 -15.430 1.761 92 H ILE 12 H ILE 12 15.014 -7.808 -1.326 93 HA ILE 12 HA ILE 12 13.285 -7.089 0.747 94 HB ILE 12 HB ILE 12 15.175 -5.291 -0.797 95 HG12 ILE 12 2HG1 ILE 12 15.581 -6.855 1.772 96 HG13 ILE 12 1HG1 ILE 12 16.279 -7.257 0.207 97 HG21 ILE 12 1HG2 ILE 12 13.930 -4.889 1.932 98 HG22 ILE 12 2HG2 ILE 12 13.553 -3.975 0.471 99 HG23 ILE 12 3HG2 ILE 12 15.154 -3.851 1.197 100 HD11 ILE 12 3HD1 ILE 12 17.911 -6.193 1.641 101 HD12 ILE 12 1HD1 ILE 12 16.863 -4.788 1.830 102 HD13 ILE 12 2HD1 ILE 12 17.554 -5.166 0.251 103 H VAL 13 H VAL 13 13.397 -5.922 -2.604 104 HA VAL 13 HA VAL 13 11.433 -3.910 -2.393 105 HB VAL 13 HB VAL 13 12.114 -5.560 -4.841 106 HG11 VAL 13 1HG1 VAL 13 10.842 -2.829 -4.600 107 HG12 VAL 13 2HG1 VAL 13 10.042 -4.312 -5.126 108 HG13 VAL 13 3HG1 VAL 13 11.326 -3.605 -6.109 109 HG21 VAL 13 3HG2 VAL 13 13.678 -3.742 -5.397 110 HG22 VAL 13 1HG2 VAL 13 14.120 -4.564 -3.900 111 HG23 VAL 13 2HG2 VAL 13 13.336 -2.985 -3.840 112 H ASN 14 H ASN 14 11.142 -7.365 -3.164 113 HA ASN 14 HA ASN 14 8.281 -7.192 -3.572 114 HB2 ASN 14 2HB ASN 14 10.172 -9.549 -3.459 115 HB3 ASN 14 1HB ASN 14 8.436 -9.713 -3.714 116 HD21 ASN 14 1HD2 ASN 14 11.434 -8.647 -5.093 117 HD22 ASN 14 2HD2 ASN 14 10.854 -8.478 -6.710 118 H ASN 15 H ASN 15 10.352 -7.646 -0.856 119 HA ASN 15 HA ASN 15 8.207 -8.842 0.746 120 HB2 ASN 15 2HB ASN 15 11.124 -8.322 1.332 121 HB3 ASN 15 1HB ASN 15 9.989 -8.883 2.559 122 HD21 ASN 15 1HD2 ASN 15 12.319 -10.218 1.591 123 HD22 ASN 15 2HD2 ASN 15 11.798 -11.713 0.903 124 H ILE 16 H ILE 16 8.660 -5.845 -0.216 125 HA ILE 16 HA ILE 16 8.677 -4.263 2.096 126 HB ILE 16 HB ILE 16 7.306 -3.757 -0.551 127 HG12 ILE 16 2HG1 ILE 16 9.948 -2.751 0.551 128 HG13 ILE 16 1HG1 ILE 16 9.768 -4.016 -0.662 129 HG21 ILE 16 1HG2 ILE 16 7.270 -1.382 0.103 130 HG22 ILE 16 2HG2 ILE 16 7.854 -1.826 1.706 131 HG23 ILE 16 3HG2 ILE 16 6.269 -2.377 1.162 132 HD11 ILE 16 3HD1 ILE 16 8.748 -2.394 -2.186 133 HD12 ILE 16 1HD1 ILE 16 10.370 -1.911 -1.690 134 HD13 ILE 16 2HD1 ILE 16 8.960 -1.132 -0.972 135 H ARG 17 H ARG 17 7.157 -3.695 3.567 136 HA ARG 17 HA ARG 17 4.377 -4.585 3.212 137 HB2 ARG 17 2HB ARG 17 5.913 -6.252 4.509 138 HB3 ARG 17 1HB ARG 17 5.816 -5.081 5.816 139 HG2 ARG 17 2HG ARG 17 4.182 -6.780 6.196 140 HG3 ARG 17 1HG ARG 17 3.338 -5.294 5.751 141 HD2 ARG 17 2HD ARG 17 2.994 -6.103 3.502 142 HD3 ARG 17 1HD ARG 17 3.986 -7.527 3.817 143 HE ARG 17 HE ARG 17 1.781 -7.362 5.613 144 HH11 ARG 17 1HH1 ARG 17 2.619 -8.197 2.368 145 HH12 ARG 17 2HH1 ARG 17 1.340 -9.353 2.217 146 HH21 ARG 17 1HH2 ARG 17 0.134 -8.839 5.404 147 HH22 ARG 17 2HH2 ARG 17 -0.041 -9.726 3.928 148 H LEU 18 H LEU 18 2.831 -3.360 4.389 149 HA LEU 18 HA LEU 18 3.609 -0.651 4.851 150 HB2 LEU 18 2HB LEU 18 1.151 -0.395 5.509 151 HB3 LEU 18 1HB LEU 18 1.524 -0.865 3.866 152 HG LEU 18 HG LEU 18 0.991 -3.232 4.461 153 HD11 LEU 18 1HD1 LEU 18 0.027 -2.047 7.064 154 HD12 LEU 18 2HD1 LEU 18 1.387 -3.152 6.864 155 HD13 LEU 18 3HD1 LEU 18 -0.251 -3.700 6.514 156 HD21 LEU 18 3HD2 LEU 18 -1.224 -1.243 4.959 157 HD22 LEU 18 1HD2 LEU 18 -1.426 -2.927 4.476 158 HD23 LEU 18 2HD2 LEU 18 -0.654 -1.783 3.378 159 H LYS 19 H LYS 19 4.524 -2.829 6.794 160 HA LYS 19 HA LYS 19 4.351 -1.095 9.117 161 HB2 LYS 19 2HB LYS 19 2.540 -2.574 9.617 162 HB3 LYS 19 1HB LYS 19 3.467 -3.986 9.137 163 HG2 LYS 19 2HG LYS 19 3.205 -3.789 11.580 164 HG3 LYS 19 1HG LYS 19 4.893 -3.786 11.069 165 HD2 LYS 19 2HD LYS 19 4.612 -2.125 12.777 166 HD3 LYS 19 1HD LYS 19 4.878 -1.294 11.246 167 HE2 LYS 19 2HE LYS 19 2.408 -1.004 11.055 168 HE3 LYS 19 1HE LYS 19 2.247 -1.689 12.672 169 HZ1 LYS 19 3HZ LYS 19 2.259 0.602 12.989 170 HZ2 LYS 19 1HZ LYS 19 3.497 0.866 11.871 171 HZ3 LYS 19 2HZ LYS 19 3.842 0.156 13.365 172 H ASP 20 H ASP 20 5.550 -4.309 8.118 173 HA ASP 20 HA ASP 20 7.901 -4.323 9.615 174 HB2 ASP 20 2HB ASP 20 6.987 -6.331 8.605 175 HB3 ASP 20 1HB ASP 20 7.231 -5.674 6.990 176 H THR 21 H THR 21 7.250 -2.825 6.486 177 HA THR 21 HA THR 21 10.110 -2.191 6.146 178 HB THR 21 HB THR 21 7.865 -1.834 4.146 179 HG1 THR 21 HG1 THR 21 9.184 -4.046 4.932 180 HG21 THR 21 3HG2 THR 21 9.766 -0.331 3.737 181 HG22 THR 21 1HG2 THR 21 9.677 -1.589 2.503 182 HG23 THR 21 2HG2 THR 21 10.872 -1.704 3.794 183 H PHE 22 H PHE 22 6.925 -0.570 6.033 184 HA PHE 22 HA PHE 22 8.095 1.827 7.172 185 HB2 PHE 22 2HB PHE 22 7.398 3.334 5.402 186 HB3 PHE 22 1HB PHE 22 8.465 2.110 4.723 187 HD1 PHE 22 HD1 PHE 22 7.550 0.328 3.275 188 HD2 PHE 22 HD2 PHE 22 5.099 3.497 4.736 189 HE1 PHE 22 HE1 PHE 22 5.843 -0.213 1.593 190 HE2 PHE 22 HE2 PHE 22 3.393 2.952 3.053 191 HZ PHE 22 HZ PHE 22 3.764 1.097 1.477 192 H ASP 23 H ASP 23 6.543 3.261 8.038 193 HA ASP 23 HA ASP 23 3.824 2.144 8.291 194 HB2 ASP 23 2HB ASP 23 5.214 2.418 10.372 195 HB3 ASP 23 1HB ASP 23 5.217 4.153 10.086 196 H PHE 24 H PHE 24 2.438 3.139 6.881 197 HA PHE 24 HA PHE 24 3.037 5.856 6.008 198 HB2 PHE 24 2HB PHE 24 1.507 5.521 4.204 199 HB3 PHE 24 1HB PHE 24 2.482 4.068 4.344 200 HD1 PHE 24 HD1 PHE 24 1.425 2.071 5.626 201 HD2 PHE 24 HD2 PHE 24 -0.808 5.383 4.134 202 HE1 PHE 24 HE1 PHE 24 -0.637 0.722 5.691 203 HE2 PHE 24 HE2 PHE 24 -2.862 4.036 4.203 204 HZ PHE 24 HZ PHE 24 -2.778 1.702 4.981 205 H LYS 25 H LYS 25 2.051 7.614 6.692 206 HA LYS 25 HA LYS 25 -0.264 7.341 8.495 207 HB2 LYS 25 2HB LYS 25 1.765 8.391 9.432 208 HB3 LYS 25 1HB LYS 25 1.699 9.629 8.184 209 HG2 LYS 25 2HG LYS 25 -0.474 10.381 9.071 210 HG3 LYS 25 1HG LYS 25 -0.355 9.167 10.347 211 HD2 LYS 25 2HD LYS 25 0.343 11.331 11.197 212 HD3 LYS 25 1HD LYS 25 1.727 10.237 11.139 213 HE2 LYS 25 2HE LYS 25 2.420 11.268 9.005 214 HE3 LYS 25 1HE LYS 25 1.066 12.393 9.125 215 HZ1 LYS 25 3HZ LYS 25 3.100 13.406 9.900 216 HZ2 LYS 25 1HZ LYS 25 3.329 12.173 11.034 217 HZ3 LYS 25 2HZ LYS 25 2.023 13.233 11.188 218 H LEU 26 H LEU 26 -2.206 8.128 7.903 219 HA LEU 26 HA LEU 26 -2.468 9.423 5.309 220 HB2 LEU 26 2HB LEU 26 -4.565 8.495 7.285 221 HB3 LEU 26 1HB LEU 26 -4.913 9.160 5.701 222 HG LEU 26 HG LEU 26 -5.137 6.792 5.554 223 HD11 LEU 26 1HD1 LEU 26 -4.091 7.838 3.626 224 HD12 LEU 26 2HD1 LEU 26 -3.484 6.200 3.860 225 HD13 LEU 26 3HD1 LEU 26 -2.495 7.584 4.333 226 HD21 LEU 26 3HD2 LEU 26 -2.341 6.530 6.670 227 HD22 LEU 26 1HD2 LEU 26 -3.390 5.214 6.140 228 HD23 LEU 26 2HD2 LEU 26 -3.833 6.182 7.545 229 H ALA 27 H ALA 27 -2.880 11.555 4.985 230 HA ALA 27 HA ALA 27 -2.644 13.433 7.072 231 HB1 ALA 27 3HB ALA 27 -2.066 13.953 4.759 232 HB2 ALA 27 1HB ALA 27 -3.228 15.115 5.399 233 HB3 ALA 27 2HB ALA 27 -3.765 13.842 4.301 234 H ALA 28 H ALA 28 -5.463 11.896 5.669 235 HA ALA 28 HA ALA 28 -7.371 13.631 6.967 236 HB1 ALA 28 3HB ALA 28 -7.911 12.518 4.847 237 HB2 ALA 28 1HB ALA 28 -9.055 12.080 6.117 238 HB3 ALA 28 2HB ALA 28 -7.789 10.947 5.640 239 H PHE 29 H PHE 29 -5.802 10.577 7.684 240 HA PHE 29 HA PHE 29 -6.952 10.639 10.384 241 HB2 PHE 29 2HB PHE 29 -6.731 8.109 8.725 242 HB3 PHE 29 1HB PHE 29 -7.300 8.213 10.385 243 HD1 PHE 29 HD1 PHE 29 -9.415 9.647 10.804 244 HD2 PHE 29 HD2 PHE 29 -8.240 8.218 6.964 245 HE1 PHE 29 HE1 PHE 29 -11.717 9.936 9.995 246 HE2 PHE 29 HE2 PHE 29 -10.547 8.507 6.153 247 HZ PHE 29 HZ PHE 29 -12.288 9.369 7.668 248 HA PRO 30 HA PRO 30 -2.345 10.349 10.574 249 HB2 PRO 30 2HB PRO 30 -2.180 11.433 13.102 250 HB3 PRO 30 1HB PRO 30 -2.209 12.384 11.613 251 HG2 PRO 30 2HG PRO 30 -4.445 11.752 13.501 252 HG3 PRO 30 1HG PRO 30 -4.063 13.283 12.690 253 HD2 PRO 30 2HD PRO 30 -6.023 11.653 11.817 254 HD3 PRO 30 1HD PRO 30 -5.034 12.608 10.693 255 H ASN 31 H ASN 31 -4.734 9.300 12.966 256 HA ASN 31 HA ASN 31 -2.982 6.997 13.572 257 HB2 ASN 31 2HB ASN 31 -4.905 8.354 15.486 258 HB3 ASN 31 1HB ASN 31 -3.939 6.925 15.840 259 HD21 ASN 31 1HD2 ASN 31 -3.853 10.355 15.258 260 HD22 ASN 31 2HD2 ASN 31 -2.278 10.618 15.917 261 H GLN 32 H GLN 32 -4.020 5.845 11.861 262 HA GLN 32 HA GLN 32 -6.694 4.851 12.607 263 HB2 GLN 32 2HB GLN 32 -7.382 4.808 10.266 264 HB3 GLN 32 1HB GLN 32 -6.952 6.437 10.753 265 HG2 GLN 32 2HG GLN 32 -5.876 6.420 8.766 266 HG3 GLN 32 1HG GLN 32 -4.596 5.695 9.734 267 HE21 GLN 32 1HE2 GLN 32 -7.038 5.127 7.333 268 HE22 GLN 32 2HE2 GLN 32 -6.484 3.567 6.851 269 H ASN 33 H ASN 33 -7.198 2.712 11.850 270 HA ASN 33 HA ASN 33 -4.802 1.033 11.641 271 HB2 ASN 33 2HB ASN 33 -7.660 0.290 12.313 272 HB3 ASN 33 1HB ASN 33 -6.303 -0.832 12.274 273 HD21 ASN 33 1HD2 ASN 33 -7.858 1.711 14.025 274 HD22 ASN 33 2HD2 ASN 33 -6.898 1.578 15.451 275 H TYR 34 H TYR 34 -4.258 0.987 9.499 276 HA TYR 34 HA TYR 34 -5.926 0.609 7.295 277 HB2 TYR 34 2HB TYR 34 -3.729 -0.678 6.430 278 HB3 TYR 34 1HB TYR 34 -3.814 1.073 6.568 279 HD1 TYR 34 HD1 TYR 34 -2.588 -1.999 8.287 280 HD2 TYR 34 HD2 TYR 34 -2.393 2.250 8.041 281 HE1 TYR 34 HE1 TYR 34 -0.632 -1.997 9.790 282 HE2 TYR 34 HE2 TYR 34 -0.450 2.255 9.539 283 HH TYR 34 HH TYR 34 0.680 0.966 11.079 284 H ASP 35 H ASP 35 -5.318 -1.535 9.834 285 HA ASP 35 HA ASP 35 -6.013 -3.952 8.363 286 HB2 ASP 35 2HB ASP 35 -4.263 -3.840 10.201 287 HB3 ASP 35 1HB ASP 35 -5.579 -3.598 11.343 288 H GLN 36 H GLN 36 -7.836 -1.476 9.138 289 HA GLN 36 HA GLN 36 -10.190 -3.063 9.886 290 HB2 GLN 36 2HB GLN 36 -9.292 -0.560 11.339 291 HB3 GLN 36 1HB GLN 36 -10.890 -1.275 11.514 292 HG2 GLN 36 2HG GLN 36 -8.294 -2.660 12.174 293 HG3 GLN 36 1HG GLN 36 -9.347 -1.868 13.346 294 HE21 GLN 36 1HE2 GLN 36 -8.492 -4.691 13.015 295 HE22 GLN 36 2HE2 GLN 36 -9.955 -5.601 12.963 296 H LEU 37 H LEU 37 -8.988 0.120 8.823 297 HA LEU 37 HA LEU 37 -11.453 1.223 8.074 298 HB2 LEU 37 2HB LEU 37 -8.617 1.794 7.304 299 HB3 LEU 37 1HB LEU 37 -9.912 2.585 6.427 300 HG LEU 37 HG LEU 37 -9.055 4.035 8.186 301 HD11 LEU 37 1HD1 LEU 37 -11.140 4.594 9.288 302 HD12 LEU 37 2HD1 LEU 37 -11.813 3.020 8.863 303 HD13 LEU 37 3HD1 LEU 37 -11.429 4.188 7.597 304 HD21 LEU 37 3HD2 LEU 37 -9.343 3.470 10.558 305 HD22 LEU 37 1HD2 LEU 37 -8.235 2.362 9.748 306 HD23 LEU 37 2HD2 LEU 37 -9.885 1.854 10.104 307 H LEU 38 H LEU 38 -12.723 1.101 6.344 308 HA LEU 38 HA LEU 38 -12.591 -1.036 4.538 309 HB2 LEU 38 2HB LEU 38 -14.126 1.554 4.239 310 HB3 LEU 38 1HB LEU 38 -14.456 0.060 3.381 311 HG LEU 38 HG LEU 38 -14.724 0.460 6.369 312 HD11 LEU 38 1HD1 LEU 38 -16.435 1.672 5.129 313 HD12 LEU 38 2HD1 LEU 38 -17.129 0.288 5.970 314 HD13 LEU 38 3HD1 LEU 38 -16.842 0.209 4.231 315 HD21 LEU 38 3HD2 LEU 38 -15.779 -1.755 6.360 316 HD22 LEU 38 1HD2 LEU 38 -14.105 -1.834 5.813 317 HD23 LEU 38 2HD2 LEU 38 -15.419 -1.921 4.640 318 HA PRO 39 HA PRO 39 -9.738 -0.126 1.306 319 HB2 PRO 39 2HB PRO 39 -12.105 -0.538 -0.494 320 HB3 PRO 39 1HB PRO 39 -10.463 -1.178 -0.637 321 HG2 PRO 39 2HG PRO 39 -12.412 -2.718 0.306 322 HG3 PRO 39 1HG PRO 39 -10.797 -2.769 1.038 323 HD2 PRO 39 2HD PRO 39 -13.309 -1.551 2.077 324 HD3 PRO 39 1HD PRO 39 -11.945 -2.260 2.964 325 H SER 40 H SER 40 -12.951 1.339 0.609 326 HA SER 40 HA SER 40 -11.867 3.393 -1.038 327 HB2 SER 40 2HB SER 40 -14.189 2.685 -1.289 328 HB3 SER 40 1HB SER 40 -14.563 3.263 0.333 329 HG SER 40 HG SER 40 -14.164 4.685 -2.026 330 H GLN 41 H GLN 41 -12.578 3.235 2.416 331 HA GLN 41 HA GLN 41 -12.480 5.950 3.061 332 HB2 GLN 41 2HB GLN 41 -11.478 3.592 4.680 333 HB3 GLN 41 1HB GLN 41 -11.719 5.211 5.319 334 HG2 GLN 41 2HG GLN 41 -13.857 3.390 4.218 335 HG3 GLN 41 1HG GLN 41 -13.566 3.763 5.917 336 HE21 GLN 41 1HE2 GLN 41 -14.854 4.925 2.913 337 HE22 GLN 41 2HE2 GLN 41 -15.636 6.321 3.561 338 H ILE 42 H ILE 42 -9.788 3.608 2.929 339 HA ILE 42 HA ILE 42 -7.759 5.533 3.487 340 HB ILE 42 HB ILE 42 -7.404 2.880 2.068 341 HG12 ILE 42 2HG1 ILE 42 -7.358 3.471 5.046 342 HG13 ILE 42 1HG1 ILE 42 -8.629 2.590 4.204 343 HG21 ILE 42 1HG2 ILE 42 -5.132 2.975 2.986 344 HG22 ILE 42 2HG2 ILE 42 -5.486 4.544 3.710 345 HG23 ILE 42 3HG2 ILE 42 -5.462 4.367 1.955 346 HD11 ILE 42 3HD1 ILE 42 -7.139 1.077 5.367 347 HD12 ILE 42 1HD1 ILE 42 -5.758 1.723 4.479 348 HD13 ILE 42 2HD1 ILE 42 -7.023 0.840 3.621 349 H TYR 43 H TYR 43 -9.045 4.137 0.496 350 HA TYR 43 HA TYR 43 -7.348 5.263 -1.397 351 HB2 TYR 43 2HB TYR 43 -9.068 3.591 -1.934 352 HB3 TYR 43 1HB TYR 43 -10.334 4.763 -1.598 353 HD1 TYR 43 HD1 TYR 43 -7.685 3.792 -3.971 354 HD2 TYR 43 HD2 TYR 43 -10.925 6.458 -3.224 355 HE1 TYR 43 HE1 TYR 43 -7.665 4.475 -6.331 356 HE2 TYR 43 HE2 TYR 43 -10.908 7.149 -5.583 357 HH TYR 43 HH TYR 43 -9.191 5.446 -7.979 358 H LYS 44 H LYS 44 -10.077 6.730 0.300 359 HA LYS 44 HA LYS 44 -10.043 9.118 -1.309 360 HB2 LYS 44 2HB LYS 44 -11.565 8.368 1.185 361 HB3 LYS 44 1HB LYS 44 -11.720 9.940 0.408 362 HG2 LYS 44 2HG LYS 44 -12.327 7.275 -0.877 363 HG3 LYS 44 1HG LYS 44 -13.516 8.430 -0.268 364 HD2 LYS 44 2HD LYS 44 -12.861 10.066 -1.906 365 HD3 LYS 44 1HD LYS 44 -11.508 9.067 -2.437 366 HE2 LYS 44 2HE LYS 44 -13.076 7.378 -3.264 367 HE3 LYS 44 1HE LYS 44 -14.433 8.358 -2.705 368 HZ1 LYS 44 3HZ LYS 44 -13.946 8.587 -5.102 369 HZ2 LYS 44 1HZ LYS 44 -12.448 9.277 -4.718 370 HZ3 LYS 44 2HZ LYS 44 -13.882 10.051 -4.263 371 H ASN 45 H ASN 45 -8.034 8.108 1.170 372 HA ASN 45 HA ASN 45 -7.656 10.673 2.432 373 HB2 ASN 45 2HB ASN 45 -5.926 8.192 2.538 374 HB3 ASN 45 1HB ASN 45 -5.749 9.607 3.570 375 HD21 ASN 45 1HD2 ASN 45 -8.722 9.917 3.735 376 HD22 ASN 45 2HD2 ASN 45 -9.226 8.689 4.834 377 H TYR 46 H TYR 46 -6.430 9.177 -0.436 378 HA TYR 46 HA TYR 46 -3.944 10.419 -0.751 379 HB2 TYR 46 2HB TYR 46 -6.013 9.542 -2.763 380 HB3 TYR 46 1HB TYR 46 -4.500 10.286 -3.270 381 HD1 TYR 46 HD2 TYR 46 -2.342 9.154 -2.786 382 HD2 TYR 46 HD1 TYR 46 -6.082 7.261 -2.040 383 HE1 TYR 46 HE2 TYR 46 -1.214 6.973 -2.683 384 HE2 TYR 46 HE1 TYR 46 -4.963 5.078 -1.939 385 HH TYR 46 HH TYR 46 -1.630 4.734 -1.679 386 H TYR 47 H TYR 47 -7.148 11.736 -1.150 387 HA TYR 47 HA TYR 47 -6.499 13.970 -2.760 388 HB2 TYR 47 2HB TYR 47 -8.795 13.656 -0.806 389 HB3 TYR 47 1HB TYR 47 -8.696 14.843 -2.104 390 HD1 TYR 47 HD1 TYR 47 -8.653 11.153 -1.536 391 HD2 TYR 47 HD2 TYR 47 -9.650 14.326 -4.193 392 HE1 TYR 47 HE1 TYR 47 -9.727 9.542 -3.039 393 HE2 TYR 47 HE2 TYR 47 -10.730 12.713 -5.709 394 HH TYR 47 HH TYR 47 -10.552 10.217 -6.188 395 H GLN 48 H GLN 48 -5.748 13.321 0.463 396 HA GLN 48 HA GLN 48 -5.281 16.175 1.048 397 HB2 GLN 48 2HB GLN 48 -5.555 13.827 2.938 398 HB3 GLN 48 1HB GLN 48 -5.138 15.462 3.435 399 HG2 GLN 48 2HG GLN 48 -7.708 14.630 2.095 400 HG3 GLN 48 1HG GLN 48 -7.501 14.984 3.810 401 HE21 GLN 48 1HE2 GLN 48 -9.196 16.267 1.754 402 HE22 GLN 48 2HE2 GLN 48 -8.775 17.938 1.801 403 H GLY 49 H GLY 49 -3.786 12.961 1.640 404 HA2 GLY 49 2HA GLY 49 -1.364 13.220 0.531 405 HA3 GLY 49 1HA GLY 49 -1.168 14.213 1.966 406 H ILE 50 H ILE 50 0.385 11.914 1.402 407 HA ILE 50 HA ILE 50 -0.299 10.266 3.746 408 HB ILE 50 HB ILE 50 0.567 9.120 1.075 409 HG12 ILE 50 2HG1 ILE 50 -2.032 8.847 2.615 410 HG13 ILE 50 1HG1 ILE 50 -1.812 9.714 1.099 411 HG21 ILE 50 1HG2 ILE 50 1.607 7.924 2.930 412 HG22 ILE 50 2HG2 ILE 50 0.375 6.925 2.160 413 HG23 ILE 50 3HG2 ILE 50 0.033 7.719 3.699 414 HD11 ILE 50 3HD1 ILE 50 -1.279 7.601 -0.017 415 HD12 ILE 50 1HD1 ILE 50 -2.873 7.572 0.732 416 HD13 ILE 50 2HD1 ILE 50 -1.523 6.741 1.504 417 H GLU 51 H GLU 51 1.383 9.969 5.079 418 HA GLU 51 HA GLU 51 4.062 10.825 4.237 419 HB2 GLU 51 2HB GLU 51 2.903 10.233 6.971 420 HB3 GLU 51 1HB GLU 51 4.564 10.729 6.689 421 HG2 GLU 51 2HG GLU 51 2.149 12.369 5.946 422 HG3 GLU 51 1HG GLU 51 3.065 12.556 7.440 423 H ILE 52 H ILE 52 5.826 9.469 4.171 424 HA ILE 52 HA ILE 52 5.335 6.604 4.678 425 HB ILE 52 HB ILE 52 7.523 7.889 3.017 426 HG12 ILE 52 2HG1 ILE 52 5.381 8.119 1.892 427 HG13 ILE 52 1HG1 ILE 52 6.321 6.872 1.087 428 HG21 ILE 52 1HG2 ILE 52 8.016 5.592 2.264 429 HG22 ILE 52 2HG2 ILE 52 6.835 4.972 3.419 430 HG23 ILE 52 3HG2 ILE 52 8.283 5.798 3.996 431 HD11 ILE 52 3HD1 ILE 52 4.075 6.399 3.037 432 HD12 ILE 52 1HD1 ILE 52 5.019 5.150 2.222 433 HD13 ILE 52 2HD1 ILE 52 3.992 6.232 1.284 434 H GLN 53 H GLN 53 5.867 6.226 6.792 435 HA GLN 53 HA GLN 53 8.289 7.351 7.963 436 HB2 GLN 53 2HB GLN 53 6.134 7.064 9.243 437 HB3 GLN 53 1HB GLN 53 6.379 5.328 9.161 438 HG2 GLN 53 2HG GLN 53 7.079 6.157 11.311 439 HG3 GLN 53 1HG GLN 53 8.483 5.581 10.413 440 HE21 GLN 53 1HE2 GLN 53 10.012 7.054 9.718 441 HE22 GLN 53 2HE2 GLN 53 10.057 8.682 10.285 442 H GLN 54 H GLN 54 10.106 6.432 7.133 443 HA GLN 54 HA GLN 54 10.258 3.797 6.139 444 HB2 GLN 54 2HB GLN 54 12.641 4.185 5.871 445 HB3 GLN 54 1HB GLN 54 11.727 5.585 5.337 446 HG2 GLN 54 2HG GLN 54 13.060 5.387 8.034 447 HG3 GLN 54 1HG GLN 54 13.829 6.078 6.609 448 HE21 GLN 54 1HE2 GLN 54 13.031 8.052 5.786 449 HE22 GLN 54 2HE2 GLN 54 12.065 9.100 6.763 450 H HIS 55 H HIS 55 11.019 1.895 6.951 451 HA HIS 55 HA HIS 55 12.236 1.823 9.622 452 HB2 HIS 55 2HB HIS 55 9.770 1.495 9.876 453 HB3 HIS 55 1HB HIS 55 9.880 0.077 8.841 454 HD1 HIS 55 HD1 HIS 55 11.129 1.323 12.200 455 HD2 HIS 55 HD2 HIS 55 10.476 -2.247 10.175 456 HE1 HIS 55 HE1 HIS 55 11.480 -0.485 13.897 457 HE2 HIS 55 HE2 HIS 55 10.863 -2.609 12.704 458 H LYS 56 H LYS 56 12.908 1.243 6.654 459 HA LYS 56 HA LYS 56 14.490 -1.158 7.203 460 HB2 LYS 56 2HB LYS 56 12.353 -0.971 5.145 461 HB3 LYS 56 1HB LYS 56 13.864 -1.683 4.608 462 HG2 LYS 56 2HG LYS 56 13.662 -3.248 6.614 463 HG3 LYS 56 1HG LYS 56 11.998 -2.667 6.751 464 HD2 LYS 56 2HD LYS 56 11.581 -3.369 4.421 465 HD3 LYS 56 1HD LYS 56 13.236 -3.968 4.313 466 HE2 LYS 56 2HE LYS 56 11.074 -4.991 6.157 467 HE3 LYS 56 1HE LYS 56 11.688 -5.796 4.715 468 HZ1 LYS 56 3HZ LYS 56 13.895 -5.849 5.826 469 HZ2 LYS 56 1HZ LYS 56 12.710 -6.772 6.606 470 HZ3 LYS 56 2HZ LYS 56 13.158 -5.272 7.235 471 H TYR 57 H TYR 57 15.648 -1.521 4.742 472 HA TYR 57 HA TYR 57 17.575 0.483 4.492 473 HB2 TYR 57 2HB TYR 57 16.687 -1.633 2.515 474 HB3 TYR 57 1HB TYR 57 18.087 -0.596 2.265 475 HD1 TYR 57 HD2 TYR 57 16.707 -2.890 4.892 476 HD2 TYR 57 HD1 TYR 57 20.151 -1.440 2.860 477 HE1 TYR 57 HE2 TYR 57 18.103 -4.492 6.130 478 HE2 TYR 57 HE1 TYR 57 21.557 -3.035 4.092 479 HH TYR 57 HH TYR 57 21.515 -4.320 6.158 480 H GLN 58 H GLN 58 16.428 2.497 4.382 481 HA GLN 58 HA GLN 58 15.046 2.994 1.819 482 HB2 GLN 58 2HB GLN 58 14.666 4.234 4.540 483 HB3 GLN 58 1HB GLN 58 13.985 4.935 3.073 484 HG2 GLN 58 2HG GLN 58 13.455 2.127 4.034 485 HG3 GLN 58 1HG GLN 58 12.396 3.505 4.324 486 HE21 GLN 58 1HE2 GLN 58 13.671 1.341 1.896 487 HE22 GLN 58 2HE2 GLN 58 12.496 1.711 0.690 488 H ASN 59 H ASN 59 17.997 3.339 2.842 489 HA ASN 59 HA ASN 59 18.347 5.958 1.521 490 HB2 ASN 59 2HB ASN 59 19.465 5.634 3.742 491 HB3 ASN 59 1HB ASN 59 20.410 4.325 3.040 492 HD21 ASN 59 1HD2 ASN 59 19.816 7.761 2.990 493 HD22 ASN 59 2HD2 ASN 59 21.304 8.200 2.236 494 H GLU 60 H GLU 60 18.483 2.619 1.097 495 HA GLU 60 HA GLU 60 20.325 2.593 -1.146 496 HB2 GLU 60 2HB GLU 60 20.054 0.701 0.519 497 HB3 GLU 60 1HB GLU 60 18.479 0.388 -0.191 498 HG2 GLU 60 2HG GLU 60 20.007 -1.156 -1.140 499 HG3 GLU 60 1HG GLU 60 19.625 0.031 -2.387 500 H LEU 61 H LEU 61 16.826 2.211 -0.604 501 HA LEU 61 HA LEU 61 16.337 3.061 -3.371 502 HB2 LEU 61 2HB LEU 61 14.553 1.416 -3.660 503 HB3 LEU 61 1HB LEU 61 16.098 0.633 -3.402 504 HG LEU 61 HG LEU 61 14.116 0.994 -1.148 505 HD11 LEU 61 1HD1 LEU 61 13.320 -1.274 -1.577 506 HD12 LEU 61 2HD1 LEU 61 14.316 -1.363 -3.030 507 HD13 LEU 61 3HD1 LEU 61 12.977 -0.218 -2.946 508 HD21 LEU 61 3HD2 LEU 61 16.368 -0.981 -1.574 509 HD22 LEU 61 1HD2 LEU 61 15.324 -0.879 -0.156 510 HD23 LEU 61 2HD2 LEU 61 16.434 0.439 -0.531 511 H ASP 62 H ASP 62 14.445 4.232 -3.691 512 HA ASP 62 HA ASP 62 13.244 5.353 -1.257 513 HB2 ASP 62 2HB ASP 62 14.277 6.894 -2.893 514 HB3 ASP 62 1HB ASP 62 13.156 6.333 -4.124 515 H ILE 63 H ILE 63 11.056 5.277 -0.828 516 HA ILE 63 HA ILE 63 9.403 3.610 -2.628 517 HB ILE 63 HB ILE 63 9.327 3.838 0.386 518 HG12 ILE 63 2HG1 ILE 63 9.902 1.503 -1.461 519 HG13 ILE 63 1HG1 ILE 63 11.077 2.356 -0.466 520 HG21 ILE 63 1HG2 ILE 63 7.430 2.332 -1.419 521 HG22 ILE 63 2HG2 ILE 63 7.042 3.755 -0.453 522 HG23 ILE 63 3HG2 ILE 63 7.463 2.239 0.342 523 HD11 ILE 63 3HD1 ILE 63 8.769 0.696 0.535 524 HD12 ILE 63 1HD1 ILE 63 9.918 1.572 1.546 525 HD13 ILE 63 2HD1 ILE 63 10.473 0.240 0.534 526 H LYS 64 H LYS 64 7.897 4.793 -3.667 527 HA LYS 64 HA LYS 64 6.360 6.787 -2.100 528 HB2 LYS 64 2HB LYS 64 6.752 6.832 -5.103 529 HB3 LYS 64 1HB LYS 64 5.989 8.066 -4.113 530 HG2 LYS 64 2HG LYS 64 8.183 8.484 -3.029 531 HG3 LYS 64 1HG LYS 64 8.910 7.327 -4.147 532 HD2 LYS 64 2HD LYS 64 8.066 8.735 -6.038 533 HD3 LYS 64 1HD LYS 64 7.535 9.926 -4.849 534 HE2 LYS 64 2HE LYS 64 10.352 9.044 -5.463 535 HE3 LYS 64 1HE LYS 64 9.650 10.648 -5.672 536 HZ1 LYS 64 3HZ LYS 64 9.353 10.658 -3.189 537 HZ2 LYS 64 1HZ LYS 64 10.954 10.722 -3.731 538 HZ3 LYS 64 2HZ LYS 64 10.324 9.271 -3.137 539 H ILE 65 H ILE 65 4.268 6.227 -1.802 540 HA ILE 65 HA ILE 65 3.117 4.005 -3.252 541 HB ILE 65 HB ILE 65 1.816 5.814 -1.198 542 HG12 ILE 65 2HG1 ILE 65 3.104 3.083 -0.886 543 HG13 ILE 65 1HG1 ILE 65 3.733 4.599 -0.254 544 HG21 ILE 65 1HG2 ILE 65 0.159 3.993 -0.982 545 HG22 ILE 65 2HG2 ILE 65 0.937 3.145 -2.320 546 HG23 ILE 65 3HG2 ILE 65 0.164 4.706 -2.595 547 HD11 ILE 65 3HD1 ILE 65 1.177 3.250 0.582 548 HD12 ILE 65 1HD1 ILE 65 1.761 4.798 1.193 549 HD13 ILE 65 2HD1 ILE 65 2.680 3.323 1.499 550 H ILE 66 H ILE 66 2.181 4.229 -5.170 551 HA ILE 66 HA ILE 66 1.349 6.774 -6.217 552 HB ILE 66 HB ILE 66 0.917 4.013 -7.390 553 HG12 ILE 66 2HG1 ILE 66 3.174 5.976 -7.917 554 HG13 ILE 66 1HG1 ILE 66 3.319 4.519 -6.939 555 HG21 ILE 66 1HG2 ILE 66 -0.518 5.721 -8.386 556 HG22 ILE 66 2HG2 ILE 66 0.719 5.204 -9.531 557 HG23 ILE 66 3HG2 ILE 66 0.887 6.745 -8.689 558 HD11 ILE 66 3HD1 ILE 66 4.216 4.226 -9.191 559 HD12 ILE 66 1HD1 ILE 66 2.631 4.590 -9.869 560 HD13 ILE 66 2HD1 ILE 66 2.857 3.145 -8.882 561 H ASN 67 H ASN 67 -0.447 3.693 -5.748 562 HA ASN 67 HA ASN 67 -2.666 4.948 -4.493 563 HB2 ASN 67 2HB ASN 67 -3.031 5.800 -6.779 564 HB3 ASN 67 1HB ASN 67 -3.068 4.149 -7.387 565 HD21 ASN 67 1HD2 ASN 67 -4.897 2.919 -7.081 566 HD22 ASN 67 2HD2 ASN 67 -6.367 3.558 -6.448 567 H PHE 68 H PHE 68 -4.215 3.459 -3.707 568 HA PHE 68 HA PHE 68 -3.531 0.633 -3.830 569 HB2 PHE 68 2HB PHE 68 -5.870 2.018 -2.475 570 HB3 PHE 68 1HB PHE 68 -5.430 0.328 -2.273 571 HD1 PHE 68 HD2 PHE 68 -3.154 -0.194 -1.230 572 HD2 PHE 68 HD1 PHE 68 -4.956 3.660 -1.092 573 HE1 PHE 68 HE2 PHE 68 -1.725 0.406 0.681 574 HE2 PHE 68 HE1 PHE 68 -3.527 4.262 0.816 575 HZ PHE 68 HZ PHE 68 -1.908 2.636 1.705 576 H LEU 69 H LEU 69 -4.405 -0.802 -5.254 577 HA LEU 69 HA LEU 69 -6.989 -0.116 -6.510 578 HB2 LEU 69 2HB LEU 69 -6.242 -1.151 -8.609 579 HB3 LEU 69 1HB LEU 69 -5.303 0.263 -8.183 580 HG LEU 69 HG LEU 69 -4.289 -2.510 -7.570 581 HD11 LEU 69 1HD1 LEU 69 -3.903 -0.965 -10.138 582 HD12 LEU 69 2HD1 LEU 69 -4.801 -2.472 -9.957 583 HD13 LEU 69 3HD1 LEU 69 -3.057 -2.448 -9.691 584 HD21 LEU 69 3HD2 LEU 69 -2.109 -1.416 -7.657 585 HD22 LEU 69 1HD2 LEU 69 -3.156 -0.607 -6.494 586 HD23 LEU 69 2HD2 LEU 69 -2.876 0.116 -8.077 587 H TYR 70 H TYR 70 -8.254 -1.945 -7.292 588 HA TYR 70 HA TYR 70 -8.341 -4.014 -5.309 589 HB2 TYR 70 2HB TYR 70 -9.958 -3.767 -7.860 590 HB3 TYR 70 1HB TYR 70 -10.344 -4.789 -6.479 591 HD1 TYR 70 HD1 TYR 70 -10.190 -3.231 -4.153 592 HD2 TYR 70 HD2 TYR 70 -11.372 -1.952 -8.038 593 HE1 TYR 70 HE1 TYR 70 -11.472 -1.389 -3.152 594 HE2 TYR 70 HE2 TYR 70 -12.654 -0.103 -7.047 595 HH TYR 70 HH TYR 70 -12.323 0.817 -3.793 596 HA PRO 71 HA PRO 71 -5.700 -7.026 -7.163 597 HB2 PRO 71 2HB PRO 71 -6.943 -9.334 -6.273 598 HB3 PRO 71 1HB PRO 71 -5.835 -8.352 -5.312 599 HG2 PRO 71 2HG PRO 71 -8.832 -8.363 -5.330 600 HG3 PRO 71 1HG PRO 71 -7.720 -8.257 -3.951 601 HD2 PRO 71 2HD PRO 71 -8.972 -6.087 -4.909 602 HD3 PRO 71 1HD PRO 71 -7.303 -5.995 -4.304 603 H ASP 72 H ASP 72 -9.055 -8.277 -7.330 604 HA ASP 72 HA ASP 72 -8.594 -9.364 -9.973 605 HB2 ASP 72 2HB ASP 72 -11.203 -9.243 -8.447 606 HB3 ASP 72 1HB ASP 72 -10.775 -10.341 -9.756 607 H GLY 73 H GLY 73 -9.229 -6.300 -8.993 608 HA2 GLY 73 2HA GLY 73 -9.834 -4.450 -10.286 609 HA3 GLY 73 1HA GLY 73 -10.454 -5.536 -11.520 610 H ASP 74 H ASP 74 -12.268 -7.033 -10.070 611 HA ASP 74 HA ASP 74 -14.568 -5.450 -10.009 612 HB2 ASP 74 2HB ASP 74 -14.037 -8.130 -8.699 613 HB3 ASP 74 1HB ASP 74 -15.634 -7.407 -8.872 614 H PHE 75 H PHE 75 -15.407 -4.102 -8.548 615 HA PHE 75 HA PHE 75 -14.183 -3.349 -6.158 616 HB2 PHE 75 2HB PHE 75 -16.345 -2.201 -5.654 617 HB3 PHE 75 1HB PHE 75 -15.758 -1.887 -7.285 618 HD1 PHE 75 HD1 PHE 75 -16.835 -3.009 -9.224 619 HD2 PHE 75 HD2 PHE 75 -18.426 -3.324 -5.285 620 HE1 PHE 75 HE1 PHE 75 -18.973 -3.788 -10.152 621 HE2 PHE 75 HE2 PHE 75 -20.562 -4.104 -6.213 622 HZ PHE 75 HZ PHE 75 -20.841 -4.339 -8.647 623 H GLY 76 H GLY 76 -16.734 -5.732 -6.741 624 HA2 GLY 76 2HA GLY 76 -17.376 -6.236 -4.020 625 HA3 GLY 76 1HA GLY 76 -17.744 -7.286 -5.378 626 H SER 77 H SER 77 -15.306 -8.032 -6.301 627 HA SER 77 HA SER 77 -14.671 -10.195 -4.679 628 HB2 SER 77 2HB SER 77 -14.166 -10.123 -7.086 629 HB3 SER 77 1HB SER 77 -12.907 -8.923 -6.790 630 HG SER 77 HG SER 77 -11.627 -10.430 -5.956 631 H ALA 78 H ALA 78 -13.405 -6.960 -4.510 632 HA ALA 78 HA ALA 78 -11.006 -7.504 -3.104 633 HB1 ALA 78 3HB ALA 78 -11.439 -5.352 -4.185 634 HB2 ALA 78 1HB ALA 78 -11.050 -5.142 -2.478 635 HB3 ALA 78 2HB ALA 78 -12.723 -5.019 -3.022 636 H ASN 79 H ASN 79 -14.334 -7.283 -2.074 637 HA ASN 79 HA ASN 79 -13.785 -6.811 0.706 638 HB2 ASN 79 2HB ASN 79 -16.355 -7.659 -0.651 639 HB3 ASN 79 1HB ASN 79 -16.212 -7.099 1.012 640 HD21 ASN 79 1HD2 ASN 79 -16.089 -6.180 -2.332 641 HD22 ASN 79 2HD2 ASN 79 -16.176 -4.477 -2.072 642 H LYS 80 H LYS 80 -14.605 -9.700 -1.205 643 HA LYS 80 HA LYS 80 -15.363 -11.469 0.747 644 HB2 LYS 80 2HB LYS 80 -14.596 -13.276 -0.690 645 HB3 LYS 80 1HB LYS 80 -15.319 -12.002 -1.665 646 HG2 LYS 80 2HG LYS 80 -13.110 -11.189 -2.280 647 HG3 LYS 80 1HG LYS 80 -12.360 -12.406 -1.256 648 HD2 LYS 80 2HD LYS 80 -12.280 -13.112 -3.573 649 HD3 LYS 80 1HD LYS 80 -13.342 -14.178 -2.653 650 HE2 LYS 80 2HE LYS 80 -15.297 -13.057 -3.544 651 HE3 LYS 80 1HE LYS 80 -14.276 -11.879 -4.373 652 HZ1 LYS 80 3HZ LYS 80 -15.077 -13.653 -5.847 653 HZ2 LYS 80 1HZ LYS 80 -14.263 -14.799 -4.910 654 HZ3 LYS 80 2HZ LYS 80 -13.391 -13.621 -5.753 655 H ASN 81 H ASN 81 -12.007 -10.733 -0.195 656 HA ASN 81 HA ASN 81 -11.076 -12.139 2.225 657 HB2 ASN 81 2HB ASN 81 -9.672 -11.676 -0.415 658 HB3 ASN 81 1HB ASN 81 -8.863 -12.297 1.019 659 HD21 ASN 81 1HD2 ASN 81 -8.371 -14.242 -0.018 660 HD22 ASN 81 2HD2 ASN 81 -9.571 -15.437 -0.342 661 H GLY 82 H GLY 82 -11.628 -9.093 1.079 662 HA2 GLY 82 2HA GLY 82 -10.953 -6.991 1.697 663 HA3 GLY 82 1HA GLY 82 -10.440 -7.741 3.196 664 H THR 83 H THR 83 -9.291 -7.651 -0.194 665 HA THR 83 HA THR 83 -6.583 -7.070 0.850 666 HB THR 83 HB THR 83 -5.638 -8.380 -1.034 667 HG1 THR 83 HG1 THR 83 -7.148 -9.840 -2.109 668 HG21 THR 83 3HG2 THR 83 -7.528 -9.951 0.733 669 HG22 THR 83 1HG2 THR 83 -5.898 -9.434 1.165 670 HG23 THR 83 2HG2 THR 83 -6.137 -10.607 -0.129 671 H LEU 84 H LEU 84 -5.292 -5.656 -0.275 672 HA LEU 84 HA LEU 84 -6.372 -4.400 -2.711 673 HB2 LEU 84 2HB LEU 84 -5.343 -2.947 -0.266 674 HB3 LEU 84 1HB LEU 84 -5.578 -2.176 -1.823 675 HG LEU 84 HG LEU 84 -7.755 -3.426 -0.135 676 HD11 LEU 84 1HD1 LEU 84 -7.145 -0.528 -0.722 677 HD12 LEU 84 2HD1 LEU 84 -6.881 -1.351 0.817 678 HD13 LEU 84 3HD1 LEU 84 -8.519 -1.137 0.203 679 HD21 LEU 84 3HD2 LEU 84 -8.242 -3.626 -2.521 680 HD22 LEU 84 1HD2 LEU 84 -7.935 -1.901 -2.741 681 HD23 LEU 84 2HD2 LEU 84 -9.301 -2.439 -1.761 682 H LYS 85 H LYS 85 -4.833 -3.692 -4.184 683 HA LYS 85 HA LYS 85 -2.123 -4.693 -3.760 684 HB2 LYS 85 2HB LYS 85 -3.553 -3.624 -6.197 685 HB3 LYS 85 1HB LYS 85 -1.831 -3.985 -6.193 686 HG2 LYS 85 2HG LYS 85 -2.347 -6.326 -5.610 687 HG3 LYS 85 1HG LYS 85 -4.070 -5.948 -5.697 688 HD2 LYS 85 2HD LYS 85 -3.852 -5.367 -8.052 689 HD3 LYS 85 1HD LYS 85 -2.110 -5.633 -7.982 690 HE2 LYS 85 2HE LYS 85 -4.218 -7.740 -7.503 691 HE3 LYS 85 1HE LYS 85 -3.320 -7.526 -9.002 692 HZ1 LYS 85 3HZ LYS 85 -2.372 -9.274 -7.649 693 HZ2 LYS 85 1HZ LYS 85 -2.141 -8.201 -6.364 694 HZ3 LYS 85 2HZ LYS 85 -1.280 -7.993 -7.800 695 H LEU 86 H LEU 86 -0.738 -3.381 -2.777 696 HA LEU 86 HA LEU 86 -0.857 -0.518 -2.923 697 HB2 LEU 86 2HB LEU 86 1.155 -2.464 -1.792 698 HB3 LEU 86 1HB LEU 86 1.445 -0.737 -1.801 699 HG LEU 86 HG LEU 86 -0.568 -0.402 -0.403 700 HD11 LEU 86 1HD1 LEU 86 -0.674 -3.415 -0.303 701 HD12 LEU 86 2HD1 LEU 86 -1.866 -2.349 -1.049 702 HD13 LEU 86 3HD1 LEU 86 -1.624 -2.315 0.697 703 HD21 LEU 86 3HD2 LEU 86 0.382 -1.288 1.673 704 HD22 LEU 86 1HD2 LEU 86 1.625 -0.579 0.641 705 HD23 LEU 86 2HD2 LEU 86 1.453 -2.332 0.739 706 H SER 87 H SER 87 -0.430 0.412 -4.872 707 HA SER 87 HA SER 87 1.662 -0.597 -6.612 708 HB2 SER 87 2HB SER 87 -0.363 0.353 -7.612 709 HB3 SER 87 1HB SER 87 -0.042 1.904 -6.835 710 HG SER 87 HG SER 87 1.026 0.831 -9.119 711 H LEU 88 H LEU 88 3.676 -0.317 -5.782 712 HA LEU 88 HA LEU 88 4.439 2.357 -4.795 713 HB2 LEU 88 2HB LEU 88 5.509 -0.398 -4.280 714 HB3 LEU 88 1HB LEU 88 6.553 0.989 -4.053 715 HG LEU 88 HG LEU 88 4.998 1.897 -2.374 716 HD11 LEU 88 1HD1 LEU 88 3.161 0.548 -1.522 717 HD12 LEU 88 2HD1 LEU 88 3.462 -0.669 -2.764 718 HD13 LEU 88 3HD1 LEU 88 2.916 0.945 -3.222 719 HD21 LEU 88 3HD2 LEU 88 5.461 0.278 -0.618 720 HD22 LEU 88 1HD2 LEU 88 6.855 0.462 -1.682 721 HD23 LEU 88 2HD2 LEU 88 5.818 -0.957 -1.828 722 H MET 89 H MET 89 5.801 3.611 -5.936 723 HA MET 89 HA MET 89 7.287 2.408 -8.172 724 HB2 MET 89 2HB MET 89 7.687 4.750 -8.912 725 HB3 MET 89 1HB MET 89 5.988 4.315 -8.848 726 HG2 MET 89 2HG MET 89 5.757 5.501 -6.724 727 HG3 MET 89 1HG MET 89 7.466 5.936 -6.782 728 HE1 MET 89 3HE MET 89 8.524 7.539 -8.638 729 HE2 MET 89 1HE MET 89 7.587 8.274 -9.938 730 HE3 MET 89 2HE MET 89 7.848 6.529 -9.917 731 H LEU 90 H LEU 90 9.167 1.610 -7.518 732 HA LEU 90 HA LEU 90 10.639 2.781 -5.313 733 HB2 LEU 90 2HB LEU 90 11.270 0.383 -7.051 734 HB3 LEU 90 1HB LEU 90 12.185 0.867 -5.637 735 HG LEU 90 HG LEU 90 10.820 -0.945 -4.963 736 HD11 LEU 90 1HD1 LEU 90 9.491 1.598 -4.043 737 HD12 LEU 90 2HD1 LEU 90 10.920 0.842 -3.334 738 HD13 LEU 90 3HD1 LEU 90 9.361 0.023 -3.261 739 HD21 LEU 90 3HD2 LEU 90 8.396 -1.032 -5.269 740 HD22 LEU 90 1HD2 LEU 90 9.238 -0.948 -6.816 741 HD23 LEU 90 2HD2 LEU 90 8.448 0.488 -6.162 742 H THR 91 H THR 91 12.209 4.236 -5.516 743 HA THR 91 HA THR 91 13.473 4.598 -8.167 744 HB THR 91 HB THR 91 13.392 6.580 -5.874 745 HG1 THR 91 HG1 THR 91 11.319 6.150 -6.898 746 HG21 THR 91 3HG2 THR 91 14.141 8.199 -7.561 747 HG22 THR 91 1HG2 THR 91 14.219 6.914 -8.767 748 HG23 THR 91 2HG2 THR 91 15.309 6.891 -7.381 749 H ASP 92 H ASP 92 15.400 3.655 -8.325 750 HA ASP 92 HA ASP 92 16.960 2.883 -6.058 751 HB2 ASP 92 2HB ASP 92 17.001 1.488 -8.007 752 HB3 ASP 92 1HB ASP 92 17.504 2.828 -9.032 753 H LYS 93 H LYS 93 19.125 3.555 -5.554 754 HA LYS 93 HA LYS 93 19.390 6.466 -5.822 755 HB2 LYS 93 2HB LYS 93 20.654 4.503 -3.901 756 HB3 LYS 93 1HB LYS 93 20.953 6.236 -3.886 757 HG2 LYS 93 2HG LYS 93 18.218 5.008 -3.548 758 HG3 LYS 93 1HG LYS 93 19.282 5.419 -2.204 759 HD2 LYS 93 2HD LYS 93 18.273 7.378 -4.274 760 HD3 LYS 93 1HD LYS 93 17.586 7.169 -2.661 761 HE2 LYS 93 2HE LYS 93 20.410 8.043 -3.297 762 HE3 LYS 93 1HE LYS 93 19.105 9.084 -2.729 763 HZ1 LYS 93 3HZ LYS 93 20.677 8.364 -0.973 764 HZ2 LYS 93 1HZ LYS 93 20.158 6.770 -1.198 765 HZ3 LYS 93 2HZ LYS 93 19.070 7.943 -0.654 766 H LYS 94 H LYS 94 21.082 3.551 -6.768 767 HA LYS 94 HA LYS 94 23.557 5.047 -7.236 768 HB2 LYS 94 2HB LYS 94 24.595 2.875 -7.673 769 HB3 LYS 94 1HB LYS 94 23.778 2.911 -6.119 770 HG2 LYS 94 2HG LYS 94 21.803 1.822 -7.461 771 HG3 LYS 94 1HG LYS 94 23.082 1.391 -8.598 772 HD2 LYS 94 2HD LYS 94 22.838 -0.445 -7.090 773 HD3 LYS 94 1HD LYS 94 24.336 0.382 -6.652 774 HE2 LYS 94 2HE LYS 94 22.923 1.671 -4.951 775 HE3 LYS 94 1HE LYS 94 21.671 0.469 -5.253 776 HZ1 LYS 94 3HZ LYS 94 24.386 -0.011 -4.168 777 HZ2 LYS 94 1HZ LYS 94 23.323 -1.248 -4.618 778 HZ3 LYS 94 2HZ LYS 94 22.914 -0.194 -3.362 779 H ASN 95 H ASN 95 21.241 3.112 -9.138 780 HA ASN 95 HA ASN 95 22.404 4.106 -11.630 781 HB2 ASN 95 2HB ASN 95 20.009 2.290 -11.208 782 HB3 ASN 95 1HB ASN 95 20.768 2.659 -12.755 783 HD21 ASN 95 1HD2 ASN 95 20.980 0.841 -9.832 784 HD22 ASN 95 2HD2 ASN 95 22.321 -0.144 -10.303 785 H ASN 96 H ASN 96 19.849 4.827 -9.447 786 HA ASN 96 HA ASN 96 18.272 6.451 -9.348 787 HB2 ASN 96 2HB ASN 96 19.838 7.655 -11.644 788 HB3 ASN 96 1HB ASN 96 18.594 8.491 -10.718 789 HD21 ASN 96 1HD2 ASN 96 21.827 7.248 -10.687 790 HD22 ASN 96 2HD2 ASN 96 22.323 8.026 -9.228 791 H GLN 97 H GLN 97 17.779 4.101 -11.003 792 HA GLN 97 HA GLN 97 15.966 5.147 -13.066 793 HB2 GLN 97 2HB GLN 97 16.821 2.301 -12.483 794 HB3 GLN 97 1HB GLN 97 15.762 2.789 -13.797 795 HG2 GLN 97 2HG GLN 97 18.655 3.575 -13.460 796 HG3 GLN 97 1HG GLN 97 18.018 2.394 -14.602 797 HE21 GLN 97 1HE2 GLN 97 19.550 4.804 -15.133 798 HE22 GLN 97 2HE2 GLN 97 18.573 5.775 -16.176 799 H VAL 98 H VAL 98 13.763 4.189 -13.211 800 HA VAL 98 HA VAL 98 12.608 3.968 -10.512 801 HB VAL 98 HB VAL 98 11.794 5.855 -11.847 802 HG11 VAL 98 1HG1 VAL 98 12.070 4.924 -14.081 803 HG12 VAL 98 2HG1 VAL 98 10.419 5.498 -13.846 804 HG13 VAL 98 3HG1 VAL 98 10.768 3.770 -13.780 805 HG21 VAL 98 3HG2 VAL 98 9.381 5.455 -11.588 806 HG22 VAL 98 1HG2 VAL 98 10.292 4.862 -10.198 807 HG23 VAL 98 2HG2 VAL 98 9.685 3.728 -11.406 808 H TYR 99 H TYR 99 11.242 2.337 -9.928 809 HA TYR 99 HA TYR 99 10.628 0.201 -11.866 810 HB2 TYR 99 2HB TYR 99 12.567 -0.554 -10.599 811 HB3 TYR 99 1HB TYR 99 11.775 -0.154 -9.081 812 HD1 TYR 99 HD2 TYR 99 11.268 -2.318 -12.101 813 HD2 TYR 99 HD1 TYR 99 10.742 -1.866 -7.895 814 HE1 TYR 99 HE2 TYR 99 10.380 -4.610 -11.968 815 HE2 TYR 99 HE1 TYR 99 9.852 -4.153 -7.754 816 HH TYR 99 HH TYR 99 10.069 -6.380 -10.367 817 H TYR 100 H TYR 100 8.731 -1.067 -11.326 818 HA TYR 100 HA TYR 100 6.934 0.262 -9.390 819 HB2 TYR 100 2HB TYR 100 6.175 -1.050 -12.014 820 HB3 TYR 100 1HB TYR 100 5.049 -0.335 -10.863 821 HD1 TYR 100 HD2 TYR 100 5.203 2.163 -10.411 822 HD2 TYR 100 HD1 TYR 100 7.253 0.294 -13.646 823 HE1 TYR 100 HE2 TYR 100 5.467 4.348 -11.504 824 HE2 TYR 100 HE1 TYR 100 7.521 2.478 -14.741 825 HH TYR 100 HH TYR 100 6.420 4.686 -14.732 826 H LYS 101 H LYS 101 5.805 -1.002 -7.969 827 HA LYS 101 HA LYS 101 5.976 -3.929 -8.243 828 HB2 LYS 101 2HB LYS 101 7.855 -3.086 -6.813 829 HB3 LYS 101 1HB LYS 101 6.663 -2.429 -5.704 830 HG2 LYS 101 2HG LYS 101 7.179 -4.400 -4.658 831 HG3 LYS 101 1HG LYS 101 5.795 -4.904 -5.624 832 HD2 LYS 101 2HD LYS 101 8.670 -5.234 -6.500 833 HD3 LYS 101 1HD LYS 101 7.760 -6.480 -5.649 834 HE2 LYS 101 2HE LYS 101 6.124 -6.516 -7.492 835 HE3 LYS 101 1HE LYS 101 7.069 -5.296 -8.343 836 HZ1 LYS 101 3HZ LYS 101 8.086 -7.976 -7.580 837 HZ2 LYS 101 1HZ LYS 101 8.891 -6.821 -8.517 838 HZ3 LYS 101 2HZ LYS 101 7.500 -7.575 -9.112 839 H LEU 102 H LEU 102 4.050 -4.874 -7.896 840 HA LEU 102 HA LEU 102 1.944 -3.377 -6.480 841 HB2 LEU 102 2HB LEU 102 1.829 -5.673 -8.438 842 HB3 LEU 102 1HB LEU 102 0.436 -5.178 -7.498 843 HG LEU 102 HG LEU 102 0.276 -4.233 -9.707 844 HD11 LEU 102 1HD1 LEU 102 0.078 -1.862 -9.176 845 HD12 LEU 102 2HD1 LEU 102 1.027 -2.104 -7.710 846 HD13 LEU 102 3HD1 LEU 102 -0.555 -2.869 -7.874 847 HD21 LEU 102 3HD2 LEU 102 1.936 -2.690 -10.615 848 HD22 LEU 102 1HD2 LEU 102 2.649 -4.274 -10.312 849 HD23 LEU 102 2HD2 LEU 102 2.960 -2.939 -9.201 850 H LEU 103 H LEU 103 1.812 -3.844 -4.381 851 HA LEU 103 HA LEU 103 2.347 -6.605 -3.472 852 HB2 LEU 103 2HB LEU 103 2.355 -4.039 -1.875 853 HB3 LEU 103 1HB LEU 103 2.824 -5.624 -1.289 854 HG LEU 103 HG LEU 103 4.280 -4.166 -3.505 855 HD11 LEU 103 1HD1 LEU 103 4.443 -2.867 -1.463 856 HD12 LEU 103 2HD1 LEU 103 5.985 -3.644 -1.820 857 HD13 LEU 103 3HD1 LEU 103 4.937 -4.302 -0.562 858 HD21 LEU 103 3HD2 LEU 103 6.050 -5.788 -3.069 859 HD22 LEU 103 1HD2 LEU 103 4.550 -6.603 -3.513 860 HD23 LEU 103 2HD2 LEU 103 5.061 -6.554 -1.825 861 H GLU 104 H GLU 104 0.340 -7.625 -3.522 862 HA GLU 104 HA GLU 104 -2.000 -6.272 -2.470 863 HB2 GLU 104 2HB GLU 104 -3.176 -8.421 -2.922 864 HB3 GLU 104 1HB GLU 104 -2.381 -7.732 -4.328 865 HG2 GLU 104 2HG GLU 104 -0.567 -9.321 -4.131 866 HG3 GLU 104 1HG GLU 104 -1.271 -9.975 -2.652 867 H VAL 105 H VAL 105 -2.060 -5.951 -0.339 868 HA VAL 105 HA VAL 105 -1.120 -8.080 1.467 869 HB VAL 105 HB VAL 105 -1.001 -6.412 3.219 870 HG11 VAL 105 1HG1 VAL 105 0.249 -5.382 0.665 871 HG12 VAL 105 2HG1 VAL 105 0.925 -6.619 1.726 872 HG13 VAL 105 3HG1 VAL 105 0.749 -4.962 2.305 873 HG21 VAL 105 3HG2 VAL 105 -1.496 -4.032 2.766 874 HG22 VAL 105 1HG2 VAL 105 -2.931 -5.051 2.659 875 HG23 VAL 105 2HG2 VAL 105 -2.140 -4.482 1.188 876 H SER 106 H SER 106 -2.347 -8.554 3.403 877 HA SER 106 HA SER 106 -5.268 -8.332 2.975 878 HB2 SER 106 2HB SER 106 -3.834 -10.521 4.509 879 HB3 SER 106 1HB SER 106 -5.525 -10.498 4.004 880 HG SER 106 HG SER 106 -4.912 -11.342 2.187 881 H GLY 107 H GLY 107 -6.624 -8.066 4.823 882 HA2 GLY 107 2HA GLY 107 -6.416 -8.145 7.400 883 HA3 GLY 107 1HA GLY 107 -5.247 -6.860 7.145 884 H PHE 108 H PHE 108 -6.994 -5.830 4.875 885 HA PHE 108 HA PHE 108 -8.167 -3.724 6.239 886 HB2 PHE 108 2HB PHE 108 -8.979 -4.805 3.525 887 HB3 PHE 108 1HB PHE 108 -9.345 -3.198 4.139 888 HD1 PHE 108 HD2 PHE 108 -7.546 -1.532 4.407 889 HD2 PHE 108 HD1 PHE 108 -6.820 -5.341 2.641 890 HE1 PHE 108 HE2 PHE 108 -5.422 -0.698 3.480 891 HE2 PHE 108 HE1 PHE 108 -4.701 -4.513 1.715 892 HZ PHE 108 HZ PHE 108 -3.997 -2.190 2.136 893 H LYS 109 H LYS 109 -9.891 -6.512 4.801 894 HA LYS 109 HA LYS 109 -11.827 -6.496 6.948 895 HB2 LYS 109 2HB LYS 109 -12.439 -5.305 4.329 896 HB3 LYS 109 1HB LYS 109 -13.600 -6.527 4.824 897 HG2 LYS 109 2HG LYS 109 -12.808 -4.103 6.442 898 HG3 LYS 109 1HG LYS 109 -14.291 -4.279 5.499 899 HD2 LYS 109 2HD LYS 109 -14.950 -6.193 6.901 900 HD3 LYS 109 1HD LYS 109 -13.475 -6.001 7.850 901 HE2 LYS 109 2HE LYS 109 -14.222 -3.752 8.528 902 HE3 LYS 109 1HE LYS 109 -15.702 -3.971 7.593 903 HZ1 LYS 109 3HZ LYS 109 -16.319 -5.793 9.024 904 HZ2 LYS 109 1HZ LYS 109 -16.007 -4.423 9.965 905 HZ3 LYS 109 2HZ LYS 109 -14.868 -5.670 9.883 906 H SER 110 H SER 110 -13.752 -8.119 6.091 907 HA SER 110 HA SER 110 -12.792 -10.342 4.551 908 HB2 SER 110 2HB SER 110 -12.922 -11.989 6.466 909 HB3 SER 110 1HB SER 110 -11.551 -10.888 6.543 910 HG SER 110 HG SER 110 -12.370 -9.953 8.273 911 H ASN 111 H ASN 111 -14.736 -9.993 3.415 912 HA ASN 111 HA ASN 111 -17.168 -10.882 4.850 913 HB2 ASN 111 2HB ASN 111 -17.050 -8.706 2.740 914 HB3 ASN 111 1HB ASN 111 -18.499 -9.278 3.564 915 HD21 ASN 111 1HD2 ASN 111 -18.818 -8.719 5.726 916 HD22 ASN 111 2HD2 ASN 111 -17.944 -7.441 6.482 917 HA PRO 112 HA PRO 112 -16.482 -13.443 1.010 918 HB2 PRO 112 2HB PRO 112 -16.916 -15.787 2.691 919 HB3 PRO 112 1HB PRO 112 -15.488 -15.344 1.752 920 HG2 PRO 112 2HG PRO 112 -15.545 -15.337 4.478 921 HG3 PRO 112 1HG PRO 112 -14.499 -14.269 3.525 922 HD2 PRO 112 2HD PRO 112 -17.123 -13.663 4.855 923 HD3 PRO 112 1HD PRO 112 -15.645 -12.677 4.776 924 H TYR 113 H TYR 113 -18.570 -15.189 3.326 925 HA TYR 113 HA TYR 113 -20.641 -15.640 1.498 926 HB2 TYR 113 2HB TYR 113 -22.021 -16.255 3.457 927 HB3 TYR 113 1HB TYR 113 -20.421 -16.981 3.509 928 HD1 TYR 113 HD1 TYR 113 -18.678 -15.967 5.055 929 HD2 TYR 113 HD2 TYR 113 -22.792 -14.880 5.237 930 HE1 TYR 113 HE1 TYR 113 -18.346 -15.089 7.328 931 HE2 TYR 113 HE2 TYR 113 -22.467 -14.002 7.506 932 HH TYR 113 HH TYR 113 -19.380 -13.515 8.874 933 H LEU 114 H LEU 114 -20.038 -12.917 3.598 934 HA LEU 114 HA LEU 114 -22.611 -11.721 3.381 935 HB2 LEU 114 2HB LEU 114 -19.928 -10.600 4.185 936 HB3 LEU 114 1HB LEU 114 -21.413 -9.663 4.229 937 HG LEU 114 HG LEU 114 -20.930 -12.207 5.797 938 HD11 LEU 114 1HD1 LEU 114 -19.524 -10.411 6.624 939 HD12 LEU 114 2HD1 LEU 114 -20.829 -10.750 7.759 940 HD13 LEU 114 3HD1 LEU 114 -20.918 -9.334 6.711 941 HD21 LEU 114 3HD2 LEU 114 -23.209 -10.223 5.889 942 HD22 LEU 114 1HD2 LEU 114 -22.996 -11.603 6.966 943 HD23 LEU 114 2HD2 LEU 114 -23.285 -11.865 5.247 944 H GLU 115 H GLU 115 -20.023 -11.922 1.141 945 HA GLU 115 HA GLU 115 -20.520 -9.557 -0.350 946 HB2 GLU 115 2HB GLU 115 -18.511 -11.074 -0.611 947 HB3 GLU 115 1HB GLU 115 -19.554 -12.225 -1.436 948 HG2 GLU 115 2HG GLU 115 -19.993 -10.581 -3.196 949 HG3 GLU 115 1HG GLU 115 -18.982 -9.407 -2.361 950 H HIS 116 H HIS 116 -22.200 -12.567 -0.036 951 HA HIS 116 HA HIS 116 -24.173 -13.379 -0.820 952 HB2 HIS 116 2HB HIS 116 -24.672 -10.521 -1.691 953 HB3 HIS 116 1HB HIS 116 -25.893 -11.782 -1.563 954 HD1 HIS 116 HD1 HIS 116 -25.006 -8.931 0.155 955 HD2 HIS 116 HD2 HIS 116 -25.587 -12.858 1.388 956 HE1 HIS 116 HE1 HIS 116 -25.504 -8.799 2.610 957 HE2 HIS 116 HE2 HIS 116 -26.070 -11.155 3.275 958 H HIS 117 H HIS 117 -21.781 -12.557 -2.794 959 HA HIS 117 HA HIS 117 -23.161 -12.538 -5.342 960 HB2 HIS 117 2HB HIS 117 -21.344 -11.029 -5.146 961 HB3 HIS 117 1HB HIS 117 -20.287 -12.266 -4.485 962 HD1 HIS 117 HD1 HIS 117 -18.470 -12.448 -6.116 963 HD2 HIS 117 HD2 HIS 117 -22.188 -12.361 -7.975 964 HE1 HIS 117 HE1 HIS 117 -18.013 -12.829 -8.556 965 HE2 HIS 117 HE2 HIS 117 -20.282 -12.915 -9.635 966 H HIS 118 H HIS 118 -24.029 -14.545 -5.715 967 HA HIS 118 HA HIS 118 -22.285 -16.509 -6.791 968 HB2 HIS 118 2HB HIS 118 -22.888 -18.406 -5.296 969 HB3 HIS 118 1HB HIS 118 -21.917 -17.179 -4.496 970 HD1 HIS 118 HD1 HIS 118 -22.969 -15.942 -2.535 971 HD2 HIS 118 HD2 HIS 118 -25.563 -18.611 -4.369 972 HE1 HIS 118 HE1 HIS 118 -24.934 -16.135 -0.990 973 HE2 HIS 118 HE2 HIS 118 -26.400 -17.889 -2.034 974 H HIS 119 H HIS 119 -23.315 -17.349 -8.462 975 HA HIS 119 HA HIS 119 -26.124 -17.065 -8.869 976 HB2 HIS 119 2HB HIS 119 -25.614 -18.510 -10.933 977 HB3 HIS 119 1HB HIS 119 -24.804 -16.951 -10.816 978 HD1 HIS 119 HD1 HIS 119 -22.295 -16.943 -10.806 979 HD2 HIS 119 HD2 HIS 119 -23.875 -20.765 -10.389 980 HE1 HIS 119 HE1 HIS 119 -20.336 -18.501 -10.951 981 HE2 HIS 119 HE2 HIS 119 -21.331 -20.802 -10.849 982 H HIS 120 H HIS 120 -27.740 -18.625 -8.978 983 HA HIS 120 HA HIS 120 -27.715 -20.636 -7.018 984 HB2 HIS 120 2HB HIS 120 -29.770 -19.549 -7.790 985 HB3 HIS 120 1HB HIS 120 -29.584 -20.282 -9.378 986 HD1 HIS 120 HD1 HIS 120 -30.628 -21.050 -5.871 987 HD2 HIS 120 HD2 HIS 120 -30.344 -22.988 -9.535 988 HE1 HIS 120 HE1 HIS 120 -31.903 -23.191 -5.599 989 HE2 HIS 120 HE2 HIS 120 -31.499 -24.446 -7.739 990 H HIS 121 H HIS 121 -27.354 -20.879 -10.541 991 HA HIS 121 HA HIS 121 -26.734 -23.755 -10.267 992 HB2 HIS 121 2HB HIS 121 -28.597 -23.238 -11.777 993 HB3 HIS 121 1HB HIS 121 -27.567 -22.157 -12.709 994 HD1 HIS 121 HD1 HIS 121 -27.811 -25.855 -11.837 995 HD2 HIS 121 HD2 HIS 121 -26.304 -23.359 -14.799 996 HE1 HIS 121 HE1 HIS 121 -27.004 -27.381 -13.654 997 HE2 HIS 121 HE2 HIS 121 -26.170 -25.855 -15.469 Start of MODEL 7 1 H1 MET 1 1H MET 1 23.538 -12.848 10.018 2 H2 MET 1 2H MET 1 24.982 -12.950 9.148 3 H3 MET 1 3H MET 1 24.284 -14.349 9.786 4 HA MET 1 HA MET 1 23.902 -14.215 7.410 5 HB2 MET 1 2HB MET 1 21.373 -13.715 9.007 6 HB3 MET 1 1HB MET 1 21.470 -14.520 7.447 7 HG2 MET 1 2HG MET 1 21.191 -16.127 9.242 8 HG3 MET 1 1HG MET 1 22.756 -16.336 8.457 9 HE1 MET 1 3HE MET 1 23.505 -17.263 12.215 10 HE2 MET 1 1HE MET 1 23.530 -17.832 10.545 11 HE3 MET 1 2HE MET 1 21.990 -17.570 11.365 12 H LEU 2 H LEU 2 24.128 -12.733 5.830 13 HA LEU 2 HA LEU 2 22.600 -10.212 6.007 14 HB2 LEU 2 2HB LEU 2 25.050 -9.978 6.666 15 HB3 LEU 2 1HB LEU 2 25.455 -10.378 5.011 16 HG LEU 2 HG LEU 2 25.519 -7.928 5.581 17 HD11 LEU 2 1HD1 LEU 2 23.571 -8.671 3.401 18 HD12 LEU 2 2HD1 LEU 2 25.328 -8.700 3.260 19 HD13 LEU 2 3HD1 LEU 2 24.492 -7.171 3.522 20 HD21 LEU 2 3HD2 LEU 2 23.596 -7.820 7.057 21 HD22 LEU 2 1HD2 LEU 2 22.519 -8.251 5.727 22 HD23 LEU 2 2HD2 LEU 2 23.385 -6.714 5.700 23 H SER 3 H SER 3 21.431 -9.812 4.232 24 HA SER 3 HA SER 3 21.408 -11.605 2.018 25 HB2 SER 3 2HB SER 3 20.063 -8.894 2.257 26 HB3 SER 3 1HB SER 3 19.651 -10.168 1.109 27 HG SER 3 HG SER 3 19.123 -9.971 3.842 28 H GLN 4 H GLN 4 23.321 -11.588 0.859 29 HA GLN 4 HA GLN 4 23.963 -9.066 -0.536 30 HB2 GLN 4 2HB GLN 4 26.359 -9.815 -0.555 31 HB3 GLN 4 1HB GLN 4 25.728 -9.400 1.034 32 HG2 GLN 4 2HG GLN 4 25.520 -11.720 1.624 33 HG3 GLN 4 1HG GLN 4 25.945 -12.221 -0.012 34 HE21 GLN 4 1HE2 GLN 4 27.139 -10.958 2.994 35 HE22 GLN 4 2HE2 GLN 4 28.815 -11.207 2.656 36 H ALA 5 H ALA 5 22.637 -9.734 -2.275 37 HA ALA 5 HA ALA 5 24.072 -11.069 -4.346 38 HB1 ALA 5 3HB ALA 5 21.598 -12.475 -3.320 39 HB2 ALA 5 1HB ALA 5 23.251 -13.066 -3.182 40 HB3 ALA 5 2HB ALA 5 22.501 -12.907 -4.771 41 H ASN 6 H ASN 6 23.112 -10.727 -6.418 42 HA ASN 6 HA ASN 6 21.652 -8.361 -6.705 43 HB2 ASN 6 2HB ASN 6 21.939 -10.625 -8.696 44 HB3 ASN 6 1HB ASN 6 21.398 -8.995 -9.080 45 HD21 ASN 6 1HD2 ASN 6 23.322 -7.770 -7.224 46 HD22 ASN 6 2HD2 ASN 6 24.853 -7.889 -8.007 47 H GLU 7 H GLU 7 20.563 -11.727 -6.684 48 HA GLU 7 HA GLU 7 17.822 -11.111 -7.182 49 HB2 GLU 7 2HB GLU 7 17.391 -13.441 -6.382 50 HB3 GLU 7 1HB GLU 7 18.547 -13.313 -7.698 51 HG2 GLU 7 2HG GLU 7 20.388 -13.546 -6.057 52 HG3 GLU 7 1HG GLU 7 19.186 -13.775 -4.786 53 H ASP 8 H ASP 8 19.760 -11.336 -4.245 54 HA ASP 8 HA ASP 8 17.562 -11.166 -2.447 55 HB2 ASP 8 2HB ASP 8 20.517 -10.671 -2.149 56 HB3 ASP 8 1HB ASP 8 19.401 -10.324 -0.829 57 H PHE 9 H PHE 9 19.452 -8.719 -4.160 58 HA PHE 9 HA PHE 9 18.432 -6.465 -2.785 59 HB2 PHE 9 2HB PHE 9 19.557 -6.791 -5.567 60 HB3 PHE 9 1HB PHE 9 18.987 -5.235 -4.973 61 HD1 PHE 9 HD1 PHE 9 19.985 -4.464 -2.684 62 HD2 PHE 9 HD2 PHE 9 21.782 -7.382 -5.215 63 HE1 PHE 9 HE1 PHE 9 22.162 -4.054 -1.610 64 HE2 PHE 9 HE2 PHE 9 23.957 -6.975 -4.144 65 HZ PHE 9 HZ PHE 9 24.150 -5.313 -2.340 66 H LYS 10 H LYS 10 17.273 -8.053 -5.787 67 HA LYS 10 HA LYS 10 14.926 -6.458 -5.980 68 HB2 LYS 10 2HB LYS 10 14.123 -8.021 -7.619 69 HB3 LYS 10 1HB LYS 10 15.848 -7.800 -7.880 70 HG2 LYS 10 2HG LYS 10 16.300 -9.923 -6.769 71 HG3 LYS 10 1HG LYS 10 14.576 -10.140 -6.463 72 HD2 LYS 10 2HD LYS 10 15.234 -11.454 -8.387 73 HD3 LYS 10 1HD LYS 10 14.170 -10.145 -8.901 74 HE2 LYS 10 2HE LYS 10 16.113 -8.847 -9.633 75 HE3 LYS 10 1HE LYS 10 17.185 -10.139 -9.093 76 HZ1 LYS 10 3HZ LYS 10 16.163 -11.611 -10.712 77 HZ2 LYS 10 1HZ LYS 10 16.803 -10.244 -11.474 78 HZ3 LYS 10 2HZ LYS 10 15.135 -10.377 -11.228 79 H LYS 11 H LYS 11 15.676 -9.469 -4.306 80 HA LYS 11 HA LYS 11 13.174 -10.244 -3.395 81 HB2 LYS 11 2HB LYS 11 15.227 -11.539 -2.992 82 HB3 LYS 11 1HB LYS 11 15.805 -10.297 -1.893 83 HG2 LYS 11 2HG LYS 11 13.875 -10.770 -0.404 84 HG3 LYS 11 1HG LYS 11 13.416 -12.094 -1.482 85 HD2 LYS 11 2HD LYS 11 15.659 -13.109 -1.098 86 HD3 LYS 11 1HD LYS 11 15.997 -11.830 0.068 87 HE2 LYS 11 2HE LYS 11 14.162 -12.584 1.471 88 HE3 LYS 11 1HE LYS 11 13.729 -13.814 0.282 89 HZ1 LYS 11 3HZ LYS 11 15.905 -14.841 0.633 90 HZ2 LYS 11 1HZ LYS 11 15.011 -14.781 2.070 91 HZ3 LYS 11 2HZ LYS 11 16.275 -13.687 1.808 92 H ILE 12 H ILE 12 15.399 -7.835 -1.960 93 HA ILE 12 HA ILE 12 13.919 -7.066 0.253 94 HB ILE 12 HB ILE 12 15.565 -5.285 -1.566 95 HG12 ILE 12 2HG1 ILE 12 16.300 -6.679 1.029 96 HG13 ILE 12 1HG1 ILE 12 16.800 -7.195 -0.578 97 HG21 ILE 12 1HG2 ILE 12 15.733 -3.769 0.379 98 HG22 ILE 12 2HG2 ILE 12 14.576 -4.778 1.247 99 HG23 ILE 12 3HG2 ILE 12 14.079 -3.920 -0.213 100 HD11 ILE 12 3HD1 ILE 12 17.549 -4.606 0.763 101 HD12 ILE 12 1HD1 ILE 12 18.040 -5.108 -0.856 102 HD13 ILE 12 2HD1 ILE 12 18.584 -6.019 0.552 103 H VAL 13 H VAL 13 13.620 -5.836 -3.085 104 HA VAL 13 HA VAL 13 11.522 -4.011 -2.601 105 HB VAL 13 HB VAL 13 12.052 -5.519 -5.175 106 HG11 VAL 13 1HG1 VAL 13 10.663 -2.885 -4.661 107 HG12 VAL 13 2HG1 VAL 13 9.899 -4.391 -5.174 108 HG13 VAL 13 3HG1 VAL 13 11.018 -3.557 -6.252 109 HG21 VAL 13 3HG2 VAL 13 13.244 -2.919 -4.194 110 HG22 VAL 13 1HG2 VAL 13 13.445 -3.586 -5.816 111 HG23 VAL 13 2HG2 VAL 13 14.099 -4.444 -4.421 112 H ASN 14 H ASN 14 11.476 -7.438 -3.530 113 HA ASN 14 HA ASN 14 8.585 -7.581 -3.543 114 HB2 ASN 14 2HB ASN 14 10.760 -9.652 -3.849 115 HB3 ASN 14 1HB ASN 14 9.049 -10.077 -3.806 116 HD21 ASN 14 1HD2 ASN 14 11.515 -8.352 -5.592 117 HD22 ASN 14 2HD2 ASN 14 10.643 -8.282 -7.081 118 H ASN 15 H ASN 15 10.815 -7.480 -1.095 119 HA ASN 15 HA ASN 15 9.320 -9.219 0.736 120 HB2 ASN 15 2HB ASN 15 11.817 -9.331 0.673 121 HB3 ASN 15 1HB ASN 15 11.881 -7.660 1.209 122 HD21 ASN 15 1HD2 ASN 15 11.052 -10.920 2.111 123 HD22 ASN 15 2HD2 ASN 15 11.072 -10.662 3.817 124 H ILE 16 H ILE 16 9.291 -6.028 -0.281 125 HA ILE 16 HA ILE 16 8.960 -4.565 2.088 126 HB ILE 16 HB ILE 16 7.778 -4.003 -0.644 127 HG12 ILE 16 2HG1 ILE 16 10.337 -3.022 0.664 128 HG13 ILE 16 1HG1 ILE 16 10.238 -4.190 -0.648 129 HG21 ILE 16 1HG2 ILE 16 7.587 -1.681 0.095 130 HG22 ILE 16 2HG2 ILE 16 8.181 -2.128 1.695 131 HG23 ILE 16 3HG2 ILE 16 6.630 -2.747 1.126 132 HD11 ILE 16 3HD1 ILE 16 9.316 -2.484 -2.115 133 HD12 ILE 16 1HD1 ILE 16 10.870 -1.984 -1.448 134 HD13 ILE 16 2HD1 ILE 16 9.376 -1.310 -0.798 135 H ARG 17 H ARG 17 7.330 -4.327 3.490 136 HA ARG 17 HA ARG 17 4.589 -5.070 2.735 137 HB2 ARG 17 2HB ARG 17 6.071 -6.879 4.082 138 HB3 ARG 17 1HB ARG 17 5.501 -5.931 5.445 139 HG2 ARG 17 2HG ARG 17 4.037 -7.812 5.106 140 HG3 ARG 17 1HG ARG 17 3.171 -6.326 4.707 141 HD2 ARG 17 2HD ARG 17 3.441 -6.721 2.352 142 HD3 ARG 17 1HD ARG 17 4.525 -8.080 2.654 143 HE ARG 17 HE ARG 17 2.275 -8.882 3.879 144 HH11 ARG 17 1HH1 ARG 17 2.801 -7.596 0.723 145 HH12 ARG 17 2HH1 ARG 17 1.492 -8.483 0.027 146 HH21 ARG 17 1HH2 ARG 17 0.621 -10.047 2.952 147 HH22 ARG 17 2HH2 ARG 17 0.281 -9.860 1.264 148 H LEU 18 H LEU 18 2.951 -4.029 4.044 149 HA LEU 18 HA LEU 18 3.746 -1.371 4.730 150 HB2 LEU 18 2HB LEU 18 1.274 -1.097 5.284 151 HB3 LEU 18 1HB LEU 18 1.712 -1.473 3.632 152 HG LEU 18 HG LEU 18 1.077 -3.849 4.038 153 HD11 LEU 18 1HD1 LEU 18 0.108 -2.805 6.695 154 HD12 LEU 18 2HD1 LEU 18 1.364 -4.013 6.420 155 HD13 LEU 18 3HD1 LEU 18 -0.311 -4.374 6.009 156 HD21 LEU 18 3HD2 LEU 18 -1.064 -1.792 4.567 157 HD22 LEU 18 1HD2 LEU 18 -1.344 -3.449 4.035 158 HD23 LEU 18 2HD2 LEU 18 -0.483 -2.322 2.988 159 H LYS 19 H LYS 19 4.403 -3.798 6.584 160 HA LYS 19 HA LYS 19 4.004 -2.231 9.042 161 HB2 LYS 19 2HB LYS 19 3.687 -5.232 8.773 162 HB3 LYS 19 1HB LYS 19 3.813 -4.394 10.313 163 HG2 LYS 19 2HG LYS 19 1.763 -3.178 9.850 164 HG3 LYS 19 1HG LYS 19 1.655 -3.931 8.262 165 HD2 LYS 19 2HD LYS 19 0.134 -5.047 9.756 166 HD3 LYS 19 1HD LYS 19 1.456 -6.147 9.372 167 HE2 LYS 19 2HE LYS 19 1.424 -4.459 11.872 168 HE3 LYS 19 1HE LYS 19 0.686 -6.056 11.801 169 HZ1 LYS 19 3HZ LYS 19 2.880 -6.938 11.131 170 HZ2 LYS 19 1HZ LYS 19 2.883 -6.255 12.674 171 HZ3 LYS 19 2HZ LYS 19 3.552 -5.407 11.381 172 H ASP 20 H ASP 20 5.736 -5.109 7.837 173 HA ASP 20 HA ASP 20 7.991 -4.919 9.476 174 HB2 ASP 20 2HB ASP 20 7.453 -6.939 8.267 175 HB3 ASP 20 1HB ASP 20 7.627 -6.118 6.722 176 H THR 21 H THR 21 7.453 -3.563 6.226 177 HA THR 21 HA THR 21 10.201 -2.582 6.122 178 HB THR 21 HB THR 21 8.032 -2.359 4.025 179 HG1 THR 21 HG1 THR 21 9.655 -4.454 4.808 180 HG21 THR 21 3HG2 THR 21 9.872 -0.747 3.732 181 HG22 THR 21 1HG2 THR 21 9.887 -1.980 2.470 182 HG23 THR 21 2HG2 THR 21 11.037 -2.068 3.804 183 H PHE 22 H PHE 22 6.932 -1.155 5.750 184 HA PHE 22 HA PHE 22 7.963 1.362 6.838 185 HB2 PHE 22 2HB PHE 22 7.129 2.716 5.028 186 HB3 PHE 22 1HB PHE 22 8.164 1.473 4.335 187 HD1 PHE 22 HD1 PHE 22 6.999 -0.626 3.386 188 HD2 PHE 22 HD2 PHE 22 4.970 3.027 4.215 189 HE1 PHE 22 HE1 PHE 22 5.184 -1.293 1.871 190 HE2 PHE 22 HE2 PHE 22 3.152 2.362 2.696 191 HZ PHE 22 HZ PHE 22 3.256 0.198 1.524 192 H ASP 23 H ASP 23 6.395 2.696 7.769 193 HA ASP 23 HA ASP 23 3.715 1.488 8.082 194 HB2 ASP 23 2HB ASP 23 5.030 1.653 10.169 195 HB3 ASP 23 1HB ASP 23 5.202 3.386 9.926 196 H PHE 24 H PHE 24 2.262 2.499 6.781 197 HA PHE 24 HA PHE 24 2.755 5.282 6.024 198 HB2 PHE 24 2HB PHE 24 1.218 4.970 4.207 199 HB3 PHE 24 1HB PHE 24 2.298 3.585 4.245 200 HD1 PHE 24 HD1 PHE 24 1.469 1.390 5.017 201 HD2 PHE 24 HD2 PHE 24 -1.133 4.730 4.548 202 HE1 PHE 24 HE1 PHE 24 -0.473 -0.120 5.022 203 HE2 PHE 24 HE2 PHE 24 -3.076 3.224 4.557 204 HZ PHE 24 HZ PHE 24 -2.747 0.793 4.793 205 H LYS 25 H LYS 25 0.692 6.638 5.677 206 HA LYS 25 HA LYS 25 -1.417 6.242 7.617 207 HB2 LYS 25 2HB LYS 25 0.715 7.313 8.742 208 HB3 LYS 25 1HB LYS 25 0.165 8.775 7.942 209 HG2 LYS 25 2HG LYS 25 -0.689 8.839 10.133 210 HG3 LYS 25 1HG LYS 25 -2.050 8.454 9.083 211 HD2 LYS 25 2HD LYS 25 -2.234 7.019 10.968 212 HD3 LYS 25 1HD LYS 25 -1.650 6.015 9.643 213 HE2 LYS 25 2HE LYS 25 0.108 7.238 11.779 214 HE3 LYS 25 1HE LYS 25 -0.512 5.591 11.824 215 HZ1 LYS 25 3HZ LYS 25 0.657 5.259 9.642 216 HZ2 LYS 25 1HZ LYS 25 1.667 5.478 10.980 217 HZ3 LYS 25 2HZ LYS 25 1.423 6.748 9.897 218 H LEU 26 H LEU 26 -3.154 7.813 7.370 219 HA LEU 26 HA LEU 26 -3.106 9.131 4.724 220 HB2 LEU 26 2HB LEU 26 -5.479 8.149 6.332 221 HB3 LEU 26 1HB LEU 26 -5.576 8.953 4.780 222 HG LEU 26 HG LEU 26 -5.893 6.652 4.344 223 HD11 LEU 26 1HD1 LEU 26 -4.428 7.735 2.743 224 HD12 LEU 26 2HD1 LEU 26 -3.993 6.038 2.940 225 HD13 LEU 26 3HD1 LEU 26 -3.018 7.294 3.705 226 HD21 LEU 26 3HD2 LEU 26 -3.419 6.079 5.975 227 HD22 LEU 26 1HD2 LEU 26 -4.361 4.887 5.078 228 HD23 LEU 26 2HD2 LEU 26 -5.083 5.734 6.443 229 H ALA 27 H ALA 27 -3.560 11.296 4.545 230 HA ALA 27 HA ALA 27 -3.456 12.964 6.845 231 HB1 ALA 27 3HB ALA 27 -3.787 14.820 5.278 232 HB2 ALA 27 1HB ALA 27 -4.213 13.673 4.005 233 HB3 ALA 27 2HB ALA 27 -2.581 13.680 4.679 234 H ALA 28 H ALA 28 -6.118 11.815 4.847 235 HA ALA 28 HA ALA 28 -8.127 13.442 6.097 236 HB1 ALA 28 3HB ALA 28 -8.408 12.594 3.815 237 HB2 ALA 28 1HB ALA 28 -9.721 12.054 4.862 238 HB3 ALA 28 2HB ALA 28 -8.425 10.939 4.426 239 H PHE 29 H PHE 29 -6.594 10.432 6.832 240 HA PHE 29 HA PHE 29 -8.312 10.116 9.202 241 HB2 PHE 29 2HB PHE 29 -7.310 7.804 7.514 242 HB3 PHE 29 1HB PHE 29 -8.307 7.688 8.960 243 HD1 PHE 29 HD1 PHE 29 -10.672 8.532 8.884 244 HD2 PHE 29 HD2 PHE 29 -8.266 8.167 5.385 245 HE1 PHE 29 HE1 PHE 29 -12.693 8.621 7.483 246 HE2 PHE 29 HE2 PHE 29 -10.285 8.252 3.984 247 HZ PHE 29 HZ PHE 29 -12.501 8.481 5.032 248 HA PRO 30 HA PRO 30 -3.799 10.433 10.332 249 HB2 PRO 30 2HB PRO 30 -5.065 11.559 12.778 250 HB3 PRO 30 1HB PRO 30 -3.708 12.173 11.826 251 HG2 PRO 30 2HG PRO 30 -6.092 13.349 11.693 252 HG3 PRO 30 1HG PRO 30 -5.096 13.152 10.236 253 HD2 PRO 30 2HD PRO 30 -7.473 11.551 11.140 254 HD3 PRO 30 1HD PRO 30 -7.061 12.129 9.511 255 H ASN 31 H ASN 31 -6.282 9.789 12.848 256 HA ASN 31 HA ASN 31 -4.579 7.683 13.938 257 HB2 ASN 31 2HB ASN 31 -7.084 9.004 14.995 258 HB3 ASN 31 1HB ASN 31 -6.290 7.652 15.799 259 HD21 ASN 31 1HD2 ASN 31 -6.038 11.006 14.925 260 HD22 ASN 31 2HD2 ASN 31 -4.698 11.373 15.952 261 H GLN 32 H GLN 32 -4.911 6.298 12.084 262 HA GLN 32 HA GLN 32 -7.162 4.499 12.614 263 HB2 GLN 32 2HB GLN 32 -7.486 4.101 10.192 264 HB3 GLN 32 1HB GLN 32 -7.869 5.743 10.668 265 HG2 GLN 32 2HG GLN 32 -6.749 5.945 8.627 266 HG3 GLN 32 1HG GLN 32 -5.555 6.382 9.843 267 HE21 GLN 32 1HE2 GLN 32 -3.758 5.083 10.112 268 HE22 GLN 32 2HE2 GLN 32 -3.354 3.804 9.028 269 H ASN 33 H ASN 33 -6.784 2.362 11.290 270 HA ASN 33 HA ASN 33 -3.919 1.721 11.099 271 HB2 ASN 33 2HB ASN 33 -5.960 0.134 12.673 272 HB3 ASN 33 1HB ASN 33 -4.383 -0.497 12.210 273 HD21 ASN 33 1HD2 ASN 33 -6.087 1.702 14.271 274 HD22 ASN 33 2HD2 ASN 33 -4.750 2.078 15.296 275 H TYR 34 H TYR 34 -3.371 0.231 9.565 276 HA TYR 34 HA TYR 34 -5.114 -0.274 7.405 277 HB2 TYR 34 2HB TYR 34 -3.154 -2.077 6.941 278 HB3 TYR 34 1HB TYR 34 -2.987 -0.359 6.612 279 HD1 TYR 34 HD1 TYR 34 -2.472 -2.764 9.455 280 HD2 TYR 34 HD2 TYR 34 -1.087 0.699 7.399 281 HE1 TYR 34 HE1 TYR 34 -0.529 -2.647 10.958 282 HE2 TYR 34 HE2 TYR 34 0.858 0.817 8.893 283 HH TYR 34 HH TYR 34 1.656 0.086 10.931 284 H ASP 35 H ASP 35 -5.206 -1.713 10.373 285 HA ASP 35 HA ASP 35 -6.193 -4.287 9.372 286 HB2 ASP 35 2HB ASP 35 -5.853 -3.363 12.236 287 HB3 ASP 35 1HB ASP 35 -6.157 -5.008 11.683 288 H GLN 36 H GLN 36 -7.488 -1.345 9.632 289 HA GLN 36 HA GLN 36 -10.164 -2.341 10.355 290 HB2 GLN 36 2HB GLN 36 -8.940 0.222 11.412 291 HB3 GLN 36 1HB GLN 36 -10.618 -0.254 11.627 292 HG2 GLN 36 2HG GLN 36 -9.915 -2.187 12.940 293 HG3 GLN 36 1HG GLN 36 -8.225 -1.750 12.696 294 HE21 GLN 36 1HE2 GLN 36 -11.182 -0.937 14.333 295 HE22 GLN 36 2HE2 GLN 36 -10.483 0.151 15.477 296 H LEU 37 H LEU 37 -8.279 0.285 8.874 297 HA LEU 37 HA LEU 37 -10.493 1.735 7.878 298 HB2 LEU 37 2HB LEU 37 -7.888 2.303 8.189 299 HB3 LEU 37 1HB LEU 37 -7.869 1.933 6.478 300 HG LEU 37 HG LEU 37 -8.090 4.344 6.897 301 HD11 LEU 37 1HD1 LEU 37 -9.955 4.811 5.432 302 HD12 LEU 37 2HD1 LEU 37 -10.624 3.204 5.719 303 HD13 LEU 37 3HD1 LEU 37 -9.092 3.382 4.864 304 HD21 LEU 37 3HD2 LEU 37 -10.113 5.271 7.894 305 HD22 LEU 37 1HD2 LEU 37 -9.268 4.232 9.039 306 HD23 LEU 37 2HD2 LEU 37 -10.715 3.648 8.218 307 H LEU 38 H LEU 38 -11.591 1.673 5.980 308 HA LEU 38 HA LEU 38 -11.392 -0.728 4.389 309 HB2 LEU 38 2HB LEU 38 -13.262 1.642 4.186 310 HB3 LEU 38 1HB LEU 38 -13.376 0.206 3.188 311 HG LEU 38 HG LEU 38 -15.026 0.030 4.907 312 HD11 LEU 38 1HD1 LEU 38 -13.886 -2.056 4.362 313 HD12 LEU 38 2HD1 LEU 38 -14.376 -2.030 6.055 314 HD13 LEU 38 3HD1 LEU 38 -12.689 -1.747 5.621 315 HD21 LEU 38 3HD2 LEU 38 -12.829 0.468 6.930 316 HD22 LEU 38 1HD2 LEU 38 -14.523 0.139 7.286 317 HD23 LEU 38 2HD2 LEU 38 -14.067 1.642 6.485 318 HA PRO 39 HA PRO 39 -8.593 0.696 1.216 319 HB2 PRO 39 2HB PRO 39 -10.463 -0.918 -0.491 320 HB3 PRO 39 1HB PRO 39 -8.695 -0.921 -0.450 321 HG2 PRO 39 2HG PRO 39 -10.034 -2.868 0.743 322 HG3 PRO 39 1HG PRO 39 -8.612 -2.156 1.531 323 HD2 PRO 39 2HD PRO 39 -11.512 -1.761 2.142 324 HD3 PRO 39 1HD PRO 39 -10.123 -1.816 3.246 325 H SER 40 H SER 40 -12.093 0.800 0.563 326 HA SER 40 HA SER 40 -12.099 2.521 -1.632 327 HB2 SER 40 2HB SER 40 -14.184 2.388 0.567 328 HB3 SER 40 1HB SER 40 -14.430 3.005 -1.068 329 HG SER 40 HG SER 40 -14.722 1.034 -1.721 330 H GLN 41 H GLN 41 -12.079 3.308 1.830 331 HA GLN 41 HA GLN 41 -12.304 6.143 1.421 332 HB2 GLN 41 2HB GLN 41 -11.483 4.541 3.858 333 HB3 GLN 41 1HB GLN 41 -11.746 6.278 3.855 334 HG2 GLN 41 2HG GLN 41 -13.831 4.197 3.214 335 HG3 GLN 41 1HG GLN 41 -13.661 5.034 4.755 336 HE21 GLN 41 1HE2 GLN 41 -15.937 5.004 2.972 337 HE22 GLN 41 2HE2 GLN 41 -16.233 6.643 2.527 338 H ILE 42 H ILE 42 -9.632 3.893 1.980 339 HA ILE 42 HA ILE 42 -7.554 5.716 2.410 340 HB ILE 42 HB ILE 42 -7.356 3.067 0.943 341 HG12 ILE 42 2HG1 ILE 42 -7.075 3.673 3.902 342 HG13 ILE 42 1HG1 ILE 42 -8.442 2.852 3.157 343 HG21 ILE 42 1HG2 ILE 42 -5.022 3.059 1.686 344 HG22 ILE 42 2HG2 ILE 42 -5.245 4.641 2.432 345 HG23 ILE 42 3HG2 ILE 42 -5.359 4.468 0.680 346 HD11 ILE 42 3HD1 ILE 42 -6.952 1.027 2.475 347 HD12 ILE 42 1HD1 ILE 42 -6.968 1.264 4.222 348 HD13 ILE 42 2HD1 ILE 42 -5.606 1.847 3.267 349 H TYR 43 H TYR 43 -8.881 4.459 -0.629 350 HA TYR 43 HA TYR 43 -7.097 5.632 -2.426 351 HB2 TYR 43 2HB TYR 43 -8.639 3.999 -3.235 352 HB3 TYR 43 1HB TYR 43 -10.025 4.936 -2.694 353 HD1 TYR 43 HD1 TYR 43 -7.153 5.097 -5.099 354 HD2 TYR 43 HD2 TYR 43 -11.135 6.337 -4.202 355 HE1 TYR 43 HE1 TYR 43 -7.328 6.148 -7.316 356 HE2 TYR 43 HE2 TYR 43 -11.309 7.388 -6.417 357 HH TYR 43 HH TYR 43 -8.989 6.868 -8.900 358 H LYS 44 H LYS 44 -9.939 7.035 -0.847 359 HA LYS 44 HA LYS 44 -10.171 9.340 -2.468 360 HB2 LYS 44 2HB LYS 44 -11.001 8.925 0.413 361 HB3 LYS 44 1HB LYS 44 -11.529 10.254 -0.609 362 HG2 LYS 44 2HG LYS 44 -12.088 7.333 -1.128 363 HG3 LYS 44 1HG LYS 44 -13.221 8.484 -0.415 364 HD2 LYS 44 2HD LYS 44 -13.111 9.834 -2.483 365 HD3 LYS 44 1HD LYS 44 -12.032 8.632 -3.195 366 HE2 LYS 44 2HE LYS 44 -13.788 6.937 -3.020 367 HE3 LYS 44 1HE LYS 44 -14.860 8.110 -2.255 368 HZ1 LYS 44 3HZ LYS 44 -13.822 8.195 -5.038 369 HZ2 LYS 44 1HZ LYS 44 -14.699 9.446 -4.312 370 HZ3 LYS 44 2HZ LYS 44 -15.422 7.940 -4.555 371 H ASN 45 H ASN 45 -7.891 8.536 -0.052 372 HA ASN 45 HA ASN 45 -7.229 11.283 0.646 373 HB2 ASN 45 2HB ASN 45 -7.195 9.583 2.390 374 HB3 ASN 45 1HB ASN 45 -6.023 8.634 1.485 375 HD21 ASN 45 1HD2 ASN 45 -3.883 9.262 1.474 376 HD22 ASN 45 2HD2 ASN 45 -3.256 10.452 2.553 377 H TYR 46 H TYR 46 -6.519 9.429 -1.982 378 HA TYR 46 HA TYR 46 -3.798 9.268 -2.280 379 HB2 TYR 46 2HB TYR 46 -4.135 9.085 -4.633 380 HB3 TYR 46 1HB TYR 46 -5.552 8.390 -3.859 381 HD1 TYR 46 HD2 TYR 46 -7.686 9.830 -3.748 382 HD2 TYR 46 HD1 TYR 46 -4.351 10.826 -6.203 383 HE1 TYR 46 HE2 TYR 46 -9.122 11.295 -5.100 384 HE2 TYR 46 HE1 TYR 46 -5.781 12.294 -7.556 385 HH TYR 46 HH TYR 46 -8.095 12.607 -8.107 386 H TYR 47 H TYR 47 -5.782 12.152 -2.841 387 HA TYR 47 HA TYR 47 -3.489 13.666 -3.806 388 HB2 TYR 47 2HB TYR 47 -5.725 13.977 -4.838 389 HB3 TYR 47 1HB TYR 47 -6.330 14.594 -3.304 390 HD1 TYR 47 HD1 TYR 47 -4.045 15.284 -6.125 391 HD2 TYR 47 HD2 TYR 47 -5.892 16.865 -2.625 392 HE1 TYR 47 HE1 TYR 47 -3.324 17.543 -6.770 393 HE2 TYR 47 HE2 TYR 47 -5.173 19.129 -3.263 394 HH TYR 47 HH TYR 47 -3.372 20.168 -4.663 395 H GLN 48 H GLN 48 -5.353 13.346 -0.859 396 HA GLN 48 HA GLN 48 -4.772 15.787 0.382 397 HB2 GLN 48 2HB GLN 48 -5.264 13.077 1.641 398 HB3 GLN 48 1HB GLN 48 -5.280 14.603 2.515 399 HG2 GLN 48 2HG GLN 48 -7.139 13.894 0.249 400 HG3 GLN 48 1HG GLN 48 -7.535 13.773 1.962 401 HE21 GLN 48 1HE2 GLN 48 -8.733 15.402 -0.169 402 HE22 GLN 48 2HE2 GLN 48 -8.635 17.036 0.381 403 H GLY 49 H GLY 49 -3.180 12.649 1.059 404 HA2 GLY 49 2HA GLY 49 -0.561 13.239 0.892 405 HA3 GLY 49 1HA GLY 49 -0.989 14.013 2.412 406 H ILE 50 H ILE 50 0.636 11.528 1.480 407 HA ILE 50 HA ILE 50 -0.474 9.690 3.518 408 HB ILE 50 HB ILE 50 1.061 8.939 1.013 409 HG12 ILE 50 2HG1 ILE 50 -1.840 8.480 1.777 410 HG13 ILE 50 1HG1 ILE 50 -1.265 9.601 0.548 411 HG21 ILE 50 1HG2 ILE 50 -0.102 7.179 3.181 412 HG22 ILE 50 2HG2 ILE 50 1.612 7.447 2.860 413 HG23 ILE 50 3HG2 ILE 50 0.614 6.605 1.675 414 HD11 ILE 50 3HD1 ILE 50 -1.030 6.602 0.475 415 HD12 ILE 50 1HD1 ILE 50 -0.399 7.706 -0.746 416 HD13 ILE 50 2HD1 ILE 50 -2.137 7.595 -0.469 417 H GLU 51 H GLU 51 0.933 8.859 5.040 418 HA GLU 51 HA GLU 51 3.598 10.063 5.180 419 HB2 GLU 51 2HB GLU 51 2.335 10.226 7.206 420 HB3 GLU 51 1HB GLU 51 1.905 8.523 7.152 421 HG2 GLU 51 2HG GLU 51 4.285 7.946 7.532 422 HG3 GLU 51 1HG GLU 51 4.645 9.663 7.694 423 H ILE 52 H ILE 52 5.502 8.917 5.154 424 HA ILE 52 HA ILE 52 5.342 5.976 4.889 425 HB ILE 52 HB ILE 52 7.286 7.801 3.445 426 HG12 ILE 52 2HG1 ILE 52 5.014 7.831 2.457 427 HG13 ILE 52 1HG1 ILE 52 6.184 7.072 1.384 428 HG21 ILE 52 1HG2 ILE 52 8.067 5.740 2.326 429 HG22 ILE 52 2HG2 ILE 52 7.031 4.790 3.391 430 HG23 ILE 52 3HG2 ILE 52 8.368 5.722 4.064 431 HD11 ILE 52 3HD1 ILE 52 5.367 4.871 2.044 432 HD12 ILE 52 1HD1 ILE 52 4.073 5.874 1.389 433 HD13 ILE 52 2HD1 ILE 52 4.200 5.627 3.131 434 H GLN 53 H GLN 53 5.876 5.488 6.992 435 HA GLN 53 HA GLN 53 8.244 6.699 8.199 436 HB2 GLN 53 2HB GLN 53 6.205 6.440 9.549 437 HB3 GLN 53 1HB GLN 53 6.267 4.700 9.318 438 HG2 GLN 53 2HG GLN 53 8.255 4.513 10.615 439 HG3 GLN 53 1HG GLN 53 8.457 6.264 10.664 440 HE21 GLN 53 1HE2 GLN 53 5.337 4.735 11.066 441 HE22 GLN 53 2HE2 GLN 53 5.176 5.081 12.750 442 H GLN 54 H GLN 54 10.150 5.874 7.708 443 HA GLN 54 HA GLN 54 10.447 3.392 6.342 444 HB2 GLN 54 2HB GLN 54 12.861 3.991 6.320 445 HB3 GLN 54 1HB GLN 54 11.810 5.271 5.731 446 HG2 GLN 54 2HG GLN 54 11.988 6.422 7.880 447 HG3 GLN 54 1HG GLN 54 13.026 5.134 8.489 448 HE21 GLN 54 1HE2 GLN 54 13.533 8.012 8.142 449 HE22 GLN 54 2HE2 GLN 54 14.941 8.117 7.144 450 H HIS 55 H HIS 55 11.316 1.453 6.955 451 HA HIS 55 HA HIS 55 12.610 1.234 9.589 452 HB2 HIS 55 2HB HIS 55 10.504 -0.681 8.555 453 HB3 HIS 55 1HB HIS 55 11.473 -0.934 9.999 454 HD1 HIS 55 HD1 HIS 55 8.231 0.047 9.131 455 HD2 HIS 55 HD2 HIS 55 11.031 1.527 11.815 456 HE1 HIS 55 HE1 HIS 55 6.921 1.381 10.799 457 HE2 HIS 55 HE2 HIS 55 8.605 2.055 12.533 458 H LYS 56 H LYS 56 12.530 0.296 6.243 459 HA LYS 56 HA LYS 56 14.642 -1.717 6.707 460 HB2 LYS 56 2HB LYS 56 12.445 -2.824 6.489 461 HB3 LYS 56 1HB LYS 56 12.235 -2.077 4.915 462 HG2 LYS 56 2HG LYS 56 14.435 -3.295 4.291 463 HG3 LYS 56 1HG LYS 56 14.102 -4.277 5.722 464 HD2 LYS 56 2HD LYS 56 11.828 -4.745 4.770 465 HD3 LYS 56 1HD LYS 56 12.332 -3.912 3.300 466 HE2 LYS 56 2HE LYS 56 12.644 -6.205 2.858 467 HE3 LYS 56 1HE LYS 56 14.257 -5.582 3.202 468 HZ1 LYS 56 3HZ LYS 56 12.505 -7.090 5.064 469 HZ2 LYS 56 1HZ LYS 56 13.995 -6.413 5.489 470 HZ3 LYS 56 2HZ LYS 56 13.925 -7.648 4.340 471 H TYR 57 H TYR 57 16.389 -0.958 5.676 472 HA TYR 57 HA TYR 57 17.793 -0.221 4.026 473 HB2 TYR 57 2HB TYR 57 16.033 -2.242 2.649 474 HB3 TYR 57 1HB TYR 57 17.451 -1.553 1.866 475 HD1 TYR 57 HD2 TYR 57 16.499 -3.239 5.070 476 HD2 TYR 57 HD1 TYR 57 19.469 -2.687 2.071 477 HE1 TYR 57 HE2 TYR 57 17.908 -4.935 6.159 478 HE2 TYR 57 HE1 TYR 57 20.887 -4.381 3.154 479 HH TYR 57 HH TYR 57 21.184 -5.398 5.374 480 H GLN 58 H GLN 58 15.984 1.829 4.282 481 HA GLN 58 HA GLN 58 14.805 2.470 1.716 482 HB2 GLN 58 2HB GLN 58 15.019 4.034 4.294 483 HB3 GLN 58 1HB GLN 58 14.201 4.633 2.855 484 HG2 GLN 58 2HG GLN 58 13.466 2.124 4.360 485 HG3 GLN 58 1HG GLN 58 12.646 3.676 4.496 486 HE21 GLN 58 1HE2 GLN 58 13.184 0.894 2.505 487 HE22 GLN 58 2HE2 GLN 58 11.936 1.229 1.359 488 H ASN 59 H ASN 59 17.919 2.748 2.935 489 HA ASN 59 HA ASN 59 18.702 5.241 1.801 490 HB2 ASN 59 2HB ASN 59 20.035 4.214 3.546 491 HB3 ASN 59 1HB ASN 59 20.336 2.800 2.541 492 HD21 ASN 59 1HD2 ASN 59 20.918 6.245 2.827 493 HD22 ASN 59 2HD2 ASN 59 22.377 6.259 1.902 494 H GLU 60 H GLU 60 18.325 2.035 0.475 495 HA GLU 60 HA GLU 60 19.661 2.782 -2.014 496 HB2 GLU 60 2HB GLU 60 20.016 0.517 -1.117 497 HB3 GLU 60 1HB GLU 60 18.291 0.196 -1.235 498 HG2 GLU 60 2HG GLU 60 19.389 -0.839 -3.090 499 HG3 GLU 60 1HG GLU 60 18.438 0.517 -3.689 500 H LEU 61 H LEU 61 16.425 1.652 -0.999 501 HA LEU 61 HA LEU 61 15.332 2.873 -3.455 502 HB2 LEU 61 2HB LEU 61 13.496 1.184 -3.272 503 HB3 LEU 61 1HB LEU 61 15.078 0.522 -3.627 504 HG LEU 61 HG LEU 61 15.158 0.133 -1.008 505 HD11 LEU 61 1HD1 LEU 61 12.986 -0.451 -0.071 506 HD12 LEU 61 2HD1 LEU 61 12.187 0.109 -1.540 507 HD13 LEU 61 3HD1 LEU 61 13.045 1.254 -0.512 508 HD21 LEU 61 3HD2 LEU 61 13.548 -1.620 -2.865 509 HD22 LEU 61 1HD2 LEU 61 14.305 -2.123 -1.354 510 HD23 LEU 61 2HD2 LEU 61 15.305 -1.613 -2.714 511 H ASP 62 H ASP 62 13.722 4.322 -3.282 512 HA ASP 62 HA ASP 62 12.849 5.063 -0.576 513 HB2 ASP 62 2HB ASP 62 13.927 6.795 -1.974 514 HB3 ASP 62 1HB ASP 62 12.644 6.615 -3.168 515 H ILE 63 H ILE 63 10.797 4.783 0.093 516 HA ILE 63 HA ILE 63 8.902 3.542 -1.753 517 HB ILE 63 HB ILE 63 8.907 3.808 1.256 518 HG12 ILE 63 2HG1 ILE 63 9.181 1.410 -0.580 519 HG13 ILE 63 1HG1 ILE 63 10.486 2.166 0.330 520 HG21 ILE 63 1HG2 ILE 63 6.908 2.358 1.255 521 HG22 ILE 63 2HG2 ILE 63 6.819 2.514 -0.500 522 HG23 ILE 63 3HG2 ILE 63 6.604 3.933 0.521 523 HD11 ILE 63 3HD1 ILE 63 9.745 0.137 1.409 524 HD12 ILE 63 1HD1 ILE 63 8.095 0.754 1.490 525 HD13 ILE 63 2HD1 ILE 63 9.375 1.535 2.420 526 H LYS 64 H LYS 64 7.456 4.762 -2.781 527 HA LYS 64 HA LYS 64 5.898 6.706 -1.217 528 HB2 LYS 64 2HB LYS 64 7.014 7.187 -3.993 529 HB3 LYS 64 1HB LYS 64 5.775 8.187 -3.247 530 HG2 LYS 64 2HG LYS 64 7.353 8.755 -1.435 531 HG3 LYS 64 1HG LYS 64 8.598 7.801 -2.246 532 HD2 LYS 64 2HD LYS 64 8.523 9.274 -4.170 533 HD3 LYS 64 1HD LYS 64 7.183 10.181 -3.460 534 HE2 LYS 64 2HE LYS 64 8.667 10.819 -1.576 535 HE3 LYS 64 1HE LYS 64 9.999 9.988 -2.377 536 HZ1 LYS 64 3HZ LYS 64 8.497 12.304 -3.458 537 HZ2 LYS 64 1HZ LYS 64 9.760 11.505 -4.249 538 HZ3 LYS 64 2HZ LYS 64 10.058 12.349 -2.815 539 H ILE 65 H ILE 65 3.707 6.518 -1.524 540 HA ILE 65 HA ILE 65 2.800 4.395 -3.333 541 HB ILE 65 HB ILE 65 1.259 5.860 -1.173 542 HG12 ILE 65 2HG1 ILE 65 2.550 3.111 -1.136 543 HG13 ILE 65 1HG1 ILE 65 3.128 4.525 -0.262 544 HG21 ILE 65 1HG2 ILE 65 -0.391 4.059 -1.400 545 HG22 ILE 65 2HG2 ILE 65 0.544 3.362 -2.724 546 HG23 ILE 65 3HG2 ILE 65 -0.204 4.949 -2.914 547 HD11 ILE 65 3HD1 ILE 65 1.944 3.014 1.212 548 HD12 ILE 65 1HD1 ILE 65 0.507 3.107 0.190 549 HD13 ILE 65 2HD1 ILE 65 1.068 4.537 1.058 550 H ILE 66 H ILE 66 1.809 4.800 -5.211 551 HA ILE 66 HA ILE 66 1.114 7.553 -5.910 552 HB ILE 66 HB ILE 66 1.165 5.084 -7.666 553 HG12 ILE 66 2HG1 ILE 66 3.217 7.299 -7.360 554 HG13 ILE 66 1HG1 ILE 66 3.396 5.651 -6.767 555 HG21 ILE 66 1HG2 ILE 66 -0.311 6.822 -8.539 556 HG22 ILE 66 2HG2 ILE 66 1.133 6.671 -9.539 557 HG23 ILE 66 3HG2 ILE 66 0.985 8.011 -8.402 558 HD11 ILE 66 3HD1 ILE 66 4.633 5.990 -8.825 559 HD12 ILE 66 1HD1 ILE 66 3.151 6.466 -9.656 560 HD13 ILE 66 2HD1 ILE 66 3.337 4.817 -9.058 561 H ASN 67 H ASN 67 -0.452 4.385 -6.525 562 HA ASN 67 HA ASN 67 -3.052 5.565 -5.843 563 HB2 ASN 67 2HB ASN 67 -4.092 4.635 -7.876 564 HB3 ASN 67 1HB ASN 67 -2.860 5.830 -8.264 565 HD21 ASN 67 1HD2 ASN 67 -1.034 5.194 -9.350 566 HD22 ASN 67 2HD2 ASN 67 -0.834 3.617 -10.020 567 H PHE 68 H PHE 68 -4.777 3.601 -6.328 568 HA PHE 68 HA PHE 68 -3.735 1.171 -5.017 569 HB2 PHE 68 2HB PHE 68 -6.360 2.525 -4.319 570 HB3 PHE 68 1HB PHE 68 -5.682 1.091 -3.554 571 HD1 PHE 68 HD1 PHE 68 -5.464 4.736 -3.856 572 HD2 PHE 68 HD2 PHE 68 -3.874 1.273 -1.946 573 HE1 PHE 68 HE1 PHE 68 -4.320 6.170 -2.217 574 HE2 PHE 68 HE2 PHE 68 -2.727 2.707 -0.307 575 HZ PHE 68 HZ PHE 68 -2.948 5.156 -0.441 576 H LEU 69 H LEU 69 -4.691 -0.779 -5.666 577 HA LEU 69 HA LEU 69 -6.987 -0.670 -7.486 578 HB2 LEU 69 2HB LEU 69 -5.932 -2.198 -9.095 579 HB3 LEU 69 1HB LEU 69 -5.116 -0.652 -9.007 580 HG LEU 69 HG LEU 69 -4.092 -3.095 -7.550 581 HD11 LEU 69 1HD1 LEU 69 -3.327 -2.129 -10.310 582 HD12 LEU 69 2HD1 LEU 69 -4.198 -3.618 -9.937 583 HD13 LEU 69 3HD1 LEU 69 -2.529 -3.417 -9.405 584 HD21 LEU 69 3HD2 LEU 69 -1.978 -1.870 -7.570 585 HD22 LEU 69 1HD2 LEU 69 -3.240 -0.939 -6.768 586 HD23 LEU 69 2HD2 LEU 69 -2.751 -0.527 -8.411 587 H TYR 70 H TYR 70 -8.044 -2.731 -7.835 588 HA TYR 70 HA TYR 70 -7.953 -4.359 -5.391 589 HB2 TYR 70 2HB TYR 70 -10.053 -4.377 -7.570 590 HB3 TYR 70 1HB TYR 70 -10.193 -5.055 -5.952 591 HD1 TYR 70 HD1 TYR 70 -9.799 -3.249 -4.000 592 HD2 TYR 70 HD2 TYR 70 -11.054 -2.332 -7.959 593 HE1 TYR 70 HE1 TYR 70 -10.767 -1.133 -3.200 594 HE2 TYR 70 HE2 TYR 70 -12.020 -0.217 -7.174 595 HH TYR 70 HH TYR 70 -11.365 1.094 -4.142 596 HA PRO 71 HA PRO 71 -6.173 -7.931 -7.322 597 HB2 PRO 71 2HB PRO 71 -7.541 -9.970 -6.094 598 HB3 PRO 71 1HB PRO 71 -6.257 -9.040 -5.312 599 HG2 PRO 71 2HG PRO 71 -9.233 -8.695 -5.114 600 HG3 PRO 71 1HG PRO 71 -8.017 -8.674 -3.821 601 HD2 PRO 71 2HD PRO 71 -9.037 -6.399 -4.815 602 HD3 PRO 71 1HD PRO 71 -7.331 -6.508 -4.332 603 H ASP 72 H ASP 72 -9.741 -7.951 -7.195 604 HA ASP 72 HA ASP 72 -9.773 -9.408 -9.767 605 HB2 ASP 72 2HB ASP 72 -11.876 -9.288 -7.594 606 HB3 ASP 72 1HB ASP 72 -12.097 -10.077 -9.152 607 H GLY 73 H GLY 73 -9.626 -6.405 -9.189 608 HA2 GLY 73 2HA GLY 73 -10.266 -4.622 -10.536 609 HA3 GLY 73 1HA GLY 73 -11.440 -5.663 -11.319 610 H ASP 74 H ASP 74 -13.140 -6.393 -9.335 611 HA ASP 74 HA ASP 74 -14.568 -3.935 -8.826 612 HB2 ASP 74 2HB ASP 74 -15.805 -5.895 -9.553 613 HB3 ASP 74 1HB ASP 74 -15.235 -6.815 -8.164 614 H PHE 75 H PHE 75 -15.248 -3.137 -6.794 615 HA PHE 75 HA PHE 75 -13.275 -3.276 -4.742 616 HB2 PHE 75 2HB PHE 75 -14.754 -1.722 -3.505 617 HB3 PHE 75 1HB PHE 75 -14.468 -1.203 -5.162 618 HD1 PHE 75 HD1 PHE 75 -16.258 -1.319 -6.831 619 HD2 PHE 75 HD2 PHE 75 -16.952 -2.372 -2.763 620 HE1 PHE 75 HE1 PHE 75 -18.681 -1.152 -7.203 621 HE2 PHE 75 HE2 PHE 75 -19.380 -2.214 -3.134 622 HZ PHE 75 HZ PHE 75 -20.247 -1.599 -5.356 623 H GLY 76 H GLY 76 -16.532 -4.660 -5.060 624 HA2 GLY 76 2HA GLY 76 -16.822 -5.569 -2.396 625 HA3 GLY 76 1HA GLY 76 -17.660 -6.220 -3.796 626 H SER 77 H SER 77 -15.494 -7.165 -5.281 627 HA SER 77 HA SER 77 -14.893 -9.627 -4.036 628 HB2 SER 77 2HB SER 77 -14.886 -9.282 -6.506 629 HB3 SER 77 1HB SER 77 -13.383 -8.371 -6.340 630 HG SER 77 HG SER 77 -12.301 -10.183 -6.015 631 H ALA 78 H ALA 78 -13.274 -6.545 -3.904 632 HA ALA 78 HA ALA 78 -10.866 -7.596 -2.702 633 HB1 ALA 78 3HB ALA 78 -10.857 -5.464 -3.930 634 HB2 ALA 78 1HB ALA 78 -10.294 -5.269 -2.269 635 HB3 ALA 78 2HB ALA 78 -11.925 -4.766 -2.713 636 H ASN 79 H ASN 79 -13.969 -6.388 -1.597 637 HA ASN 79 HA ASN 79 -13.359 -6.070 1.155 638 HB2 ASN 79 2HB ASN 79 -15.340 -5.080 0.023 639 HB3 ASN 79 1HB ASN 79 -16.032 -6.692 -0.136 640 HD21 ASN 79 1HD2 ASN 79 -17.765 -6.545 1.160 641 HD22 ASN 79 2HD2 ASN 79 -17.699 -6.164 2.843 642 H LYS 80 H LYS 80 -14.537 -8.827 -0.737 643 HA LYS 80 HA LYS 80 -15.475 -10.526 1.198 644 HB2 LYS 80 2HB LYS 80 -15.085 -12.347 -0.301 645 HB3 LYS 80 1HB LYS 80 -15.473 -10.936 -1.275 646 HG2 LYS 80 2HG LYS 80 -12.998 -10.606 -1.596 647 HG3 LYS 80 1HG LYS 80 -12.768 -12.181 -0.836 648 HD2 LYS 80 2HD LYS 80 -14.155 -13.214 -2.592 649 HD3 LYS 80 1HD LYS 80 -14.351 -11.633 -3.355 650 HE2 LYS 80 2HE LYS 80 -11.816 -11.547 -3.514 651 HE3 LYS 80 1HE LYS 80 -11.818 -13.249 -3.051 652 HZ1 LYS 80 3HZ LYS 80 -13.103 -12.072 -5.457 653 HZ2 LYS 80 1HZ LYS 80 -13.225 -13.698 -5.000 654 HZ3 LYS 80 2HZ LYS 80 -11.724 -13.049 -5.429 655 H ASN 81 H ASN 81 -12.082 -9.935 0.418 656 HA ASN 81 HA ASN 81 -11.301 -11.672 2.678 657 HB2 ASN 81 2HB ASN 81 -9.753 -11.030 0.157 658 HB3 ASN 81 1HB ASN 81 -9.105 -11.934 1.521 659 HD21 ASN 81 1HD2 ASN 81 -11.624 -13.331 2.027 660 HD22 ASN 81 2HD2 ASN 81 -11.762 -14.508 0.774 661 H GLY 82 H GLY 82 -11.618 -8.501 1.830 662 HA2 GLY 82 2HA GLY 82 -10.768 -6.522 2.628 663 HA3 GLY 82 1HA GLY 82 -10.079 -7.454 3.945 664 H THR 83 H THR 83 -9.442 -7.498 0.453 665 HA THR 83 HA THR 83 -6.562 -7.189 1.044 666 HB THR 83 HB THR 83 -6.155 -8.304 -1.128 667 HG1 THR 83 HG1 THR 83 -8.580 -7.679 -1.702 668 HG21 THR 83 3HG2 THR 83 -6.870 -10.559 -0.482 669 HG22 THR 83 1HG2 THR 83 -7.978 -9.872 0.708 670 HG23 THR 83 2HG2 THR 83 -6.236 -9.669 0.902 671 H LEU 84 H LEU 84 -5.326 -5.719 -0.032 672 HA LEU 84 HA LEU 84 -6.468 -4.190 -2.257 673 HB2 LEU 84 2HB LEU 84 -6.920 -2.887 -0.192 674 HB3 LEU 84 1HB LEU 84 -5.203 -2.887 0.167 675 HG LEU 84 HG LEU 84 -4.780 -1.587 -1.896 676 HD11 LEU 84 1HD1 LEU 84 -7.789 -1.520 -2.124 677 HD12 LEU 84 2HD1 LEU 84 -6.669 -2.308 -3.236 678 HD13 LEU 84 3HD1 LEU 84 -6.666 -0.552 -3.079 679 HD21 LEU 84 3HD2 LEU 84 -5.034 -0.421 0.218 680 HD22 LEU 84 1HD2 LEU 84 -6.784 -0.360 0.002 681 HD23 LEU 84 2HD2 LEU 84 -5.728 0.534 -1.091 682 H LYS 85 H LYS 85 -4.939 -3.485 -3.748 683 HA LYS 85 HA LYS 85 -2.187 -4.414 -3.267 684 HB2 LYS 85 2HB LYS 85 -3.522 -3.752 -5.907 685 HB3 LYS 85 1HB LYS 85 -1.918 -4.450 -5.695 686 HG2 LYS 85 2HG LYS 85 -3.001 -6.413 -4.583 687 HG3 LYS 85 1HG LYS 85 -4.565 -5.726 -5.015 688 HD2 LYS 85 2HD LYS 85 -4.000 -7.381 -6.653 689 HD3 LYS 85 1HD LYS 85 -3.858 -5.796 -7.413 690 HE2 LYS 85 2HE LYS 85 -1.459 -5.858 -7.234 691 HE3 LYS 85 1HE LYS 85 -1.522 -7.328 -6.261 692 HZ1 LYS 85 3HZ LYS 85 -2.329 -7.072 -9.107 693 HZ2 LYS 85 1HZ LYS 85 -2.481 -8.479 -8.183 694 HZ3 LYS 85 2HZ LYS 85 -0.949 -7.852 -8.526 695 H LEU 86 H LEU 86 -0.905 -2.873 -2.539 696 HA LEU 86 HA LEU 86 -1.398 -0.073 -3.030 697 HB2 LEU 86 2HB LEU 86 0.909 -1.444 -1.623 698 HB3 LEU 86 1HB LEU 86 0.627 0.284 -1.650 699 HG LEU 86 HG LEU 86 -0.092 -0.469 0.471 700 HD11 LEU 86 1HD1 LEU 86 -2.565 -0.194 -1.226 701 HD12 LEU 86 2HD1 LEU 86 -1.594 1.134 -0.589 702 HD13 LEU 86 3HD1 LEU 86 -2.453 0.062 0.515 703 HD21 LEU 86 3HD2 LEU 86 -0.234 -2.859 -0.001 704 HD22 LEU 86 1HD2 LEU 86 -1.727 -2.600 -0.906 705 HD23 LEU 86 2HD2 LEU 86 -1.679 -2.284 0.829 706 H SER 87 H SER 87 -0.561 1.111 -4.659 707 HA SER 87 HA SER 87 1.485 -0.062 -6.388 708 HB2 SER 87 2HB SER 87 -0.521 0.976 -7.413 709 HB3 SER 87 1HB SER 87 -0.061 2.528 -6.715 710 HG SER 87 HG SER 87 0.793 1.372 -8.990 711 H LEU 88 H LEU 88 3.466 0.140 -5.442 712 HA LEU 88 HA LEU 88 4.274 2.746 -4.355 713 HB2 LEU 88 2HB LEU 88 5.413 -0.023 -4.068 714 HB3 LEU 88 1HB LEU 88 6.345 1.394 -3.627 715 HG LEU 88 HG LEU 88 4.549 2.001 -1.995 716 HD11 LEU 88 1HD1 LEU 88 3.466 -0.733 -2.667 717 HD12 LEU 88 2HD1 LEU 88 2.684 0.811 -3.006 718 HD13 LEU 88 3HD1 LEU 88 2.930 0.297 -1.339 719 HD21 LEU 88 3HD2 LEU 88 5.192 0.329 -0.335 720 HD22 LEU 88 1HD2 LEU 88 6.582 0.840 -1.292 721 HD23 LEU 88 2HD2 LEU 88 5.817 -0.715 -1.613 722 H MET 89 H MET 89 5.764 4.011 -5.278 723 HA MET 89 HA MET 89 7.281 2.995 -7.586 724 HB2 MET 89 2HB MET 89 7.751 5.392 -8.074 725 HB3 MET 89 1HB MET 89 6.039 5.002 -8.099 726 HG2 MET 89 2HG MET 89 5.792 5.965 -5.859 727 HG3 MET 89 1HG MET 89 7.507 6.370 -5.849 728 HE1 MET 89 3HE MET 89 8.615 8.155 -7.489 729 HE2 MET 89 1HE MET 89 7.718 9.032 -8.726 730 HE3 MET 89 2HE MET 89 7.964 7.292 -8.883 731 H LEU 90 H LEU 90 9.134 2.097 -6.921 732 HA LEU 90 HA LEU 90 10.535 3.114 -4.579 733 HB2 LEU 90 2HB LEU 90 11.057 0.691 -6.313 734 HB3 LEU 90 1HB LEU 90 12.013 1.124 -4.910 735 HG LEU 90 HG LEU 90 10.530 -0.599 -4.232 736 HD11 LEU 90 1HD1 LEU 90 10.817 1.163 -2.600 737 HD12 LEU 90 2HD1 LEU 90 9.192 0.484 -2.491 738 HD13 LEU 90 3HD1 LEU 90 9.445 2.046 -3.273 739 HD21 LEU 90 3HD2 LEU 90 8.095 -0.473 -4.474 740 HD22 LEU 90 1HD2 LEU 90 8.907 -0.468 -6.040 741 HD23 LEU 90 2HD2 LEU 90 8.261 1.033 -5.376 742 H THR 91 H THR 91 11.837 4.813 -4.913 743 HA THR 91 HA THR 91 13.260 5.187 -7.410 744 HB THR 91 HB THR 91 13.520 6.787 -4.846 745 HG1 THR 91 HG1 THR 91 11.844 7.972 -5.536 746 HG21 THR 91 3HG2 THR 91 14.354 8.564 -6.328 747 HG22 THR 91 1HG2 THR 91 14.240 7.469 -7.706 748 HG23 THR 91 2HG2 THR 91 15.380 7.132 -6.404 749 H ASP 92 H ASP 92 14.955 3.858 -7.768 750 HA ASP 92 HA ASP 92 16.738 2.939 -5.702 751 HB2 ASP 92 2HB ASP 92 16.215 1.578 -7.698 752 HB3 ASP 92 1HB ASP 92 16.976 2.786 -8.724 753 H LYS 93 H LYS 93 18.600 3.912 -4.992 754 HA LYS 93 HA LYS 93 19.039 6.607 -6.011 755 HB2 LYS 93 2HB LYS 93 20.068 5.250 -3.519 756 HB3 LYS 93 1HB LYS 93 20.377 6.931 -3.943 757 HG2 LYS 93 2HG LYS 93 17.674 5.695 -3.416 758 HG3 LYS 93 1HG LYS 93 18.563 6.771 -2.336 759 HD2 LYS 93 2HD LYS 93 18.379 8.590 -3.929 760 HD3 LYS 93 1HD LYS 93 17.624 7.523 -5.113 761 HE2 LYS 93 2HE LYS 93 15.962 8.930 -4.002 762 HE3 LYS 93 1HE LYS 93 15.698 7.226 -3.634 763 HZ1 LYS 93 3HZ LYS 93 17.122 9.121 -1.848 764 HZ2 LYS 93 1HZ LYS 93 16.683 7.527 -1.493 765 HZ3 LYS 93 2HZ LYS 93 15.490 8.706 -1.691 766 H LYS 94 H LYS 94 20.696 3.578 -6.299 767 HA LYS 94 HA LYS 94 23.246 4.872 -6.875 768 HB2 LYS 94 2HB LYS 94 24.074 2.619 -7.409 769 HB3 LYS 94 1HB LYS 94 23.303 2.672 -5.830 770 HG2 LYS 94 2HG LYS 94 21.290 1.665 -6.767 771 HG3 LYS 94 1HG LYS 94 22.046 1.630 -8.361 772 HD2 LYS 94 2HD LYS 94 23.720 0.074 -7.592 773 HD3 LYS 94 1HD LYS 94 23.138 0.206 -5.929 774 HE2 LYS 94 2HE LYS 94 21.616 -0.928 -8.281 775 HE3 LYS 94 1HE LYS 94 22.331 -1.850 -6.956 776 HZ1 LYS 94 3HZ LYS 94 19.988 -1.565 -6.583 777 HZ2 LYS 94 1HZ LYS 94 20.113 0.116 -6.740 778 HZ3 LYS 94 2HZ LYS 94 20.839 -0.670 -5.430 779 H ASN 95 H ASN 95 20.533 3.543 -8.666 780 HA ASN 95 HA ASN 95 21.841 4.190 -11.220 781 HB2 ASN 95 2HB ASN 95 19.332 2.618 -10.594 782 HB3 ASN 95 1HB ASN 95 19.908 2.951 -12.225 783 HD21 ASN 95 1HD2 ASN 95 19.563 0.404 -10.789 784 HD22 ASN 95 2HD2 ASN 95 21.106 -0.373 -10.856 785 H ASN 96 H ASN 96 19.461 5.391 -9.048 786 HA ASN 96 HA ASN 96 18.199 7.282 -9.030 787 HB2 ASN 96 2HB ASN 96 19.816 7.955 -11.500 788 HB3 ASN 96 1HB ASN 96 18.666 9.062 -10.762 789 HD21 ASN 96 1HD2 ASN 96 20.781 6.888 -8.978 790 HD22 ASN 96 2HD2 ASN 96 21.749 8.126 -8.274 791 H GLN 97 H GLN 97 17.293 4.857 -10.368 792 HA GLN 97 HA GLN 97 15.293 6.008 -12.217 793 HB2 GLN 97 2HB GLN 97 16.456 3.207 -12.234 794 HB3 GLN 97 1HB GLN 97 15.162 3.768 -13.285 795 HG2 GLN 97 2HG GLN 97 17.998 4.795 -13.236 796 HG3 GLN 97 1HG GLN 97 17.284 3.750 -14.462 797 HE21 GLN 97 1HE2 GLN 97 18.501 6.396 -14.733 798 HE22 GLN 97 2HE2 GLN 97 17.295 7.410 -15.440 799 H VAL 98 H VAL 98 13.142 5.169 -12.098 800 HA VAL 98 HA VAL 98 12.490 4.250 -9.384 801 HB VAL 98 HB VAL 98 11.445 6.343 -10.023 802 HG11 VAL 98 1HG1 VAL 98 10.135 4.814 -12.277 803 HG12 VAL 98 2HG1 VAL 98 11.396 6.035 -12.449 804 HG13 VAL 98 3HG1 VAL 98 9.807 6.489 -11.832 805 HG21 VAL 98 3HG2 VAL 98 9.112 5.793 -9.528 806 HG22 VAL 98 1HG2 VAL 98 10.211 4.850 -8.524 807 HG23 VAL 98 2HG2 VAL 98 9.419 4.099 -9.909 808 H TYR 99 H TYR 99 11.927 2.224 -9.042 809 HA TYR 99 HA TYR 99 10.824 0.568 -11.214 810 HB2 TYR 99 2HB TYR 99 12.791 -0.342 -10.087 811 HB3 TYR 99 1HB TYR 99 12.010 -0.177 -8.520 812 HD1 TYR 99 HD2 TYR 99 12.161 -2.144 -11.619 813 HD2 TYR 99 HD1 TYR 99 10.310 -1.776 -7.800 814 HE1 TYR 99 HE2 TYR 99 11.297 -4.436 -11.821 815 HE2 TYR 99 HE1 TYR 99 9.449 -4.070 -7.991 816 HH TYR 99 HH TYR 99 10.598 -6.274 -10.186 817 H TYR 100 H TYR 100 8.701 -0.030 -11.186 818 HA TYR 100 HA TYR 100 7.041 0.897 -8.964 819 HB2 TYR 100 2HB TYR 100 6.139 -0.386 -11.556 820 HB3 TYR 100 1HB TYR 100 5.154 0.542 -10.429 821 HD1 TYR 100 HD2 TYR 100 6.289 3.008 -9.952 822 HD2 TYR 100 HD1 TYR 100 6.668 0.707 -13.517 823 HE1 TYR 100 HE2 TYR 100 6.791 5.054 -11.217 824 HE2 TYR 100 HE1 TYR 100 7.178 2.748 -14.785 825 HH TYR 100 HH TYR 100 6.724 5.225 -14.556 826 H LYS 101 H LYS 101 6.376 -0.437 -7.372 827 HA LYS 101 HA LYS 101 6.163 -3.320 -7.969 828 HB2 LYS 101 2HB LYS 101 8.102 -2.866 -6.507 829 HB3 LYS 101 1HB LYS 101 7.030 -2.108 -5.335 830 HG2 LYS 101 2HG LYS 101 7.568 -4.381 -4.657 831 HG3 LYS 101 1HG LYS 101 5.850 -4.236 -5.035 832 HD2 LYS 101 2HD LYS 101 6.385 -5.124 -7.339 833 HD3 LYS 101 1HD LYS 101 8.014 -5.464 -6.752 834 HE2 LYS 101 2HE LYS 101 7.112 -6.971 -5.066 835 HE3 LYS 101 1HE LYS 101 5.467 -6.585 -5.574 836 HZ1 LYS 101 3HZ LYS 101 6.109 -8.644 -6.559 837 HZ2 LYS 101 1HZ LYS 101 7.541 -7.983 -7.173 838 HZ3 LYS 101 2HZ LYS 101 6.049 -7.485 -7.782 839 H LEU 102 H LEU 102 4.288 -4.263 -7.543 840 HA LEU 102 HA LEU 102 2.205 -2.750 -6.140 841 HB2 LEU 102 2HB LEU 102 2.111 -5.147 -7.974 842 HB3 LEU 102 1HB LEU 102 0.718 -4.629 -7.045 843 HG LEU 102 HG LEU 102 0.523 -3.790 -9.295 844 HD11 LEU 102 1HD1 LEU 102 0.246 -1.419 -8.858 845 HD12 LEU 102 2HD1 LEU 102 1.262 -1.543 -7.423 846 HD13 LEU 102 3HD1 LEU 102 -0.296 -2.372 -7.474 847 HD21 LEU 102 3HD2 LEU 102 3.199 -2.453 -8.859 848 HD22 LEU 102 1HD2 LEU 102 2.145 -2.218 -10.255 849 HD23 LEU 102 2HD2 LEU 102 2.867 -3.796 -9.953 850 H LEU 103 H LEU 103 1.927 -3.151 -4.042 851 HA LEU 103 HA LEU 103 2.702 -5.767 -2.955 852 HB2 LEU 103 2HB LEU 103 2.034 -3.179 -1.545 853 HB3 LEU 103 1HB LEU 103 2.514 -4.666 -0.745 854 HG LEU 103 HG LEU 103 4.230 -3.010 -2.607 855 HD11 LEU 103 1HD1 LEU 103 4.396 -3.498 0.368 856 HD12 LEU 103 2HD1 LEU 103 3.894 -2.000 -0.415 857 HD13 LEU 103 3HD1 LEU 103 5.549 -2.576 -0.598 858 HD21 LEU 103 3HD2 LEU 103 6.037 -4.560 -2.025 859 HD22 LEU 103 1HD2 LEU 103 4.724 -5.391 -2.858 860 HD23 LEU 103 2HD2 LEU 103 4.899 -5.551 -1.110 861 H GLU 104 H GLU 104 1.026 -7.140 -3.268 862 HA GLU 104 HA GLU 104 -1.694 -6.375 -2.641 863 HB2 GLU 104 2HB GLU 104 -2.161 -8.824 -3.119 864 HB3 GLU 104 1HB GLU 104 -1.491 -7.889 -4.448 865 HG2 GLU 104 2HG GLU 104 0.765 -8.815 -3.848 866 HG3 GLU 104 1HG GLU 104 -0.054 -9.888 -2.710 867 H VAL 105 H VAL 105 -2.457 -6.316 -0.642 868 HA VAL 105 HA VAL 105 -1.323 -8.125 1.408 869 HB VAL 105 HB VAL 105 -1.514 -6.340 3.068 870 HG11 VAL 105 1HG1 VAL 105 0.043 -5.462 0.629 871 HG12 VAL 105 2HG1 VAL 105 0.613 -6.546 1.897 872 HG13 VAL 105 3HG1 VAL 105 0.281 -4.855 2.268 873 HG21 VAL 105 3HG2 VAL 105 -2.066 -4.036 2.403 874 HG22 VAL 105 1HG2 VAL 105 -3.409 -5.135 2.100 875 HG23 VAL 105 2HG2 VAL 105 -2.398 -4.591 0.763 876 H SER 106 H SER 106 -2.800 -7.903 3.486 877 HA SER 106 HA SER 106 -5.645 -7.659 2.891 878 HB2 SER 106 2HB SER 106 -5.190 -10.013 2.336 879 HB3 SER 106 1HB SER 106 -4.444 -10.255 3.916 880 HG SER 106 HG SER 106 -6.821 -10.812 3.507 881 H GLY 107 H GLY 107 -6.897 -8.320 5.051 882 HA2 GLY 107 2HA GLY 107 -6.720 -8.487 7.467 883 HA3 GLY 107 1HA GLY 107 -5.324 -7.429 7.399 884 H PHE 108 H PHE 108 -7.307 -5.942 5.321 885 HA PHE 108 HA PHE 108 -8.043 -3.879 7.140 886 HB2 PHE 108 2HB PHE 108 -9.026 -4.379 4.315 887 HB3 PHE 108 1HB PHE 108 -9.237 -2.884 5.216 888 HD1 PHE 108 HD2 PHE 108 -7.270 -1.463 5.727 889 HD2 PHE 108 HD1 PHE 108 -6.977 -4.885 3.210 890 HE1 PHE 108 HE2 PHE 108 -5.128 -0.634 4.853 891 HE2 PHE 108 HE1 PHE 108 -4.842 -4.053 2.327 892 HZ PHE 108 HZ PHE 108 -3.909 -1.928 3.150 893 H LYS 109 H LYS 109 -9.928 -6.368 5.466 894 HA LYS 109 HA LYS 109 -12.027 -6.268 7.474 895 HB2 LYS 109 2HB LYS 109 -12.474 -4.500 5.625 896 HB3 LYS 109 1HB LYS 109 -12.782 -5.867 4.569 897 HG2 LYS 109 2HG LYS 109 -14.858 -4.956 5.416 898 HG3 LYS 109 1HG LYS 109 -14.615 -6.585 6.042 899 HD2 LYS 109 2HD LYS 109 -13.902 -5.712 8.181 900 HD3 LYS 109 1HD LYS 109 -13.937 -4.059 7.563 901 HE2 LYS 109 2HE LYS 109 -16.351 -5.868 7.784 902 HE3 LYS 109 1HE LYS 109 -15.904 -4.646 8.974 903 HZ1 LYS 109 3HZ LYS 109 -17.614 -3.923 7.353 904 HZ2 LYS 109 1HZ LYS 109 -16.464 -4.042 6.122 905 HZ3 LYS 109 2HZ LYS 109 -16.245 -2.928 7.375 906 H SER 110 H SER 110 -13.815 -8.001 6.719 907 HA SER 110 HA SER 110 -12.815 -10.037 4.925 908 HB2 SER 110 2HB SER 110 -12.861 -11.859 6.640 909 HB3 SER 110 1HB SER 110 -11.570 -10.686 6.893 910 HG SER 110 HG SER 110 -12.916 -9.685 8.470 911 H ASN 111 H ASN 111 -14.683 -9.998 3.745 912 HA ASN 111 HA ASN 111 -17.096 -11.016 5.124 913 HB2 ASN 111 2HB ASN 111 -17.034 -8.936 2.915 914 HB3 ASN 111 1HB ASN 111 -18.492 -9.652 3.588 915 HD21 ASN 111 1HD2 ASN 111 -17.303 -9.618 6.322 916 HD22 ASN 111 2HD2 ASN 111 -17.408 -7.975 6.827 917 HA PRO 112 HA PRO 112 -15.907 -13.746 1.486 918 HB2 PRO 112 2HB PRO 112 -16.374 -15.952 3.381 919 HB3 PRO 112 1HB PRO 112 -14.952 -15.611 2.393 920 HG2 PRO 112 2HG PRO 112 -14.932 -15.305 5.068 921 HG3 PRO 112 1HG PRO 112 -14.004 -14.238 3.996 922 HD2 PRO 112 2HD PRO 112 -16.654 -13.746 5.333 923 HD3 PRO 112 1HD PRO 112 -15.259 -12.655 5.166 924 H TYR 113 H TYR 113 -18.154 -15.065 3.917 925 HA TYR 113 HA TYR 113 -20.104 -15.772 1.913 926 HB2 TYR 113 2HB TYR 113 -21.446 -16.496 3.959 927 HB3 TYR 113 1HB TYR 113 -19.907 -17.311 3.709 928 HD1 TYR 113 HD1 TYR 113 -17.982 -16.806 5.175 929 HD2 TYR 113 HD2 TYR 113 -21.812 -15.084 5.899 930 HE1 TYR 113 HE1 TYR 113 -17.269 -16.193 7.445 931 HE2 TYR 113 HE2 TYR 113 -21.106 -14.471 8.173 932 HH TYR 113 HH TYR 113 -19.422 -15.205 9.849 933 H LEU 114 H LEU 114 -19.517 -13.029 3.909 934 HA LEU 114 HA LEU 114 -22.213 -12.140 4.180 935 HB2 LEU 114 2HB LEU 114 -19.590 -10.696 4.521 936 HB3 LEU 114 1HB LEU 114 -21.149 -9.973 4.880 937 HG LEU 114 HG LEU 114 -19.983 -12.411 6.242 938 HD11 LEU 114 1HD1 LEU 114 -18.824 -10.375 6.882 939 HD12 LEU 114 2HD1 LEU 114 -19.822 -10.962 8.212 940 HD13 LEU 114 3HD1 LEU 114 -20.360 -9.589 7.245 941 HD21 LEU 114 3HD2 LEU 114 -22.556 -10.914 6.757 942 HD22 LEU 114 1HD2 LEU 114 -21.900 -12.203 7.768 943 HD23 LEU 114 2HD2 LEU 114 -22.405 -12.550 6.116 944 H GLU 115 H GLU 115 -19.923 -11.867 1.589 945 HA GLU 115 HA GLU 115 -20.935 -9.560 0.325 946 HB2 GLU 115 2HB GLU 115 -19.377 -11.934 -0.627 947 HB3 GLU 115 1HB GLU 115 -20.047 -10.822 -1.814 948 HG2 GLU 115 2HG GLU 115 -18.143 -10.109 0.416 949 HG3 GLU 115 1HG GLU 115 -17.743 -10.252 -1.295 950 H HIS 116 H HIS 116 -22.619 -12.343 0.964 951 HA HIS 116 HA HIS 116 -24.195 -12.823 -1.267 952 HB2 HIS 116 2HB HIS 116 -25.941 -13.577 0.351 953 HB3 HIS 116 1HB HIS 116 -24.345 -14.241 0.679 954 HD1 HIS 116 HD1 HIS 116 -23.961 -14.350 3.108 955 HD2 HIS 116 HD2 HIS 116 -26.163 -10.980 2.081 956 HE1 HIS 116 HE1 HIS 116 -24.410 -13.155 5.267 957 HE2 HIS 116 HE2 HIS 116 -25.594 -11.039 4.604 958 H HIS 117 H HIS 117 -23.963 -9.901 0.398 959 HA HIS 117 HA HIS 117 -26.625 -8.951 -0.071 960 HB2 HIS 117 2HB HIS 117 -25.613 -6.693 0.476 961 HB3 HIS 117 1HB HIS 117 -25.486 -7.920 1.729 962 HD1 HIS 117 HD1 HIS 117 -23.308 -7.758 2.859 963 HD2 HIS 117 HD2 HIS 117 -22.983 -6.867 -1.188 964 HE1 HIS 117 HE1 HIS 117 -20.886 -7.241 2.477 965 HE2 HIS 117 HE2 HIS 117 -20.682 -6.885 0.001 966 H HIS 118 H HIS 118 -24.440 -9.776 -2.326 967 HA HIS 118 HA HIS 118 -24.564 -7.619 -4.174 968 HB2 HIS 118 2HB HIS 118 -24.296 -10.598 -4.652 969 HB3 HIS 118 1HB HIS 118 -24.145 -9.386 -5.916 970 HD1 HIS 118 HD1 HIS 118 -21.980 -11.462 -4.423 971 HD2 HIS 118 HD2 HIS 118 -22.089 -7.313 -4.503 972 HE1 HIS 118 HE1 HIS 118 -19.627 -10.721 -3.984 973 HE2 HIS 118 HE2 HIS 118 -19.768 -8.221 -3.821 974 H HIS 119 H HIS 119 -25.823 -7.695 -6.254 975 HA HIS 119 HA HIS 119 -27.759 -7.729 -7.448 976 HB2 HIS 119 2HB HIS 119 -27.841 -10.177 -6.864 977 HB3 HIS 119 1HB HIS 119 -28.834 -9.762 -5.473 978 HD1 HIS 119 HD1 HIS 119 -28.985 -10.391 -9.095 979 HD2 HIS 119 HD2 HIS 119 -31.459 -8.764 -6.174 980 HE1 HIS 119 HE1 HIS 119 -31.279 -10.332 -10.109 981 HE2 HIS 119 HE2 HIS 119 -32.723 -9.206 -8.388 982 H HIS 120 H HIS 120 -28.111 -7.594 -3.938 983 HA HIS 120 HA HIS 120 -30.509 -6.240 -3.665 984 HB2 HIS 120 2HB HIS 120 -29.394 -7.074 -1.723 985 HB3 HIS 120 1HB HIS 120 -27.946 -6.137 -2.068 986 HD1 HIS 120 HD1 HIS 120 -27.920 -3.673 -1.351 987 HD2 HIS 120 HD2 HIS 120 -31.473 -5.640 -0.461 988 HE1 HIS 120 HE1 HIS 120 -29.173 -2.139 0.192 989 HE2 HIS 120 HE2 HIS 120 -31.294 -3.365 0.754 990 H HIS 121 H HIS 121 -31.200 -4.226 -4.128 991 HA HIS 121 HA HIS 121 -29.195 -2.180 -4.880 992 HB2 HIS 121 2HB HIS 121 -31.998 -2.576 -5.950 993 HB3 HIS 121 1HB HIS 121 -30.962 -1.211 -6.351 994 HD1 HIS 121 HD1 HIS 121 -32.071 -4.035 -7.945 995 HD2 HIS 121 HD2 HIS 121 -28.241 -2.595 -7.235 996 HE1 HIS 121 HE1 HIS 121 -30.617 -5.112 -9.678 997 HE2 HIS 121 HE2 HIS 121 -28.341 -4.104 -9.328 Start of MODEL 8 1 H1 MET 1 1H MET 1 20.529 -9.046 2.314 2 H2 MET 1 2H MET 1 22.002 -9.864 2.368 3 H3 MET 1 3H MET 1 21.826 -8.504 1.377 4 HA MET 1 HA MET 1 21.526 -7.086 3.283 5 HB2 MET 1 2HB MET 1 22.013 -9.620 4.871 6 HB3 MET 1 1HB MET 1 21.924 -8.000 5.552 7 HG2 MET 1 2HG MET 1 19.705 -9.505 4.186 8 HG3 MET 1 1HG MET 1 19.837 -9.127 5.905 9 HE1 MET 1 3HE MET 1 17.251 -8.504 4.163 10 HE2 MET 1 1HE MET 1 16.849 -6.882 4.727 11 HE3 MET 1 2HE MET 1 17.382 -8.108 5.877 12 H LEU 2 H LEU 2 23.858 -9.794 3.715 13 HA LEU 2 HA LEU 2 26.024 -7.879 4.025 14 HB2 LEU 2 2HB LEU 2 26.000 -10.901 4.134 15 HB3 LEU 2 1HB LEU 2 27.435 -9.925 4.375 16 HG LEU 2 HG LEU 2 26.664 -10.573 6.525 17 HD11 LEU 2 1HD1 LEU 2 27.446 -8.281 6.406 18 HD12 LEU 2 2HD1 LEU 2 26.170 -8.442 7.611 19 HD13 LEU 2 3HD1 LEU 2 25.813 -7.721 6.041 20 HD21 LEU 2 3HD2 LEU 2 23.937 -9.515 5.777 21 HD22 LEU 2 1HD2 LEU 2 24.405 -10.154 7.354 22 HD23 LEU 2 2HD2 LEU 2 24.384 -11.213 5.944 23 H SER 3 H SER 3 25.220 -10.532 1.772 24 HA SER 3 HA SER 3 27.378 -9.760 -0.022 25 HB2 SER 3 2HB SER 3 26.830 -12.151 0.264 26 HB3 SER 3 1HB SER 3 25.218 -11.860 -0.386 27 HG SER 3 HG SER 3 27.702 -11.548 -1.742 28 H GLN 4 H GLN 4 27.197 -8.344 -1.651 29 HA GLN 4 HA GLN 4 24.628 -7.104 -2.169 30 HB2 GLN 4 2HB GLN 4 25.962 -5.525 -3.579 31 HB3 GLN 4 1HB GLN 4 26.495 -5.622 -1.907 32 HG2 GLN 4 2HG GLN 4 28.346 -7.071 -2.562 33 HG3 GLN 4 1HG GLN 4 27.806 -7.019 -4.238 34 HE21 GLN 4 1HE2 GLN 4 29.291 -5.217 -1.656 35 HE22 GLN 4 2HE2 GLN 4 29.911 -3.944 -2.646 36 H ALA 5 H ALA 5 24.047 -9.415 -3.065 37 HA ALA 5 HA ALA 5 24.645 -9.592 -5.943 38 HB1 ALA 5 3HB ALA 5 24.960 -11.631 -4.625 39 HB2 ALA 5 1HB ALA 5 23.688 -11.838 -5.829 40 HB3 ALA 5 2HB ALA 5 23.266 -11.583 -4.134 41 H ASN 6 H ASN 6 23.028 -9.571 -7.521 42 HA ASN 6 HA ASN 6 20.883 -7.851 -7.213 43 HB2 ASN 6 2HB ASN 6 21.303 -10.046 -9.244 44 HB3 ASN 6 1HB ASN 6 20.010 -8.853 -9.357 45 HD21 ASN 6 1HD2 ASN 6 23.444 -9.359 -9.486 46 HD22 ASN 6 2HD2 ASN 6 23.833 -7.853 -10.235 47 H GLU 7 H GLU 7 20.874 -11.386 -7.000 48 HA GLU 7 HA GLU 7 18.145 -11.860 -6.745 49 HB2 GLU 7 2HB GLU 7 18.775 -13.958 -5.649 50 HB3 GLU 7 1HB GLU 7 19.820 -13.627 -7.026 51 HG2 GLU 7 2HG GLU 7 21.495 -12.687 -5.390 52 HG3 GLU 7 1HG GLU 7 20.479 -13.336 -4.103 53 H ASP 8 H ASP 8 20.405 -10.646 -4.354 54 HA ASP 8 HA ASP 8 18.661 -11.028 -2.104 55 HB2 ASP 8 2HB ASP 8 21.141 -10.951 -1.909 56 HB3 ASP 8 1HB ASP 8 21.098 -9.251 -2.360 57 H PHE 9 H PHE 9 19.656 -8.205 -4.048 58 HA PHE 9 HA PHE 9 18.087 -6.303 -2.687 59 HB2 PHE 9 2HB PHE 9 19.218 -6.318 -5.487 60 HB3 PHE 9 1HB PHE 9 18.351 -4.938 -4.818 61 HD1 PHE 9 HD1 PHE 9 19.289 -3.685 -2.909 62 HD2 PHE 9 HD2 PHE 9 21.466 -6.815 -4.816 63 HE1 PHE 9 HE1 PHE 9 21.363 -2.878 -1.861 64 HE2 PHE 9 HE2 PHE 9 23.540 -6.009 -3.771 65 HZ PHE 9 HZ PHE 9 23.491 -4.042 -2.288 66 H LYS 10 H LYS 10 17.354 -8.109 -5.707 67 HA LYS 10 HA LYS 10 14.812 -7.035 -6.156 68 HB2 LYS 10 2HB LYS 10 14.318 -9.005 -7.478 69 HB3 LYS 10 1HB LYS 10 15.989 -8.536 -7.754 70 HG2 LYS 10 2HG LYS 10 16.811 -10.323 -6.436 71 HG3 LYS 10 1HG LYS 10 15.209 -10.681 -5.795 72 HD2 LYS 10 2HD LYS 10 16.069 -11.017 -8.675 73 HD3 LYS 10 1HD LYS 10 15.900 -12.315 -7.490 74 HE2 LYS 10 2HE LYS 10 13.489 -11.661 -7.244 75 HE3 LYS 10 1HE LYS 10 13.715 -10.544 -8.589 76 HZ1 LYS 10 3HZ LYS 10 14.381 -12.468 -9.955 77 HZ2 LYS 10 1HZ LYS 10 12.791 -12.589 -9.390 78 HZ3 LYS 10 2HZ LYS 10 14.022 -13.494 -8.665 79 H LYS 11 H LYS 11 15.815 -9.699 -4.070 80 HA LYS 11 HA LYS 11 13.296 -10.517 -3.160 81 HB2 LYS 11 2HB LYS 11 15.198 -11.899 -2.763 82 HB3 LYS 11 1HB LYS 11 16.054 -10.615 -1.932 83 HG2 LYS 11 2HG LYS 11 13.498 -11.560 -0.737 84 HG3 LYS 11 1HG LYS 11 14.899 -12.629 -0.643 85 HD2 LYS 11 2HD LYS 11 16.194 -10.739 0.355 86 HD3 LYS 11 1HD LYS 11 14.707 -9.790 0.380 87 HE2 LYS 11 2HE LYS 11 13.672 -11.411 1.871 88 HE3 LYS 11 1HE LYS 11 15.115 -12.424 1.798 89 HZ1 LYS 11 3HZ LYS 11 15.084 -11.097 3.806 90 HZ2 LYS 11 1HZ LYS 11 14.978 -9.671 2.903 91 HZ3 LYS 11 2HZ LYS 11 16.375 -10.623 2.818 92 H ILE 12 H ILE 12 15.567 -8.132 -1.743 93 HA ILE 12 HA ILE 12 14.045 -7.333 0.437 94 HB ILE 12 HB ILE 12 15.871 -5.631 -1.275 95 HG12 ILE 12 2HG1 ILE 12 16.393 -7.135 1.309 96 HG13 ILE 12 1HG1 ILE 12 16.961 -7.611 -0.288 97 HG21 ILE 12 1HG2 ILE 12 16.045 -4.147 0.686 98 HG22 ILE 12 2HG2 ILE 12 14.807 -5.101 1.506 99 HG23 ILE 12 3HG2 ILE 12 14.405 -4.204 0.041 100 HD11 ILE 12 3HD1 ILE 12 17.755 -5.118 1.202 101 HD12 ILE 12 1HD1 ILE 12 18.317 -5.583 -0.405 102 HD13 ILE 12 2HD1 ILE 12 18.729 -6.574 0.995 103 H VAL 13 H VAL 13 13.938 -6.060 -2.892 104 HA VAL 13 HA VAL 13 12.003 -4.053 -2.394 105 HB VAL 13 HB VAL 13 12.619 -5.433 -5.017 106 HG11 VAL 13 1HG1 VAL 13 11.278 -2.783 -4.456 107 HG12 VAL 13 2HG1 VAL 13 10.505 -4.229 -5.107 108 HG13 VAL 13 3HG1 VAL 13 11.731 -3.382 -6.052 109 HG21 VAL 13 3HG2 VAL 13 14.110 -3.519 -5.436 110 HG22 VAL 13 1HG2 VAL 13 14.626 -4.459 -4.037 111 HG23 VAL 13 2HG2 VAL 13 13.792 -2.922 -3.806 112 H ASN 14 H ASN 14 11.625 -7.357 -3.742 113 HA ASN 14 HA ASN 14 8.763 -7.077 -3.924 114 HB2 ASN 14 2HB ASN 14 10.586 -9.460 -4.283 115 HB3 ASN 14 1HB ASN 14 8.834 -9.560 -4.445 116 HD21 ASN 14 1HD2 ASN 14 11.769 -8.372 -5.855 117 HD22 ASN 14 2HD2 ASN 14 11.091 -7.927 -7.376 118 H ASN 15 H ASN 15 10.872 -7.819 -1.356 119 HA ASN 15 HA ASN 15 8.770 -9.168 0.193 120 HB2 ASN 15 2HB ASN 15 11.681 -8.606 0.765 121 HB3 ASN 15 1HB ASN 15 10.579 -9.188 2.006 122 HD21 ASN 15 1HD2 ASN 15 10.456 -10.181 -1.365 123 HD22 ASN 15 2HD2 ASN 15 10.929 -11.812 -1.077 124 H ILE 16 H ILE 16 8.905 -6.172 -0.641 125 HA ILE 16 HA ILE 16 8.832 -4.792 1.878 126 HB ILE 16 HB ILE 16 7.851 -3.969 -0.865 127 HG12 ILE 16 2HG1 ILE 16 10.267 -3.126 0.769 128 HG13 ILE 16 1HG1 ILE 16 10.298 -4.186 -0.634 129 HG21 ILE 16 1HG2 ILE 16 7.644 -1.689 0.054 130 HG22 ILE 16 2HG2 ILE 16 7.982 -2.320 1.666 131 HG23 ILE 16 3HG2 ILE 16 6.521 -2.816 0.813 132 HD11 ILE 16 3HD1 ILE 16 9.521 -2.343 -2.038 133 HD12 ILE 16 1HD1 ILE 16 11.027 -1.952 -1.209 134 HD13 ILE 16 2HD1 ILE 16 9.502 -1.283 -0.628 135 H ARG 17 H ARG 17 7.110 -4.272 3.130 136 HA ARG 17 HA ARG 17 4.391 -5.007 2.417 137 HB2 ARG 17 2HB ARG 17 5.256 -7.149 3.142 138 HB3 ARG 17 1HB ARG 17 5.967 -6.431 4.571 139 HG2 ARG 17 2HG ARG 17 4.122 -7.478 5.433 140 HG3 ARG 17 1HG ARG 17 3.520 -5.835 5.198 141 HD2 ARG 17 2HD ARG 17 2.376 -6.465 3.187 142 HD3 ARG 17 1HD ARG 17 3.138 -8.058 3.188 143 HE ARG 17 HE ARG 17 1.498 -7.397 5.498 144 HH11 ARG 17 1HH1 ARG 17 1.655 -8.988 2.437 145 HH12 ARG 17 2HH1 ARG 17 0.371 -10.075 2.825 146 HH21 ARG 17 1HH2 ARG 17 -0.141 -8.806 5.974 147 HH22 ARG 17 2HH2 ARG 17 -0.629 -9.982 4.798 148 H LEU 18 H LEU 18 2.845 -4.010 3.786 149 HA LEU 18 HA LEU 18 3.772 -1.653 5.117 150 HB2 LEU 18 2HB LEU 18 1.288 -1.357 5.644 151 HB3 LEU 18 1HB LEU 18 1.780 -1.345 3.965 152 HG LEU 18 HG LEU 18 0.974 -3.677 3.716 153 HD11 LEU 18 1HD1 LEU 18 -0.022 -3.372 6.550 154 HD12 LEU 18 2HD1 LEU 18 1.230 -4.484 5.996 155 HD13 LEU 18 3HD1 LEU 18 -0.433 -4.688 5.450 156 HD21 LEU 18 3HD2 LEU 18 -1.440 -3.151 3.875 157 HD22 LEU 18 1HD2 LEU 18 -0.502 -1.866 3.114 158 HD23 LEU 18 2HD2 LEU 18 -1.038 -1.700 4.786 159 H LYS 19 H LYS 19 4.642 -4.129 6.437 160 HA LYS 19 HA LYS 19 3.669 -3.473 9.115 161 HB2 LYS 19 2HB LYS 19 2.422 -5.494 8.149 162 HB3 LYS 19 1HB LYS 19 3.951 -6.357 8.256 163 HG2 LYS 19 2HG LYS 19 2.482 -6.791 10.185 164 HG3 LYS 19 1HG LYS 19 4.010 -6.036 10.659 165 HD2 LYS 19 2HD LYS 19 2.914 -3.861 10.791 166 HD3 LYS 19 1HD LYS 19 1.393 -4.574 10.259 167 HE2 LYS 19 2HE LYS 19 1.281 -5.911 12.280 168 HE3 LYS 19 1HE LYS 19 2.856 -5.308 12.797 169 HZ1 LYS 19 3HZ LYS 19 1.933 -3.088 12.914 170 HZ2 LYS 19 1HZ LYS 19 1.053 -4.142 13.900 171 HZ3 LYS 19 2HZ LYS 19 0.422 -3.652 12.408 172 H ASP 20 H ASP 20 5.962 -5.569 7.339 173 HA ASP 20 HA ASP 20 7.914 -5.382 9.471 174 HB2 ASP 20 2HB ASP 20 9.159 -6.985 8.249 175 HB3 ASP 20 1HB ASP 20 7.481 -7.430 8.000 176 H THR 21 H THR 21 7.322 -3.902 6.371 177 HA THR 21 HA THR 21 9.998 -2.745 6.195 178 HB THR 21 HB THR 21 7.655 -2.432 4.298 179 HG1 THR 21 HG1 THR 21 8.529 -4.624 4.570 180 HG21 THR 21 3HG2 THR 21 9.279 -0.637 4.035 181 HG22 THR 21 1HG2 THR 21 9.387 -1.750 2.671 182 HG23 THR 21 2HG2 THR 21 10.597 -1.807 3.953 183 H PHE 22 H PHE 22 6.632 -1.542 6.366 184 HA PHE 22 HA PHE 22 7.503 0.891 7.664 185 HB2 PHE 22 2HB PHE 22 6.734 2.446 5.970 186 HB3 PHE 22 1HB PHE 22 7.939 1.378 5.261 187 HD1 PHE 22 HD1 PHE 22 7.235 -0.416 3.686 188 HD2 PHE 22 HD2 PHE 22 4.476 2.482 5.170 189 HE1 PHE 22 HE1 PHE 22 5.658 -0.992 1.887 190 HE2 PHE 22 HE2 PHE 22 2.904 1.905 3.373 191 HZ PHE 22 HZ PHE 22 3.490 0.165 1.730 192 H ASP 23 H ASP 23 5.659 2.356 8.148 193 HA ASP 23 HA ASP 23 3.006 1.050 8.100 194 HB2 ASP 23 2HB ASP 23 4.220 1.113 10.386 195 HB3 ASP 23 1HB ASP 23 3.940 2.849 10.350 196 H PHE 24 H PHE 24 1.727 2.257 6.767 197 HA PHE 24 HA PHE 24 2.500 5.020 6.222 198 HB2 PHE 24 2HB PHE 24 1.097 4.908 4.271 199 HB3 PHE 24 1HB PHE 24 2.045 3.430 4.348 200 HD1 PHE 24 HD1 PHE 24 0.884 1.362 5.414 201 HD2 PHE 24 HD2 PHE 24 -1.208 4.787 3.975 202 HE1 PHE 24 HE1 PHE 24 -1.175 0.029 5.223 203 HE2 PHE 24 HE2 PHE 24 -3.264 3.453 3.786 204 HZ PHE 24 HZ PHE 24 -3.252 1.073 4.413 205 H LYS 25 H LYS 25 1.297 6.815 6.655 206 HA LYS 25 HA LYS 25 -1.179 6.438 8.212 207 HB2 LYS 25 2HB LYS 25 0.490 7.564 9.519 208 HB3 LYS 25 1HB LYS 25 0.831 8.699 8.218 209 HG2 LYS 25 2HG LYS 25 -1.344 9.723 8.481 210 HG3 LYS 25 1HG LYS 25 -1.802 8.518 9.682 211 HD2 LYS 25 2HD LYS 25 0.479 10.477 10.007 212 HD3 LYS 25 1HD LYS 25 -1.144 10.711 10.659 213 HE2 LYS 25 2HE LYS 25 -0.877 8.579 11.928 214 HE3 LYS 25 1HE LYS 25 0.792 8.502 11.364 215 HZ1 LYS 25 3HZ LYS 25 1.243 10.579 12.485 216 HZ2 LYS 25 1HZ LYS 25 0.609 9.458 13.583 217 HZ3 LYS 25 2HZ LYS 25 -0.365 10.706 12.982 218 H LEU 26 H LEU 26 -3.037 7.468 7.666 219 HA LEU 26 HA LEU 26 -3.191 8.602 4.978 220 HB2 LEU 26 2HB LEU 26 -5.411 7.923 6.926 221 HB3 LEU 26 1HB LEU 26 -5.619 8.386 5.252 222 HG LEU 26 HG LEU 26 -5.953 6.051 5.323 223 HD11 LEU 26 1HD1 LEU 26 -3.131 6.524 4.374 224 HD12 LEU 26 2HD1 LEU 26 -4.607 6.745 3.435 225 HD13 LEU 26 3HD1 LEU 26 -4.136 5.131 3.969 226 HD21 LEU 26 3HD2 LEU 26 -3.370 5.778 6.866 227 HD22 LEU 26 1HD2 LEU 26 -4.408 4.457 6.330 228 HD23 LEU 26 2HD2 LEU 26 -4.996 5.608 7.529 229 H ALA 27 H ALA 27 -3.404 10.766 4.600 230 HA ALA 27 HA ALA 27 -3.188 12.664 6.676 231 HB1 ALA 27 3HB ALA 27 -3.496 14.358 4.959 232 HB2 ALA 27 1HB ALA 27 -4.085 13.133 3.834 233 HB3 ALA 27 2HB ALA 27 -2.411 13.088 4.389 234 H ALA 28 H ALA 28 -5.997 11.343 5.031 235 HA ALA 28 HA ALA 28 -7.834 13.225 6.268 236 HB1 ALA 28 3HB ALA 28 -8.281 12.349 4.023 237 HB2 ALA 28 1HB ALA 28 -9.586 11.954 5.142 238 HB3 ALA 28 2HB ALA 28 -8.412 10.719 4.681 239 H PHE 29 H PHE 29 -6.360 10.272 7.121 240 HA PHE 29 HA PHE 29 -8.131 9.992 9.459 241 HB2 PHE 29 2HB PHE 29 -7.096 7.630 7.860 242 HB3 PHE 29 1HB PHE 29 -8.169 7.573 9.251 243 HD1 PHE 29 HD1 PHE 29 -10.507 8.471 9.026 244 HD2 PHE 29 HD2 PHE 29 -7.933 7.931 5.674 245 HE1 PHE 29 HE1 PHE 29 -12.451 8.545 7.522 246 HE2 PHE 29 HE2 PHE 29 -9.876 8.006 4.167 247 HZ PHE 29 HZ PHE 29 -12.139 8.313 5.091 248 HA PRO 30 HA PRO 30 -3.526 10.292 10.284 249 HB2 PRO 30 2HB PRO 30 -3.699 11.944 12.447 250 HB3 PRO 30 1HB PRO 30 -3.692 12.528 10.779 251 HG2 PRO 30 2HG PRO 30 -6.026 12.055 12.608 252 HG3 PRO 30 1HG PRO 30 -5.701 13.443 11.550 253 HD2 PRO 30 2HD PRO 30 -7.412 11.490 10.837 254 HD3 PRO 30 1HD PRO 30 -6.383 12.306 9.641 255 H ASN 31 H ASN 31 -6.178 9.202 12.222 256 HA ASN 31 HA ASN 31 -4.287 7.861 14.059 257 HB2 ASN 31 2HB ASN 31 -7.113 8.791 14.622 258 HB3 ASN 31 1HB ASN 31 -6.115 7.867 15.740 259 HD21 ASN 31 1HD2 ASN 31 -3.685 9.344 14.860 260 HD22 ASN 31 2HD2 ASN 31 -3.793 10.871 15.653 261 H GLN 32 H GLN 32 -5.511 7.002 11.413 262 HA GLN 32 HA GLN 32 -6.631 4.448 12.387 263 HB2 GLN 32 2HB GLN 32 -7.345 5.942 9.854 264 HB3 GLN 32 1HB GLN 32 -7.887 4.313 10.234 265 HG2 GLN 32 2HG GLN 32 -8.498 6.784 11.846 266 HG3 GLN 32 1HG GLN 32 -9.597 5.992 10.718 267 HE21 GLN 32 1HE2 GLN 32 -9.834 6.481 13.606 268 HE22 GLN 32 2HE2 GLN 32 -10.100 4.933 14.321 269 H ASN 33 H ASN 33 -6.089 2.556 11.219 270 HA ASN 33 HA ASN 33 -3.674 2.777 9.539 271 HB2 ASN 33 2HB ASN 33 -4.121 0.902 11.875 272 HB3 ASN 33 1HB ASN 33 -2.796 0.741 10.726 273 HD21 ASN 33 1HD2 ASN 33 -2.274 3.531 10.432 274 HD22 ASN 33 2HD2 ASN 33 -1.561 4.070 11.906 275 H TYR 34 H TYR 34 -3.133 0.597 8.536 276 HA TYR 34 HA TYR 34 -4.988 -0.071 6.631 277 HB2 TYR 34 2HB TYR 34 -3.544 -2.258 6.440 278 HB3 TYR 34 1HB TYR 34 -2.826 -0.690 6.090 279 HD1 TYR 34 HD1 TYR 34 -3.022 -3.400 8.614 280 HD2 TYR 34 HD2 TYR 34 -1.074 0.206 7.448 281 HE1 TYR 34 HE1 TYR 34 -1.292 -3.783 10.323 282 HE2 TYR 34 HE2 TYR 34 0.654 -0.170 9.149 283 HH TYR 34 HH TYR 34 1.056 -1.340 11.123 284 H ASP 35 H ASP 35 -4.581 -1.715 9.762 285 HA ASP 35 HA ASP 35 -6.351 -3.881 9.020 286 HB2 ASP 35 2HB ASP 35 -4.429 -4.243 10.521 287 HB3 ASP 35 1HB ASP 35 -5.137 -3.147 11.699 288 H GLN 36 H GLN 36 -7.027 -0.741 9.810 289 HA GLN 36 HA GLN 36 -9.509 -1.456 11.257 290 HB2 GLN 36 2HB GLN 36 -7.824 1.034 11.589 291 HB3 GLN 36 1HB GLN 36 -9.378 0.762 12.368 292 HG2 GLN 36 2HG GLN 36 -8.423 -1.183 13.542 293 HG3 GLN 36 1HG GLN 36 -6.862 -0.848 12.791 294 HE21 GLN 36 1HE2 GLN 36 -5.660 0.901 13.500 295 HE22 GLN 36 2HE2 GLN 36 -6.036 1.772 14.944 296 H LEU 37 H LEU 37 -8.092 0.673 8.797 297 HA LEU 37 HA LEU 37 -10.592 2.147 8.536 298 HB2 LEU 37 2HB LEU 37 -8.145 3.075 8.498 299 HB3 LEU 37 1HB LEU 37 -8.178 2.606 6.812 300 HG LEU 37 HG LEU 37 -8.696 5.029 7.275 301 HD11 LEU 37 1HD1 LEU 37 -9.364 3.944 5.172 302 HD12 LEU 37 2HD1 LEU 37 -10.489 5.206 5.666 303 HD13 LEU 37 3HD1 LEU 37 -10.911 3.511 5.902 304 HD21 LEU 37 3HD2 LEU 37 -10.897 5.623 8.115 305 HD22 LEU 37 1HD2 LEU 37 -10.011 4.691 9.321 306 HD23 LEU 37 2HD2 LEU 37 -11.284 3.921 8.372 307 H LEU 38 H LEU 38 -11.968 2.106 6.827 308 HA LEU 38 HA LEU 38 -12.231 -0.217 5.288 309 HB2 LEU 38 2HB LEU 38 -13.498 2.506 5.014 310 HB3 LEU 38 1HB LEU 38 -13.917 1.170 3.960 311 HG LEU 38 HG LEU 38 -15.586 1.355 5.678 312 HD11 LEU 38 1HD1 LEU 38 -15.013 -0.900 4.963 313 HD12 LEU 38 2HD1 LEU 38 -15.510 -0.874 6.654 314 HD13 LEU 38 3HD1 LEU 38 -13.801 -1.012 6.238 315 HD21 LEU 38 3HD2 LEU 38 -14.280 2.545 7.369 316 HD22 LEU 38 1HD2 LEU 38 -13.356 1.079 7.702 317 HD23 LEU 38 2HD2 LEU 38 -15.083 1.136 8.059 318 HA PRO 39 HA PRO 39 -9.361 0.271 1.978 319 HB2 PRO 39 2HB PRO 39 -10.742 -1.125 0.020 320 HB3 PRO 39 1HB PRO 39 -9.756 -1.870 1.281 321 HG2 PRO 39 2HG PRO 39 -12.722 -1.464 1.183 322 HG3 PRO 39 1HG PRO 39 -11.804 -2.879 1.734 323 HD2 PRO 39 2HD PRO 39 -12.881 -1.160 3.481 324 HD3 PRO 39 1HD PRO 39 -11.292 -1.898 3.788 325 H SER 40 H SER 40 -12.775 0.733 1.022 326 HA SER 40 HA SER 40 -12.314 2.234 -1.295 327 HB2 SER 40 2HB SER 40 -14.705 2.370 0.562 328 HB3 SER 40 1HB SER 40 -14.665 2.927 -1.111 329 HG SER 40 HG SER 40 -15.394 0.944 -1.405 330 H GLN 41 H GLN 41 -12.428 3.260 2.077 331 HA GLN 41 HA GLN 41 -12.510 6.071 1.474 332 HB2 GLN 41 2HB GLN 41 -11.869 4.568 4.015 333 HB3 GLN 41 1HB GLN 41 -11.873 6.324 3.913 334 HG2 GLN 41 2HG GLN 41 -14.229 4.519 3.376 335 HG3 GLN 41 1HG GLN 41 -13.960 5.465 4.839 336 HE21 GLN 41 1HE2 GLN 41 -14.184 7.733 4.734 337 HE22 GLN 41 2HE2 GLN 41 -15.015 8.501 3.433 338 H ILE 42 H ILE 42 -9.919 3.785 2.363 339 HA ILE 42 HA ILE 42 -7.777 5.600 2.377 340 HB ILE 42 HB ILE 42 -7.750 2.687 1.534 341 HG12 ILE 42 2HG1 ILE 42 -7.187 4.004 4.211 342 HG13 ILE 42 1HG1 ILE 42 -8.594 3.021 3.817 343 HG21 ILE 42 1HG2 ILE 42 -5.345 2.747 2.046 344 HG22 ILE 42 2HG2 ILE 42 -5.458 4.481 2.347 345 HG23 ILE 42 3HG2 ILE 42 -5.760 3.846 0.731 346 HD11 ILE 42 3HD1 ILE 42 -6.990 1.770 5.126 347 HD12 ILE 42 1HD1 ILE 42 -5.739 2.070 3.921 348 HD13 ILE 42 2HD1 ILE 42 -7.140 1.080 3.509 349 H TYR 43 H TYR 43 -9.360 3.926 -0.291 350 HA TYR 43 HA TYR 43 -7.709 4.614 -2.426 351 HB2 TYR 43 2HB TYR 43 -9.665 3.082 -2.536 352 HB3 TYR 43 1HB TYR 43 -10.739 4.468 -2.406 353 HD1 TYR 43 HD1 TYR 43 -8.141 2.916 -4.566 354 HD2 TYR 43 HD2 TYR 43 -11.392 5.668 -4.355 355 HE1 TYR 43 HE1 TYR 43 -8.123 3.119 -7.015 356 HE2 TYR 43 HE2 TYR 43 -11.375 5.876 -6.807 357 HH TYR 43 HH TYR 43 -9.519 3.755 -8.815 358 H LYS 44 H LYS 44 -10.084 6.555 -0.705 359 HA LYS 44 HA LYS 44 -9.985 8.789 -2.532 360 HB2 LYS 44 2HB LYS 44 -11.142 8.501 0.252 361 HB3 LYS 44 1HB LYS 44 -11.308 9.946 -0.737 362 HG2 LYS 44 2HG LYS 44 -12.325 7.211 -1.506 363 HG3 LYS 44 1HG LYS 44 -13.303 8.486 -0.775 364 HD2 LYS 44 2HD LYS 44 -12.774 9.949 -2.704 365 HD3 LYS 44 1HD LYS 44 -11.882 8.618 -3.446 366 HE2 LYS 44 2HE LYS 44 -13.918 7.287 -3.555 367 HE3 LYS 44 1HE LYS 44 -14.815 8.555 -2.718 368 HZ1 LYS 44 3HZ LYS 44 -13.532 8.828 -5.378 369 HZ2 LYS 44 1HZ LYS 44 -14.404 10.033 -4.575 370 HZ3 LYS 44 2HZ LYS 44 -15.187 8.628 -5.097 371 H ASN 45 H ASN 45 -8.242 7.796 0.325 372 HA ASN 45 HA ASN 45 -7.346 10.316 1.206 373 HB2 ASN 45 2HB ASN 45 -7.226 8.326 2.615 374 HB3 ASN 45 1HB ASN 45 -6.033 7.610 1.534 375 HD21 ASN 45 1HD2 ASN 45 -3.929 8.307 1.622 376 HD22 ASN 45 2HD2 ASN 45 -3.338 9.368 2.844 377 H TYR 46 H TYR 46 -6.353 8.449 -1.522 378 HA TYR 46 HA TYR 46 -3.754 9.329 -1.959 379 HB2 TYR 46 2HB TYR 46 -4.674 7.701 -3.445 380 HB3 TYR 46 1HB TYR 46 -5.996 8.769 -3.908 381 HD1 TYR 46 HD1 TYR 46 -2.238 8.916 -3.888 382 HD2 TYR 46 HD2 TYR 46 -5.842 9.634 -6.043 383 HE1 TYR 46 HE1 TYR 46 -0.928 9.706 -5.813 384 HE2 TYR 46 HE2 TYR 46 -4.537 10.421 -7.970 385 HH TYR 46 HH TYR 46 -2.279 11.397 -8.385 386 H TYR 47 H TYR 47 -6.773 11.071 -2.359 387 HA TYR 47 HA TYR 47 -5.524 13.314 -3.724 388 HB2 TYR 47 2HB TYR 47 -8.327 13.246 -2.594 389 HB3 TYR 47 1HB TYR 47 -7.718 14.206 -3.940 390 HD1 TYR 47 HD2 TYR 47 -6.722 12.699 -5.946 391 HD2 TYR 47 HD1 TYR 47 -9.623 11.407 -3.108 392 HE1 TYR 47 HE2 TYR 47 -7.465 10.946 -7.507 393 HE2 TYR 47 HE1 TYR 47 -10.368 9.652 -4.654 394 HH TYR 47 HH TYR 47 -8.643 8.575 -7.183 395 H GLN 48 H GLN 48 -5.475 12.328 -0.616 396 HA GLN 48 HA GLN 48 -5.719 15.027 0.556 397 HB2 GLN 48 2HB GLN 48 -5.881 12.311 1.882 398 HB3 GLN 48 1HB GLN 48 -6.003 13.852 2.722 399 HG2 GLN 48 2HG GLN 48 -7.891 12.941 0.554 400 HG3 GLN 48 1HG GLN 48 -8.186 12.747 2.281 401 HE21 GLN 48 1HE2 GLN 48 -9.707 14.248 0.297 402 HE22 GLN 48 2HE2 GLN 48 -9.747 15.880 0.860 403 H GLY 49 H GLY 49 -3.737 12.049 0.879 404 HA2 GLY 49 2HA GLY 49 -1.233 12.866 0.580 405 HA3 GLY 49 1HA GLY 49 -1.587 13.604 2.135 406 H ILE 50 H ILE 50 0.358 11.478 1.371 407 HA ILE 50 HA ILE 50 -0.492 9.407 3.304 408 HB ILE 50 HB ILE 50 0.928 8.826 0.691 409 HG12 ILE 50 2HG1 ILE 50 -1.902 8.100 1.512 410 HG13 ILE 50 1HG1 ILE 50 -1.487 9.409 0.410 411 HG21 ILE 50 1HG2 ILE 50 1.601 7.332 2.512 412 HG22 ILE 50 2HG2 ILE 50 0.660 6.468 1.296 413 HG23 ILE 50 3HG2 ILE 50 -0.092 6.940 2.821 414 HD11 ILE 50 3HD1 ILE 50 -0.537 7.802 -1.154 415 HD12 ILE 50 1HD1 ILE 50 -2.220 7.427 -0.786 416 HD13 ILE 50 2HD1 ILE 50 -0.926 6.485 -0.046 417 H GLU 51 H GLU 51 0.994 9.206 4.913 418 HA GLU 51 HA GLU 51 3.802 9.916 4.321 419 HB2 GLU 51 2HB GLU 51 2.229 10.043 6.883 420 HB3 GLU 51 1HB GLU 51 3.988 10.039 6.890 421 HG2 GLU 51 2HG GLU 51 2.196 12.076 5.574 422 HG3 GLU 51 1HG GLU 51 3.162 12.302 7.031 423 H ILE 52 H ILE 52 5.496 8.589 4.985 424 HA ILE 52 HA ILE 52 4.716 5.779 5.474 425 HB ILE 52 HB ILE 52 7.174 6.848 4.061 426 HG12 ILE 52 2HG1 ILE 52 5.127 7.169 2.739 427 HG13 ILE 52 1HG1 ILE 52 6.162 5.944 2.012 428 HG21 ILE 52 1HG2 ILE 52 7.553 4.483 3.423 429 HG22 ILE 52 2HG2 ILE 52 6.237 4.011 4.499 430 HG23 ILE 52 3HG2 ILE 52 7.690 4.764 5.159 431 HD11 ILE 52 3HD1 ILE 52 3.816 5.313 1.920 432 HD12 ILE 52 1HD1 ILE 52 3.708 5.414 3.678 433 HD13 ILE 52 2HD1 ILE 52 4.735 4.194 2.925 434 H GLN 53 H GLN 53 5.078 5.275 7.607 435 HA GLN 53 HA GLN 53 7.388 6.261 9.040 436 HB2 GLN 53 2HB GLN 53 5.310 5.722 10.251 437 HB3 GLN 53 1HB GLN 53 5.444 4.043 9.751 438 HG2 GLN 53 2HG GLN 53 6.171 4.290 12.041 439 HG3 GLN 53 1HG GLN 53 7.530 3.828 11.021 440 HE21 GLN 53 1HE2 GLN 53 6.153 7.059 11.271 441 HE22 GLN 53 2HE2 GLN 53 7.548 7.787 11.982 442 H GLN 54 H GLN 54 9.241 5.632 8.007 443 HA GLN 54 HA GLN 54 9.457 3.005 6.807 444 HB2 GLN 54 2HB GLN 54 11.572 3.866 5.886 445 HB3 GLN 54 1HB GLN 54 10.225 4.955 5.584 446 HG2 GLN 54 2HG GLN 54 10.984 6.278 7.589 447 HG3 GLN 54 1HG GLN 54 12.439 5.283 7.597 448 HE21 GLN 54 1HE2 GLN 54 13.830 6.945 7.127 449 HE22 GLN 54 2HE2 GLN 54 13.861 7.749 5.599 450 H HIS 55 H HIS 55 10.672 1.311 7.455 451 HA HIS 55 HA HIS 55 12.340 1.619 9.883 452 HB2 HIS 55 2HB HIS 55 10.591 -0.672 8.988 453 HB3 HIS 55 1HB HIS 55 11.852 -0.880 10.198 454 HD1 HIS 55 HD1 HIS 55 11.119 -0.563 12.523 455 HD2 HIS 55 HD2 HIS 55 8.638 1.434 9.855 456 HE1 HIS 55 HE1 HIS 55 9.260 0.384 13.916 457 HE2 HIS 55 HE2 HIS 55 7.669 1.396 12.254 458 H LYS 56 H LYS 56 12.099 0.065 6.712 459 HA LYS 56 HA LYS 56 14.516 -1.470 7.059 460 HB2 LYS 56 2HB LYS 56 12.609 -1.081 4.768 461 HB3 LYS 56 1HB LYS 56 14.139 -1.912 4.532 462 HG2 LYS 56 2HG LYS 56 13.473 -3.506 6.330 463 HG3 LYS 56 1HG LYS 56 11.888 -2.725 6.357 464 HD2 LYS 56 2HD LYS 56 11.584 -3.278 3.980 465 HD3 LYS 56 1HD LYS 56 13.167 -4.065 3.962 466 HE2 LYS 56 2HE LYS 56 12.427 -5.763 5.454 467 HE3 LYS 56 1HE LYS 56 10.937 -4.894 5.821 468 HZ1 LYS 56 3HZ LYS 56 10.486 -6.695 4.323 469 HZ2 LYS 56 1HZ LYS 56 11.649 -6.146 3.225 470 HZ3 LYS 56 2HZ LYS 56 10.253 -5.235 3.504 471 H TYR 57 H TYR 57 15.840 -1.428 4.784 472 HA TYR 57 HA TYR 57 17.613 0.675 4.806 473 HB2 TYR 57 2HB TYR 57 16.856 -1.397 2.771 474 HB3 TYR 57 1HB TYR 57 18.008 -0.137 2.327 475 HD1 TYR 57 HD2 TYR 57 17.419 -2.694 5.015 476 HD2 TYR 57 HD1 TYR 57 20.259 -0.499 2.716 477 HE1 TYR 57 HE2 TYR 57 19.247 -3.989 6.031 478 HE2 TYR 57 HE1 TYR 57 22.083 -1.789 3.728 479 HH TYR 57 HH TYR 57 22.558 -3.087 5.651 480 H GLN 58 H GLN 58 16.353 2.651 4.906 481 HA GLN 58 HA GLN 58 15.321 3.492 2.287 482 HB2 GLN 58 2HB GLN 58 14.827 4.482 5.070 483 HB3 GLN 58 1HB GLN 58 14.577 5.570 3.704 484 HG2 GLN 58 2HG GLN 58 13.244 2.899 4.144 485 HG3 GLN 58 1HG GLN 58 12.497 4.489 4.312 486 HE21 GLN 58 1HE2 GLN 58 13.810 2.173 2.049 487 HE22 GLN 58 2HE2 GLN 58 13.087 2.852 0.638 488 H ASN 59 H ASN 59 17.301 3.585 1.357 489 HA ASN 59 HA ASN 59 18.631 6.078 1.354 490 HB2 ASN 59 2HB ASN 59 19.643 5.213 3.436 491 HB3 ASN 59 1HB ASN 59 20.176 3.769 2.584 492 HD21 ASN 59 1HD2 ASN 59 20.680 7.178 3.039 493 HD22 ASN 59 2HD2 ASN 59 22.231 7.243 2.279 494 H GLU 60 H GLU 60 18.967 2.610 0.703 495 HA GLU 60 HA GLU 60 20.365 3.025 -1.796 496 HB2 GLU 60 2HB GLU 60 20.801 1.069 -0.302 497 HB3 GLU 60 1HB GLU 60 19.180 0.480 -0.649 498 HG2 GLU 60 2HG GLU 60 20.784 -0.706 -1.997 499 HG3 GLU 60 1HG GLU 60 19.771 0.300 -3.030 500 H LEU 61 H LEU 61 17.076 2.340 -0.755 501 HA LEU 61 HA LEU 61 16.160 2.857 -3.496 502 HB2 LEU 61 2HB LEU 61 14.402 1.170 -3.307 503 HB3 LEU 61 1HB LEU 61 15.995 0.450 -3.206 504 HG LEU 61 HG LEU 61 14.360 1.042 -0.735 505 HD11 LEU 61 1HD1 LEU 61 13.629 -1.295 -0.772 506 HD12 LEU 61 2HD1 LEU 61 14.374 -1.506 -2.358 507 HD13 LEU 61 3HD1 LEU 61 13.015 -0.399 -2.160 508 HD21 LEU 61 3HD2 LEU 61 16.755 0.626 -0.394 509 HD22 LEU 61 1HD2 LEU 61 16.615 -0.906 -1.257 510 HD23 LEU 61 2HD2 LEU 61 15.774 -0.675 0.277 511 H ASP 62 H ASP 62 14.273 4.054 -3.672 512 HA ASP 62 HA ASP 62 13.453 5.442 -1.214 513 HB2 ASP 62 2HB ASP 62 14.251 6.546 -3.456 514 HB3 ASP 62 1HB ASP 62 12.611 6.223 -3.998 515 H ILE 63 H ILE 63 11.548 4.919 -0.250 516 HA ILE 63 HA ILE 63 9.576 3.364 -1.804 517 HB ILE 63 HB ILE 63 10.045 3.463 1.184 518 HG12 ILE 63 2HG1 ILE 63 10.348 1.208 -0.824 519 HG13 ILE 63 1HG1 ILE 63 11.673 2.128 -0.124 520 HG21 ILE 63 1HG2 ILE 63 7.654 3.275 0.750 521 HG22 ILE 63 2HG2 ILE 63 8.288 1.746 1.358 522 HG23 ILE 63 3HG2 ILE 63 7.945 1.937 -0.361 523 HD11 ILE 63 3HD1 ILE 63 11.430 -0.030 0.952 524 HD12 ILE 63 1HD1 ILE 63 9.765 0.356 1.383 525 HD13 ILE 63 2HD1 ILE 63 11.094 1.275 2.090 526 H LYS 64 H LYS 64 8.164 4.805 -2.655 527 HA LYS 64 HA LYS 64 6.504 6.295 -0.720 528 HB2 LYS 64 2HB LYS 64 7.329 7.232 -3.484 529 HB3 LYS 64 1HB LYS 64 6.116 8.024 -2.488 530 HG2 LYS 64 2HG LYS 64 9.043 7.715 -1.814 531 HG3 LYS 64 1HG LYS 64 8.244 9.191 -2.360 532 HD2 LYS 64 2HD LYS 64 6.854 9.195 -0.341 533 HD3 LYS 64 1HD LYS 64 7.619 7.699 0.197 534 HE2 LYS 64 2HE LYS 64 9.798 8.877 0.254 535 HE3 LYS 64 1HE LYS 64 8.974 10.372 -0.192 536 HZ1 LYS 64 3HZ LYS 64 8.570 8.788 2.286 537 HZ2 LYS 64 1HZ LYS 64 7.629 10.126 1.850 538 HZ3 LYS 64 2HZ LYS 64 9.278 10.315 2.164 539 H ILE 65 H ILE 65 4.259 6.273 -1.128 540 HA ILE 65 HA ILE 65 3.402 4.113 -2.921 541 HB ILE 65 HB ILE 65 1.839 5.569 -0.773 542 HG12 ILE 65 2HG1 ILE 65 3.072 2.794 -0.772 543 HG13 ILE 65 1HG1 ILE 65 3.656 4.178 0.148 544 HG21 ILE 65 1HG2 ILE 65 0.383 4.722 -2.545 545 HG22 ILE 65 2HG2 ILE 65 0.159 3.800 -1.059 546 HG23 ILE 65 3HG2 ILE 65 1.101 3.119 -2.386 547 HD11 ILE 65 3HD1 ILE 65 0.982 2.835 0.506 548 HD12 ILE 65 1HD1 ILE 65 1.594 4.198 1.443 549 HD13 ILE 65 2HD1 ILE 65 2.397 2.632 1.539 550 H ILE 66 H ILE 66 2.530 4.552 -4.842 551 HA ILE 66 HA ILE 66 1.838 7.209 -5.665 552 HB ILE 66 HB ILE 66 1.392 4.563 -7.072 553 HG12 ILE 66 2HG1 ILE 66 3.581 6.636 -7.419 554 HG13 ILE 66 1HG1 ILE 66 3.770 5.065 -6.648 555 HG21 ILE 66 1HG2 ILE 66 -0.128 6.259 -7.932 556 HG22 ILE 66 2HG2 ILE 66 1.124 5.902 -9.120 557 HG23 ILE 66 3HG2 ILE 66 1.217 7.378 -8.158 558 HD11 ILE 66 3HD1 ILE 66 4.643 5.035 -8.901 559 HD12 ILE 66 1HD1 ILE 66 3.081 5.551 -9.537 560 HD13 ILE 66 2HD1 ILE 66 3.244 3.969 -8.772 561 H ASN 67 H ASN 67 -0.191 4.256 -5.820 562 HA ASN 67 HA ASN 67 -2.453 5.629 -4.624 563 HB2 ASN 67 2HB ASN 67 -2.260 6.178 -7.193 564 HB3 ASN 67 1HB ASN 67 -2.893 4.551 -7.405 565 HD21 ASN 67 1HD2 ASN 67 -4.109 7.025 -8.174 566 HD22 ASN 67 2HD2 ASN 67 -5.612 7.131 -7.327 567 H PHE 68 H PHE 68 -4.420 4.120 -4.595 568 HA PHE 68 HA PHE 68 -3.533 1.323 -4.240 569 HB2 PHE 68 2HB PHE 68 -5.890 2.712 -2.928 570 HB3 PHE 68 1HB PHE 68 -5.285 1.098 -2.568 571 HD1 PHE 68 HD2 PHE 68 -3.249 0.795 -1.259 572 HD2 PHE 68 HD1 PHE 68 -4.754 4.686 -2.118 573 HE1 PHE 68 HE2 PHE 68 -1.787 1.741 0.479 574 HE2 PHE 68 HE1 PHE 68 -3.292 5.635 -0.383 575 HZ PHE 68 HZ PHE 68 -1.805 4.165 0.917 576 H LEU 69 H LEU 69 -4.754 -0.343 -5.143 577 HA LEU 69 HA LEU 69 -7.306 0.322 -6.412 578 HB2 LEU 69 2HB LEU 69 -6.768 -0.831 -8.486 579 HB3 LEU 69 1HB LEU 69 -5.700 0.532 -8.232 580 HG LEU 69 HG LEU 69 -4.874 -2.300 -7.577 581 HD11 LEU 69 1HD1 LEU 69 -4.423 -0.809 -10.170 582 HD12 LEU 69 2HD1 LEU 69 -5.481 -2.204 -9.948 583 HD13 LEU 69 3HD1 LEU 69 -3.740 -2.378 -9.738 584 HD21 LEU 69 3HD2 LEU 69 -3.544 -0.534 -6.533 585 HD22 LEU 69 1HD2 LEU 69 -3.281 0.217 -8.107 586 HD23 LEU 69 2HD2 LEU 69 -2.608 -1.378 -7.764 587 H TYR 70 H TYR 70 -8.570 -1.610 -7.013 588 HA TYR 70 HA TYR 70 -8.578 -3.518 -4.897 589 HB2 TYR 70 2HB TYR 70 -10.135 -3.580 -7.500 590 HB3 TYR 70 1HB TYR 70 -10.514 -4.487 -6.039 591 HD1 TYR 70 HD1 TYR 70 -10.348 -2.597 -3.890 592 HD2 TYR 70 HD2 TYR 70 -11.773 -1.973 -7.856 593 HE1 TYR 70 HE1 TYR 70 -11.732 -0.727 -3.094 594 HE2 TYR 70 HE2 TYR 70 -13.159 -0.101 -7.068 595 HH TYR 70 HH TYR 70 -12.804 1.262 -3.945 596 HA PRO 71 HA PRO 71 -6.086 -6.826 -6.468 597 HB2 PRO 71 2HB PRO 71 -7.574 -9.058 -5.908 598 HB3 PRO 71 1HB PRO 71 -6.674 -8.145 -4.692 599 HG2 PRO 71 2HG PRO 71 -9.589 -7.999 -5.395 600 HG3 PRO 71 1HG PRO 71 -8.827 -8.043 -3.791 601 HD2 PRO 71 2HD PRO 71 -9.695 -5.740 -4.864 602 HD3 PRO 71 1HD PRO 71 -8.216 -5.800 -3.882 603 H ASP 72 H ASP 72 -6.697 -5.867 -8.676 604 HA ASP 72 HA ASP 72 -6.945 -6.264 -10.894 605 HB2 ASP 72 2HB ASP 72 -6.905 -9.166 -10.031 606 HB3 ASP 72 1HB ASP 72 -6.592 -8.569 -11.659 607 H GLY 73 H GLY 73 -9.475 -6.157 -9.169 608 HA2 GLY 73 2HA GLY 73 -11.307 -6.859 -11.277 609 HA3 GLY 73 1HA GLY 73 -11.411 -7.960 -9.917 610 H ASP 74 H ASP 74 -13.416 -7.471 -9.257 611 HA ASP 74 HA ASP 74 -14.505 -4.828 -9.215 612 HB2 ASP 74 2HB ASP 74 -15.829 -6.830 -9.745 613 HB3 ASP 74 1HB ASP 74 -15.566 -7.444 -8.117 614 H PHE 75 H PHE 75 -15.479 -3.796 -7.316 615 HA PHE 75 HA PHE 75 -13.737 -3.557 -5.111 616 HB2 PHE 75 2HB PHE 75 -15.633 -2.226 -4.077 617 HB3 PHE 75 1HB PHE 75 -15.076 -1.668 -5.648 618 HD1 PHE 75 HD1 PHE 75 -16.482 -1.892 -7.624 619 HD2 PHE 75 HD2 PHE 75 -17.843 -3.188 -3.800 620 HE1 PHE 75 HE1 PHE 75 -18.789 -1.990 -8.478 621 HE2 PHE 75 HE2 PHE 75 -20.144 -3.290 -4.652 622 HZ PHE 75 HZ PHE 75 -20.621 -2.693 -6.991 623 H GLY 76 H GLY 76 -16.843 -5.287 -5.433 624 HA2 GLY 76 2HA GLY 76 -16.961 -6.320 -2.805 625 HA3 GLY 76 1HA GLY 76 -17.708 -7.048 -4.221 626 H SER 77 H SER 77 -15.202 -7.360 -5.655 627 HA SER 77 HA SER 77 -14.263 -9.852 -4.678 628 HB2 SER 77 2HB SER 77 -14.118 -9.271 -7.062 629 HB3 SER 77 1HB SER 77 -12.978 -7.981 -6.691 630 HG SER 77 HG SER 77 -12.070 -10.275 -5.630 631 H ALA 78 H ALA 78 -13.293 -6.568 -4.067 632 HA ALA 78 HA ALA 78 -10.775 -7.198 -2.842 633 HB1 ALA 78 3HB ALA 78 -11.205 -4.977 -3.769 634 HB2 ALA 78 1HB ALA 78 -10.817 -4.875 -2.050 635 HB3 ALA 78 2HB ALA 78 -12.490 -4.723 -2.589 636 H ASN 79 H ASN 79 -14.029 -6.435 -1.590 637 HA ASN 79 HA ASN 79 -13.341 -6.571 1.144 638 HB2 ASN 79 2HB ASN 79 -16.039 -6.949 -0.172 639 HB3 ASN 79 1HB ASN 79 -15.786 -6.710 1.554 640 HD21 ASN 79 1HD2 ASN 79 -17.317 -5.083 -0.248 641 HD22 ASN 79 2HD2 ASN 79 -16.606 -3.511 -0.218 642 H LYS 80 H LYS 80 -14.395 -9.096 -1.102 643 HA LYS 80 HA LYS 80 -15.099 -11.062 0.771 644 HB2 LYS 80 2HB LYS 80 -14.834 -12.689 -1.001 645 HB3 LYS 80 1HB LYS 80 -15.570 -11.232 -1.655 646 HG2 LYS 80 2HG LYS 80 -13.334 -10.543 -2.491 647 HG3 LYS 80 1HG LYS 80 -12.697 -12.088 -1.939 648 HD2 LYS 80 2HD LYS 80 -15.021 -11.949 -3.848 649 HD3 LYS 80 1HD LYS 80 -13.359 -11.851 -4.422 650 HE2 LYS 80 2HE LYS 80 -14.084 -14.124 -4.605 651 HE3 LYS 80 1HE LYS 80 -12.904 -14.031 -3.304 652 HZ1 LYS 80 3HZ LYS 80 -14.736 -14.036 -1.716 653 HZ2 LYS 80 1HZ LYS 80 -14.757 -15.415 -2.687 654 HZ3 LYS 80 2HZ LYS 80 -15.856 -14.165 -2.977 655 H ASN 81 H ASN 81 -11.947 -9.977 -0.250 656 HA ASN 81 HA ASN 81 -10.722 -11.994 1.531 657 HB2 ASN 81 2HB ASN 81 -10.188 -12.240 -0.931 658 HB3 ASN 81 1HB ASN 81 -9.367 -10.686 -0.841 659 HD21 ASN 81 1HD2 ASN 81 -7.413 -11.657 -1.420 660 HD22 ASN 81 2HD2 ASN 81 -6.503 -12.606 -0.301 661 H GLY 82 H GLY 82 -11.449 -8.781 1.193 662 HA2 GLY 82 2HA GLY 82 -10.817 -6.860 2.268 663 HA3 GLY 82 1HA GLY 82 -10.025 -7.897 3.442 664 H THR 83 H THR 83 -9.360 -7.320 -0.022 665 HA THR 83 HA THR 83 -6.562 -6.741 0.742 666 HB THR 83 HB THR 83 -5.926 -7.754 -1.485 667 HG1 THR 83 HG1 THR 83 -7.559 -9.258 -2.309 668 HG21 THR 83 3HG2 THR 83 -7.249 -9.552 0.553 669 HG22 THR 83 1HG2 THR 83 -5.579 -8.989 0.577 670 HG23 THR 83 2HG2 THR 83 -6.121 -10.085 -0.694 671 H LEU 84 H LEU 84 -5.495 -5.123 -0.177 672 HA LEU 84 HA LEU 84 -6.523 -3.869 -2.641 673 HB2 LEU 84 2HB LEU 84 -5.383 -2.466 -0.214 674 HB3 LEU 84 1HB LEU 84 -5.518 -1.700 -1.784 675 HG LEU 84 HG LEU 84 -7.818 -2.671 -0.076 676 HD11 LEU 84 1HD1 LEU 84 -8.341 -0.295 0.150 677 HD12 LEU 84 2HD1 LEU 84 -6.910 0.122 -0.791 678 HD13 LEU 84 3HD1 LEU 84 -6.735 -0.654 0.784 679 HD21 LEU 84 3HD2 LEU 84 -7.851 -1.258 -2.751 680 HD22 LEU 84 1HD2 LEU 84 -9.261 -1.612 -1.750 681 HD23 LEU 84 2HD2 LEU 84 -8.327 -2.930 -2.456 682 H LYS 85 H LYS 85 -4.882 -3.171 -4.092 683 HA LYS 85 HA LYS 85 -2.214 -4.244 -3.491 684 HB2 LYS 85 2HB LYS 85 -3.344 -3.351 -6.157 685 HB3 LYS 85 1HB LYS 85 -1.770 -4.096 -5.897 686 HG2 LYS 85 2HG LYS 85 -3.119 -6.058 -4.884 687 HG3 LYS 85 1HG LYS 85 -4.495 -5.331 -5.710 688 HD2 LYS 85 2HD LYS 85 -1.918 -6.245 -7.005 689 HD3 LYS 85 1HD LYS 85 -3.465 -7.086 -7.072 690 HE2 LYS 85 2HE LYS 85 -4.441 -5.196 -8.286 691 HE3 LYS 85 1HE LYS 85 -2.899 -4.341 -8.201 692 HZ1 LYS 85 3HZ LYS 85 -3.396 -6.916 -9.600 693 HZ2 LYS 85 1HZ LYS 85 -1.893 -6.153 -9.476 694 HZ3 LYS 85 2HZ LYS 85 -3.143 -5.413 -10.334 695 H LEU 86 H LEU 86 -0.922 -2.817 -2.547 696 HA LEU 86 HA LEU 86 -1.162 0.025 -2.947 697 HB2 LEU 86 2HB LEU 86 0.894 -1.634 -1.470 698 HB3 LEU 86 1HB LEU 86 0.906 0.118 -1.513 699 HG LEU 86 HG LEU 86 -1.345 0.101 -0.401 700 HD11 LEU 86 1HD1 LEU 86 -0.796 -2.843 -0.056 701 HD12 LEU 86 2HD1 LEU 86 -2.084 -2.129 -1.027 702 HD13 LEU 86 3HD1 LEU 86 -2.088 -1.931 0.726 703 HD21 LEU 86 3HD2 LEU 86 0.897 -1.253 1.095 704 HD22 LEU 86 1HD2 LEU 86 -0.476 -0.417 1.820 705 HD23 LEU 86 2HD2 LEU 86 0.700 0.485 0.865 706 H SER 87 H SER 87 -0.433 0.991 -4.757 707 HA SER 87 HA SER 87 1.701 -0.189 -6.336 708 HB2 SER 87 2HB SER 87 -0.193 0.827 -7.502 709 HB3 SER 87 1HB SER 87 0.133 2.380 -6.735 710 HG SER 87 HG SER 87 2.094 2.472 -7.862 711 H LEU 88 H LEU 88 3.569 -0.013 -5.052 712 HA LEU 88 HA LEU 88 4.447 2.625 -4.170 713 HB2 LEU 88 2HB LEU 88 5.551 -0.152 -3.844 714 HB3 LEU 88 1HB LEU 88 6.548 1.248 -3.498 715 HG LEU 88 HG LEU 88 4.885 1.987 -1.808 716 HD11 LEU 88 1HD1 LEU 88 2.900 0.908 -2.725 717 HD12 LEU 88 2HD1 LEU 88 3.163 0.448 -1.044 718 HD13 LEU 88 3HD1 LEU 88 3.574 -0.675 -2.341 719 HD21 LEU 88 3HD2 LEU 88 6.854 0.687 -1.165 720 HD22 LEU 88 1HD2 LEU 88 5.949 -0.809 -1.394 721 HD23 LEU 88 2HD2 LEU 88 5.478 0.326 -0.127 722 H MET 89 H MET 89 6.125 3.794 -4.994 723 HA MET 89 HA MET 89 7.332 2.846 -7.513 724 HB2 MET 89 2HB MET 89 7.855 5.265 -7.919 725 HB3 MET 89 1HB MET 89 6.138 4.898 -7.856 726 HG2 MET 89 2HG MET 89 6.088 5.717 -5.521 727 HG3 MET 89 1HG MET 89 7.784 6.174 -5.676 728 HE1 MET 89 3HE MET 89 7.595 8.940 -8.463 729 HE2 MET 89 1HE MET 89 7.850 7.211 -8.713 730 HE3 MET 89 2HE MET 89 8.652 8.039 -7.377 731 H LEU 90 H LEU 90 9.192 1.851 -7.050 732 HA LEU 90 HA LEU 90 10.884 2.787 -4.860 733 HB2 LEU 90 2HB LEU 90 11.144 0.339 -6.621 734 HB3 LEU 90 1HB LEU 90 12.185 0.721 -5.265 735 HG LEU 90 HG LEU 90 10.675 -0.936 -4.507 736 HD11 LEU 90 1HD1 LEU 90 9.446 0.178 -2.717 737 HD12 LEU 90 2HD1 LEU 90 9.680 1.733 -3.515 738 HD13 LEU 90 3HD1 LEU 90 11.071 0.840 -2.901 739 HD21 LEU 90 3HD2 LEU 90 8.997 -0.757 -6.268 740 HD22 LEU 90 1HD2 LEU 90 8.401 0.749 -5.564 741 HD23 LEU 90 2HD2 LEU 90 8.245 -0.766 -4.674 742 H THR 91 H THR 91 12.192 4.451 -5.406 743 HA THR 91 HA THR 91 13.330 4.672 -8.062 744 HB THR 91 HB THR 91 13.903 6.368 -5.616 745 HG1 THR 91 HG1 THR 91 12.234 7.096 -7.792 746 HG21 THR 91 3HG2 THR 91 14.430 6.890 -8.552 747 HG22 THR 91 1HG2 THR 91 15.653 6.546 -7.327 748 HG23 THR 91 2HG2 THR 91 14.710 8.032 -7.238 749 H ASP 92 H ASP 92 14.999 3.421 -8.626 750 HA ASP 92 HA ASP 92 16.844 2.210 -6.849 751 HB2 ASP 92 2HB ASP 92 17.282 2.768 -9.796 752 HB3 ASP 92 1HB ASP 92 18.025 1.498 -8.829 753 H LYS 93 H LYS 93 17.918 3.689 -5.525 754 HA LYS 93 HA LYS 93 18.792 6.232 -6.248 755 HB2 LYS 93 2HB LYS 93 19.925 4.391 -4.133 756 HB3 LYS 93 1HB LYS 93 20.275 6.109 -4.254 757 HG2 LYS 93 2HG LYS 93 17.515 4.962 -3.848 758 HG3 LYS 93 1HG LYS 93 18.563 5.532 -2.550 759 HD2 LYS 93 2HD LYS 93 18.595 7.776 -3.611 760 HD3 LYS 93 1HD LYS 93 17.462 7.185 -4.831 761 HE2 LYS 93 2HE LYS 93 15.804 6.740 -3.106 762 HE3 LYS 93 1HE LYS 93 16.939 7.236 -1.852 763 HZ1 LYS 93 3HZ LYS 93 15.950 9.017 -4.011 764 HZ2 LYS 93 1HZ LYS 93 16.899 9.463 -2.684 765 HZ3 LYS 93 2HZ LYS 93 15.297 8.959 -2.453 766 H LYS 94 H LYS 94 20.855 3.291 -5.989 767 HA LYS 94 HA LYS 94 23.206 4.536 -6.872 768 HB2 LYS 94 2HB LYS 94 24.111 2.296 -7.230 769 HB3 LYS 94 1HB LYS 94 23.231 2.391 -5.712 770 HG2 LYS 94 2HG LYS 94 21.413 1.146 -6.568 771 HG3 LYS 94 1HG LYS 94 21.982 1.316 -8.228 772 HD2 LYS 94 2HD LYS 94 22.519 -0.896 -7.601 773 HD3 LYS 94 1HD LYS 94 24.036 -0.007 -7.522 774 HE2 LYS 94 2HE LYS 94 22.271 -0.708 -5.169 775 HE3 LYS 94 1HE LYS 94 23.760 -1.535 -5.619 776 HZ1 LYS 94 3HZ LYS 94 24.234 -0.022 -3.867 777 HZ2 LYS 94 1HZ LYS 94 23.483 1.261 -4.670 778 HZ3 LYS 94 2HZ LYS 94 24.924 0.611 -5.273 779 H ASN 95 H ASN 95 20.504 3.430 -8.751 780 HA ASN 95 HA ASN 95 22.101 3.625 -11.226 781 HB2 ASN 95 2HB ASN 95 19.395 2.357 -10.750 782 HB3 ASN 95 1HB ASN 95 20.182 2.470 -12.320 783 HD21 ASN 95 1HD2 ASN 95 22.102 1.292 -12.668 784 HD22 ASN 95 2HD2 ASN 95 22.465 -0.102 -11.715 785 H ASN 96 H ASN 96 19.886 5.415 -9.397 786 HA ASN 96 HA ASN 96 18.684 7.316 -9.759 787 HB2 ASN 96 2HB ASN 96 20.336 7.402 -12.300 788 HB3 ASN 96 1HB ASN 96 19.225 8.681 -11.829 789 HD21 ASN 96 1HD2 ASN 96 21.192 6.895 -9.529 790 HD22 ASN 96 2HD2 ASN 96 22.233 8.211 -9.131 791 H GLN 97 H GLN 97 17.700 4.690 -10.647 792 HA GLN 97 HA GLN 97 15.887 5.447 -12.854 793 HB2 GLN 97 2HB GLN 97 16.783 2.729 -11.871 794 HB3 GLN 97 1HB GLN 97 15.523 2.959 -13.076 795 HG2 GLN 97 2HG GLN 97 18.382 3.876 -13.364 796 HG3 GLN 97 1HG GLN 97 17.711 2.400 -14.058 797 HE21 GLN 97 1HE2 GLN 97 18.910 4.699 -15.392 798 HE22 GLN 97 2HE2 GLN 97 17.707 5.288 -16.484 799 H VAL 98 H VAL 98 13.781 3.857 -12.625 800 HA VAL 98 HA VAL 98 12.814 3.900 -9.860 801 HB VAL 98 HB VAL 98 12.094 6.043 -10.782 802 HG11 VAL 98 1HG1 VAL 98 10.671 4.427 -12.899 803 HG12 VAL 98 2HG1 VAL 98 12.062 5.480 -13.150 804 HG13 VAL 98 3HG1 VAL 98 10.514 6.167 -12.656 805 HG21 VAL 98 3HG2 VAL 98 9.702 5.869 -10.308 806 HG22 VAL 98 1HG2 VAL 98 10.636 4.903 -9.166 807 HG23 VAL 98 2HG2 VAL 98 9.777 4.117 -10.491 808 H TYR 99 H TYR 99 11.331 2.368 -9.351 809 HA TYR 99 HA TYR 99 10.393 0.516 -11.453 810 HB2 TYR 99 2HB TYR 99 12.216 -0.584 -10.328 811 HB3 TYR 99 1HB TYR 99 11.600 -0.120 -8.749 812 HD1 TYR 99 HD2 TYR 99 10.487 -2.066 -11.760 813 HD2 TYR 99 HD1 TYR 99 10.522 -1.748 -7.514 814 HE1 TYR 99 HE2 TYR 99 9.306 -4.218 -11.591 815 HE2 TYR 99 HE1 TYR 99 9.343 -3.897 -7.337 816 HH TYR 99 HH TYR 99 8.929 -5.996 -10.033 817 H TYR 100 H TYR 100 8.405 -0.667 -10.882 818 HA TYR 100 HA TYR 100 6.779 0.701 -8.823 819 HB2 TYR 100 2HB TYR 100 5.794 -0.289 -11.514 820 HB3 TYR 100 1HB TYR 100 4.832 0.534 -10.290 821 HD1 TYR 100 HD2 TYR 100 5.432 2.949 -9.711 822 HD2 TYR 100 HD1 TYR 100 7.000 0.947 -13.129 823 HE1 TYR 100 HE2 TYR 100 6.012 5.119 -10.713 824 HE2 TYR 100 HE1 TYR 100 7.584 3.114 -14.134 825 HH TYR 100 HH TYR 100 7.617 6.012 -12.389 826 H LYS 101 H LYS 101 5.946 -0.620 -7.322 827 HA LYS 101 HA LYS 101 5.695 -3.508 -7.919 828 HB2 LYS 101 2HB LYS 101 7.687 -3.164 -6.572 829 HB3 LYS 101 1HB LYS 101 6.789 -2.192 -5.421 830 HG2 LYS 101 2HG LYS 101 6.962 -4.183 -4.302 831 HG3 LYS 101 1HG LYS 101 5.388 -4.362 -5.069 832 HD2 LYS 101 2HD LYS 101 7.965 -5.477 -6.195 833 HD3 LYS 101 1HD LYS 101 6.861 -6.391 -5.174 834 HE2 LYS 101 2HE LYS 101 5.069 -5.906 -6.896 835 HE3 LYS 101 1HE LYS 101 6.356 -5.299 -7.935 836 HZ1 LYS 101 3HZ LYS 101 6.128 -8.053 -6.850 837 HZ2 LYS 101 1HZ LYS 101 7.432 -7.483 -7.764 838 HZ3 LYS 101 2HZ LYS 101 5.893 -7.585 -8.455 839 H LEU 102 H LEU 102 3.712 -4.307 -7.554 840 HA LEU 102 HA LEU 102 1.775 -2.788 -5.969 841 HB2 LEU 102 2HB LEU 102 1.502 -5.202 -7.773 842 HB3 LEU 102 1HB LEU 102 0.177 -4.587 -6.809 843 HG LEU 102 HG LEU 102 -0.069 -3.820 -9.075 844 HD11 LEU 102 1HD1 LEU 102 -0.192 -1.414 -8.731 845 HD12 LEU 102 2HD1 LEU 102 0.836 -1.555 -7.304 846 HD13 LEU 102 3HD1 LEU 102 -0.765 -2.293 -7.314 847 HD21 LEU 102 3HD2 LEU 102 1.579 -2.385 -10.175 848 HD22 LEU 102 1HD2 LEU 102 2.250 -3.974 -9.813 849 HD23 LEU 102 2HD2 LEU 102 2.677 -2.587 -8.810 850 H LEU 103 H LEU 103 1.444 -3.251 -3.871 851 HA LEU 103 HA LEU 103 2.320 -5.853 -2.817 852 HB2 LEU 103 2HB LEU 103 1.508 -3.341 -1.340 853 HB3 LEU 103 1HB LEU 103 2.141 -4.804 -0.603 854 HG LEU 103 HG LEU 103 3.626 -2.910 -2.432 855 HD11 LEU 103 1HD1 LEU 103 3.355 -2.079 -0.170 856 HD12 LEU 103 2HD1 LEU 103 5.033 -2.536 -0.460 857 HD13 LEU 103 3HD1 LEU 103 3.982 -3.592 0.487 858 HD21 LEU 103 3HD2 LEU 103 5.581 -4.331 -2.085 859 HD22 LEU 103 1HD2 LEU 103 4.292 -5.219 -2.895 860 HD23 LEU 103 2HD2 LEU 103 4.600 -5.482 -1.178 861 H GLU 104 H GLU 104 0.797 -7.385 -2.789 862 HA GLU 104 HA GLU 104 -2.029 -6.701 -2.516 863 HB2 GLU 104 2HB GLU 104 -0.723 -9.405 -2.939 864 HB3 GLU 104 1HB GLU 104 -2.439 -9.038 -3.095 865 HG2 GLU 104 2HG GLU 104 -1.971 -7.566 -4.981 866 HG3 GLU 104 1HG GLU 104 -0.244 -7.874 -4.810 867 H VAL 105 H VAL 105 -2.687 -6.355 -0.461 868 HA VAL 105 HA VAL 105 -1.768 -8.214 1.656 869 HB VAL 105 HB VAL 105 -1.627 -6.312 3.222 870 HG11 VAL 105 1HG1 VAL 105 0.399 -7.055 2.061 871 HG12 VAL 105 2HG1 VAL 105 0.436 -5.316 2.352 872 HG13 VAL 105 3HG1 VAL 105 0.063 -5.933 0.742 873 HG21 VAL 105 3HG2 VAL 105 -2.269 -4.676 0.765 874 HG22 VAL 105 1HG2 VAL 105 -1.620 -3.997 2.255 875 HG23 VAL 105 2HG2 VAL 105 -3.197 -4.779 2.261 876 H SER 106 H SER 106 -3.204 -8.646 3.344 877 HA SER 106 HA SER 106 -6.008 -7.840 2.905 878 HB2 SER 106 2HB SER 106 -4.915 -10.179 4.504 879 HB3 SER 106 1HB SER 106 -6.621 -9.806 4.264 880 HG SER 106 HG SER 106 -6.483 -10.405 2.179 881 H GLY 107 H GLY 107 -7.353 -7.360 4.794 882 HA2 GLY 107 2HA GLY 107 -7.090 -7.369 7.375 883 HA3 GLY 107 1HA GLY 107 -5.805 -6.224 7.043 884 H PHE 108 H PHE 108 -7.480 -5.069 4.797 885 HA PHE 108 HA PHE 108 -8.375 -2.831 6.186 886 HB2 PHE 108 2HB PHE 108 -9.290 -3.742 3.447 887 HB3 PHE 108 1HB PHE 108 -9.359 -2.099 4.079 888 HD1 PHE 108 HD2 PHE 108 -7.233 -0.862 4.527 889 HD2 PHE 108 HD1 PHE 108 -7.290 -4.606 2.486 890 HE1 PHE 108 HE2 PHE 108 -4.965 -0.433 3.676 891 HE2 PHE 108 HE1 PHE 108 -5.021 -4.177 1.640 892 HZ PHE 108 HZ PHE 108 -3.855 -2.088 2.232 893 H LYS 109 H LYS 109 -10.410 -5.410 4.759 894 HA LYS 109 HA LYS 109 -12.315 -5.123 6.920 895 HB2 LYS 109 2HB LYS 109 -13.006 -3.406 5.205 896 HB3 LYS 109 1HB LYS 109 -13.278 -4.723 4.074 897 HG2 LYS 109 2HG LYS 109 -15.365 -4.001 5.087 898 HG3 LYS 109 1HG LYS 109 -14.985 -5.659 5.565 899 HD2 LYS 109 2HD LYS 109 -14.125 -4.846 7.712 900 HD3 LYS 109 1HD LYS 109 -14.467 -3.184 7.230 901 HE2 LYS 109 2HE LYS 109 -16.865 -3.745 7.090 902 HE3 LYS 109 1HE LYS 109 -16.498 -5.386 7.628 903 HZ1 LYS 109 3HZ LYS 109 -15.675 -4.500 9.706 904 HZ2 LYS 109 1HZ LYS 109 -17.258 -3.965 9.445 905 HZ3 LYS 109 2HZ LYS 109 -15.957 -2.916 9.189 906 H SER 110 H SER 110 -13.118 -7.087 7.447 907 HA SER 110 HA SER 110 -12.529 -9.324 5.634 908 HB2 SER 110 2HB SER 110 -12.793 -10.767 7.605 909 HB3 SER 110 1HB SER 110 -11.648 -9.469 7.935 910 HG SER 110 HG SER 110 -14.151 -9.963 9.018 911 H ASN 111 H ASN 111 -14.320 -9.071 4.190 912 HA ASN 111 HA ASN 111 -16.821 -10.178 5.332 913 HB2 ASN 111 2HB ASN 111 -16.502 -8.212 3.047 914 HB3 ASN 111 1HB ASN 111 -18.001 -9.070 3.386 915 HD21 ASN 111 1HD2 ASN 111 -19.128 -7.203 3.800 916 HD22 ASN 111 2HD2 ASN 111 -18.880 -6.265 5.228 917 HA PRO 112 HA PRO 112 -14.653 -13.115 2.413 918 HB2 PRO 112 2HB PRO 112 -15.416 -15.407 3.726 919 HB3 PRO 112 1HB PRO 112 -13.973 -14.467 4.123 920 HG2 PRO 112 2HG PRO 112 -16.674 -14.431 5.426 921 HG3 PRO 112 1HG PRO 112 -15.067 -14.423 6.180 922 HD2 PRO 112 2HD PRO 112 -16.519 -12.172 5.934 923 HD3 PRO 112 1HD PRO 112 -14.749 -12.158 5.774 924 H TYR 113 H TYR 113 -17.930 -13.595 3.729 925 HA TYR 113 HA TYR 113 -18.823 -14.446 1.046 926 HB2 TYR 113 2HB TYR 113 -20.490 -15.935 2.462 927 HB3 TYR 113 1HB TYR 113 -18.868 -16.508 2.090 928 HD1 TYR 113 HD2 TYR 113 -20.380 -14.303 4.734 929 HD2 TYR 113 HD1 TYR 113 -17.889 -17.644 3.850 930 HE1 TYR 113 HE2 TYR 113 -19.913 -14.586 7.132 931 HE2 TYR 113 HE1 TYR 113 -17.423 -17.935 6.241 932 HH TYR 113 HH TYR 113 -19.178 -16.297 8.679 933 H LEU 114 H LEU 114 -19.093 -12.059 3.178 934 HA LEU 114 HA LEU 114 -21.931 -11.894 3.585 935 HB2 LEU 114 2HB LEU 114 -19.752 -9.853 4.049 936 HB3 LEU 114 1HB LEU 114 -21.411 -9.697 4.597 937 HG LEU 114 HG LEU 114 -19.464 -11.834 5.497 938 HD11 LEU 114 1HD1 LEU 114 -18.857 -9.647 6.373 939 HD12 LEU 114 2HD1 LEU 114 -19.503 -10.674 7.652 940 HD13 LEU 114 3HD1 LEU 114 -20.505 -9.401 6.953 941 HD21 LEU 114 3HD2 LEU 114 -22.271 -11.222 6.429 942 HD22 LEU 114 1HD2 LEU 114 -21.181 -12.412 7.144 943 HD23 LEU 114 2HD2 LEU 114 -21.767 -12.633 5.496 944 H GLU 115 H GLU 115 -19.642 -10.383 1.349 945 HA GLU 115 HA GLU 115 -21.326 -8.317 0.449 946 HB2 GLU 115 2HB GLU 115 -19.003 -9.650 -0.956 947 HB3 GLU 115 1HB GLU 115 -19.757 -8.143 -1.467 948 HG2 GLU 115 2HG GLU 115 -18.321 -8.635 1.140 949 HG3 GLU 115 1HG GLU 115 -17.730 -7.689 -0.227 950 H HIS 116 H HIS 116 -21.390 -11.680 -0.345 951 HA HIS 116 HA HIS 116 -22.969 -11.178 -2.769 952 HB2 HIS 116 2HB HIS 116 -21.868 -13.753 -1.625 953 HB3 HIS 116 1HB HIS 116 -22.811 -13.644 -3.109 954 HD1 HIS 116 HD1 HIS 116 -21.346 -11.037 -4.200 955 HD2 HIS 116 HD2 HIS 116 -19.502 -14.496 -2.814 956 HE1 HIS 116 HE1 HIS 116 -19.071 -11.057 -5.251 957 HE2 HIS 116 HE2 HIS 116 -18.043 -13.231 -4.533 958 H HIS 117 H HIS 117 -23.972 -10.708 0.039 959 HA HIS 117 HA HIS 117 -25.937 -12.720 0.553 960 HB2 HIS 117 2HB HIS 117 -26.852 -11.050 2.203 961 HB3 HIS 117 1HB HIS 117 -25.164 -11.484 2.424 962 HD1 HIS 117 HD1 HIS 117 -25.335 -9.153 3.844 963 HD2 HIS 117 HD2 HIS 117 -25.365 -8.853 -0.298 964 HE1 HIS 117 HE1 HIS 117 -24.720 -6.778 3.339 965 HE2 HIS 117 HE2 HIS 117 -24.644 -6.643 0.833 966 H HIS 118 H HIS 118 -26.005 -11.155 -2.132 967 HA HIS 118 HA HIS 118 -28.892 -11.301 -2.288 968 HB2 HIS 118 2HB HIS 118 -29.219 -9.112 -3.335 969 HB3 HIS 118 1HB HIS 118 -28.575 -8.932 -1.709 970 HD1 HIS 118 HD1 HIS 118 -27.986 -7.960 -5.176 971 HD2 HIS 118 HD2 HIS 118 -25.752 -8.206 -1.684 972 HE1 HIS 118 HE1 HIS 118 -25.953 -6.555 -5.580 973 HE2 HIS 118 HE2 HIS 118 -24.765 -6.513 -3.363 974 H HIS 119 H HIS 119 -29.606 -11.978 -4.267 975 HA HIS 119 HA HIS 119 -27.694 -13.268 -5.903 976 HB2 HIS 119 2HB HIS 119 -30.668 -12.872 -6.147 977 HB3 HIS 119 1HB HIS 119 -29.749 -13.679 -7.412 978 HD1 HIS 119 HD1 HIS 119 -29.492 -16.115 -7.149 979 HD2 HIS 119 HD2 HIS 119 -30.322 -14.260 -3.524 980 HE1 HIS 119 HE1 HIS 119 -29.770 -17.976 -5.493 981 HE2 HIS 119 HE2 HIS 119 -30.090 -16.826 -3.280 982 H HIS 120 H HIS 120 -26.322 -12.131 -7.127 983 HA HIS 120 HA HIS 120 -27.216 -9.981 -8.864 984 HB2 HIS 120 2HB HIS 120 -24.901 -9.993 -9.729 985 HB3 HIS 120 1HB HIS 120 -24.936 -9.886 -7.974 986 HD1 HIS 120 HD1 HIS 120 -23.805 -12.056 -10.776 987 HD2 HIS 120 HD2 HIS 120 -23.940 -12.174 -6.625 988 HE1 HIS 120 HE1 HIS 120 -22.338 -13.974 -10.110 989 HE2 HIS 120 HE2 HIS 120 -22.587 -14.143 -7.616 990 H HIS 121 H HIS 121 -27.212 -13.338 -8.901 991 HA HIS 121 HA HIS 121 -28.368 -13.421 -11.543 992 HB2 HIS 121 2HB HIS 121 -26.027 -13.648 -12.162 993 HB3 HIS 121 1HB HIS 121 -25.792 -14.912 -10.961 994 HD1 HIS 121 HD1 HIS 121 -26.182 -17.267 -11.715 995 HD2 HIS 121 HD2 HIS 121 -27.718 -14.487 -14.392 996 HE1 HIS 121 HE1 HIS 121 -26.929 -18.594 -13.705 997 HE2 HIS 121 HE2 HIS 121 -27.679 -16.877 -15.380 Start of MODEL 9 1 H1 MET 1 1H MET 1 19.279 -14.383 7.000 2 H2 MET 1 2H MET 1 20.838 -14.651 7.597 3 H3 MET 1 3H MET 1 19.801 -15.959 7.320 4 HA MET 1 HA MET 1 21.444 -15.824 5.589 5 HB2 MET 1 2HB MET 1 18.642 -15.073 4.726 6 HB3 MET 1 1HB MET 1 19.883 -15.664 3.628 7 HG2 MET 1 2HG MET 1 18.310 -17.420 4.318 8 HG3 MET 1 1HG MET 1 19.972 -17.776 4.790 9 HE1 MET 1 3HE MET 1 17.892 -19.362 7.706 10 HE2 MET 1 1HE MET 1 19.157 -19.640 6.510 11 HE3 MET 1 2HE MET 1 17.500 -19.333 5.988 12 H LEU 2 H LEU 2 22.965 -14.494 4.868 13 HA LEU 2 HA LEU 2 22.664 -11.649 4.882 14 HB2 LEU 2 2HB LEU 2 24.798 -12.753 5.396 15 HB3 LEU 2 1HB LEU 2 24.873 -13.391 3.764 16 HG LEU 2 HG LEU 2 25.068 -11.090 2.880 17 HD11 LEU 2 1HD1 LEU 2 25.511 -9.229 4.422 18 HD12 LEU 2 2HD1 LEU 2 25.124 -10.279 5.786 19 HD13 LEU 2 3HD1 LEU 2 23.880 -9.871 4.604 20 HD21 LEU 2 3HD2 LEU 2 27.089 -12.374 3.338 21 HD22 LEU 2 1HD2 LEU 2 27.107 -11.779 4.999 22 HD23 LEU 2 2HD2 LEU 2 27.350 -10.660 3.657 23 H SER 3 H SER 3 21.342 -10.747 3.401 24 HA SER 3 HA SER 3 21.029 -11.728 0.721 25 HB2 SER 3 2HB SER 3 20.150 -9.064 1.877 26 HB3 SER 3 1HB SER 3 19.547 -9.817 0.400 27 HG SER 3 HG SER 3 18.609 -11.431 1.630 28 H GLN 4 H GLN 4 22.394 -11.367 -0.942 29 HA GLN 4 HA GLN 4 23.703 -8.801 -1.274 30 HB2 GLN 4 2HB GLN 4 26.008 -9.769 -1.310 31 HB3 GLN 4 1HB GLN 4 25.255 -9.753 0.279 32 HG2 GLN 4 2HG GLN 4 24.694 -12.146 0.008 33 HG3 GLN 4 1HG GLN 4 25.524 -12.142 -1.547 34 HE21 GLN 4 1HE2 GLN 4 26.103 -13.709 0.827 35 HE22 GLN 4 2HE2 GLN 4 27.726 -13.333 1.273 36 H ALA 5 H ALA 5 22.062 -9.415 -3.091 37 HA ALA 5 HA ALA 5 23.594 -9.637 -5.469 38 HB1 ALA 5 3HB ALA 5 23.509 -12.035 -4.959 39 HB2 ALA 5 1HB ALA 5 22.625 -11.658 -6.436 40 HB3 ALA 5 2HB ALA 5 21.749 -11.968 -4.938 41 H ASN 6 H ASN 6 22.022 -9.775 -7.466 42 HA ASN 6 HA ASN 6 20.275 -7.553 -7.201 43 HB2 ASN 6 2HB ASN 6 20.749 -9.493 -9.460 44 HB3 ASN 6 1HB ASN 6 19.590 -8.176 -9.585 45 HD21 ASN 6 1HD2 ASN 6 22.644 -7.954 -7.857 46 HD22 ASN 6 2HD2 ASN 6 23.369 -6.827 -8.939 47 H GLU 7 H GLU 7 19.623 -11.047 -7.416 48 HA GLU 7 HA GLU 7 16.786 -10.735 -7.450 49 HB2 GLU 7 2HB GLU 7 16.696 -13.146 -6.919 50 HB3 GLU 7 1HB GLU 7 17.747 -12.782 -8.280 51 HG2 GLU 7 2HG GLU 7 19.710 -13.078 -6.911 52 HG3 GLU 7 1HG GLU 7 18.712 -13.293 -5.469 53 H ASP 8 H ASP 8 19.169 -11.097 -4.876 54 HA ASP 8 HA ASP 8 17.501 -11.405 -2.669 55 HB2 ASP 8 2HB ASP 8 20.098 -9.856 -2.900 56 HB3 ASP 8 1HB ASP 8 19.331 -10.296 -1.377 57 H PHE 9 H PHE 9 18.552 -8.397 -4.265 58 HA PHE 9 HA PHE 9 17.250 -6.604 -2.522 59 HB2 PHE 9 2HB PHE 9 18.043 -6.268 -5.424 60 HB3 PHE 9 1HB PHE 9 17.478 -4.957 -4.395 61 HD1 PHE 9 HD1 PHE 9 18.816 -5.219 -1.916 62 HD2 PHE 9 HD2 PHE 9 20.313 -6.077 -5.813 63 HE1 PHE 9 HE1 PHE 9 21.111 -4.826 -1.119 64 HE2 PHE 9 HE2 PHE 9 22.610 -5.687 -5.018 65 HZ PHE 9 HZ PHE 9 23.009 -5.064 -2.669 66 H LYS 10 H LYS 10 16.161 -7.872 -5.710 67 HA LYS 10 HA LYS 10 13.682 -6.529 -5.661 68 HB2 LYS 10 2HB LYS 10 12.942 -7.978 -7.431 69 HB3 LYS 10 1HB LYS 10 14.618 -7.540 -7.718 70 HG2 LYS 10 2HG LYS 10 15.390 -9.688 -7.127 71 HG3 LYS 10 1HG LYS 10 13.840 -10.135 -6.413 72 HD2 LYS 10 2HD LYS 10 14.330 -9.594 -9.351 73 HD3 LYS 10 1HD LYS 10 14.183 -11.192 -8.614 74 HE2 LYS 10 2HE LYS 10 11.888 -10.630 -7.899 75 HE3 LYS 10 1HE LYS 10 12.042 -9.055 -8.679 76 HZ1 LYS 10 3HZ LYS 10 12.212 -11.672 -10.068 77 HZ2 LYS 10 1HZ LYS 10 12.285 -10.151 -10.798 78 HZ3 LYS 10 2HZ LYS 10 10.859 -10.663 -10.055 79 H LYS 11 H LYS 11 14.645 -9.673 -4.337 80 HA LYS 11 HA LYS 11 12.177 -10.635 -3.489 81 HB2 LYS 11 2HB LYS 11 14.066 -12.032 -3.184 82 HB3 LYS 11 1HB LYS 11 14.932 -10.813 -2.271 83 HG2 LYS 11 2HG LYS 11 12.404 -11.836 -1.078 84 HG3 LYS 11 1HG LYS 11 13.777 -12.941 -1.136 85 HD2 LYS 11 2HD LYS 11 15.132 -11.037 -0.072 86 HD3 LYS 11 1HD LYS 11 13.577 -10.273 0.255 87 HE2 LYS 11 2HE LYS 11 14.380 -13.033 1.186 88 HE3 LYS 11 1HE LYS 11 14.471 -11.578 2.174 89 HZ1 LYS 11 3HZ LYS 11 11.973 -12.699 1.011 90 HZ2 LYS 11 1HZ LYS 11 12.081 -11.356 2.037 91 HZ3 LYS 11 2HZ LYS 11 12.476 -12.895 2.611 92 H ILE 12 H ILE 12 14.356 -8.407 -1.750 93 HA ILE 12 HA ILE 12 12.729 -7.897 0.461 94 HB ILE 12 HB ILE 12 14.602 -5.946 -0.912 95 HG12 ILE 12 2HG1 ILE 12 15.149 -7.902 1.346 96 HG13 ILE 12 1HG1 ILE 12 15.690 -8.098 -0.317 97 HG21 ILE 12 1HG2 ILE 12 14.762 -4.859 1.285 98 HG22 ILE 12 2HG2 ILE 12 13.571 -5.988 1.932 99 HG23 ILE 12 3HG2 ILE 12 13.106 -4.840 0.676 100 HD11 ILE 12 3HD1 ILE 12 16.518 -5.896 1.564 101 HD12 ILE 12 1HD1 ILE 12 17.055 -6.079 -0.106 102 HD13 ILE 12 2HD1 ILE 12 17.485 -7.295 1.096 103 H VAL 13 H VAL 13 12.847 -6.230 -2.686 104 HA VAL 13 HA VAL 13 10.915 -4.261 -2.154 105 HB VAL 13 HB VAL 13 11.488 -5.513 -4.853 106 HG11 VAL 13 1HG1 VAL 13 10.387 -2.795 -4.107 107 HG12 VAL 13 2HG1 VAL 13 9.489 -4.117 -4.854 108 HG13 VAL 13 3HG1 VAL 13 10.787 -3.321 -5.743 109 HG21 VAL 13 3HG2 VAL 13 13.148 -3.710 -5.146 110 HG22 VAL 13 1HG2 VAL 13 13.577 -4.790 -3.820 111 HG23 VAL 13 2HG2 VAL 13 12.884 -3.206 -3.476 112 H ASN 14 H ASN 14 10.513 -7.522 -3.547 113 HA ASN 14 HA ASN 14 7.660 -7.255 -3.832 114 HB2 ASN 14 2HB ASN 14 9.570 -9.577 -4.091 115 HB3 ASN 14 1HB ASN 14 7.828 -9.811 -4.180 116 HD21 ASN 14 1HD2 ASN 14 10.603 -8.402 -5.747 117 HD22 ASN 14 2HD2 ASN 14 9.839 -8.129 -7.271 118 H ASN 15 H ASN 15 9.744 -8.049 -1.227 119 HA ASN 15 HA ASN 15 7.593 -9.340 0.302 120 HB2 ASN 15 2HB ASN 15 10.557 -9.056 0.797 121 HB3 ASN 15 1HB ASN 15 9.451 -9.622 2.044 122 HD21 ASN 15 1HD2 ASN 15 9.195 -10.370 -1.388 123 HD22 ASN 15 2HD2 ASN 15 9.501 -12.059 -1.212 124 H ILE 16 H ILE 16 8.276 -6.269 -0.349 125 HA ILE 16 HA ILE 16 8.431 -4.988 2.157 126 HB ILE 16 HB ILE 16 7.263 -4.010 -0.458 127 HG12 ILE 16 2HG1 ILE 16 9.889 -3.412 0.938 128 HG13 ILE 16 1HG1 ILE 16 9.686 -4.427 -0.485 129 HG21 ILE 16 1HG2 ILE 16 7.328 -1.746 0.492 130 HG22 ILE 16 2HG2 ILE 16 7.783 -2.419 2.057 131 HG23 ILE 16 3HG2 ILE 16 6.204 -2.788 1.363 132 HD11 ILE 16 3HD1 ILE 16 8.928 -2.482 -1.759 133 HD12 ILE 16 1HD1 ILE 16 10.538 -2.240 -1.085 134 HD13 ILE 16 2HD1 ILE 16 9.144 -1.467 -0.331 135 H ARG 17 H ARG 17 6.971 -4.575 3.691 136 HA ARG 17 HA ARG 17 4.120 -5.116 3.140 137 HB2 ARG 17 2HB ARG 17 5.849 -6.537 4.921 138 HB3 ARG 17 1HB ARG 17 4.704 -5.642 5.905 139 HG2 ARG 17 2HG ARG 17 3.949 -7.927 5.389 140 HG3 ARG 17 1HG ARG 17 2.843 -6.692 4.779 141 HD2 ARG 17 2HD ARG 17 3.733 -6.921 2.554 142 HD3 ARG 17 1HD ARG 17 4.967 -8.040 3.122 143 HE ARG 17 HE ARG 17 2.682 -9.283 3.818 144 HH11 ARG 17 1HH1 ARG 17 3.736 -7.857 0.869 145 HH12 ARG 17 2HH1 ARG 17 2.838 -8.962 -0.112 146 HH21 ARG 17 1HH2 ARG 17 1.546 -10.716 2.540 147 HH22 ARG 17 2HH2 ARG 17 1.608 -10.547 0.815 148 H LEU 18 H LEU 18 2.683 -3.651 3.901 149 HA LEU 18 HA LEU 18 3.624 -1.174 5.017 150 HB2 LEU 18 2HB LEU 18 1.108 -0.667 5.138 151 HB3 LEU 18 1HB LEU 18 1.848 -0.870 3.565 152 HG LEU 18 HG LEU 18 0.931 -3.187 3.466 153 HD11 LEU 18 1HD1 LEU 18 -0.501 -2.410 6.007 154 HD12 LEU 18 2HD1 LEU 18 0.710 -3.681 5.829 155 HD13 LEU 18 3HD1 LEU 18 -0.852 -3.835 5.027 156 HD21 LEU 18 3HD2 LEU 18 -1.098 -0.993 3.892 157 HD22 LEU 18 1HD2 LEU 18 -1.392 -2.517 3.057 158 HD23 LEU 18 2HD2 LEU 18 -0.247 -1.354 2.390 159 H LYS 19 H LYS 19 4.119 -3.454 6.681 160 HA LYS 19 HA LYS 19 3.041 -2.515 9.195 161 HB2 LYS 19 2HB LYS 19 1.348 -4.146 8.448 162 HB3 LYS 19 1HB LYS 19 2.596 -5.371 8.261 163 HG2 LYS 19 2HG LYS 19 2.950 -5.496 10.606 164 HG3 LYS 19 1HG LYS 19 1.985 -4.049 10.898 165 HD2 LYS 19 2HD LYS 19 0.738 -6.067 11.499 166 HD3 LYS 19 1HD LYS 19 -0.029 -5.229 10.150 167 HE2 LYS 19 2HE LYS 19 0.965 -6.824 8.584 168 HE3 LYS 19 1HE LYS 19 1.771 -7.648 9.920 169 HZ1 LYS 19 3HZ LYS 19 -0.430 -8.159 10.840 170 HZ2 LYS 19 1HZ LYS 19 -0.224 -8.823 9.299 171 HZ3 LYS 19 2HZ LYS 19 -1.163 -7.435 9.503 172 H ASP 20 H ASP 20 5.075 -4.804 7.447 173 HA ASP 20 HA ASP 20 6.960 -5.058 9.653 174 HB2 ASP 20 2HB ASP 20 6.665 -7.082 8.480 175 HB3 ASP 20 1HB ASP 20 6.708 -6.289 6.912 176 H THR 21 H THR 21 7.076 -3.948 6.261 177 HA THR 21 HA THR 21 9.806 -3.078 6.507 178 HB THR 21 HB THR 21 7.926 -2.558 4.195 179 HG1 THR 21 HG1 THR 21 9.198 -4.907 5.057 180 HG21 THR 21 3HG2 THR 21 10.068 -1.332 4.140 181 HG22 THR 21 1HG2 THR 21 9.971 -2.539 2.858 182 HG23 THR 21 2HG2 THR 21 10.936 -2.858 4.299 183 H PHE 22 H PHE 22 6.661 -1.450 6.157 184 HA PHE 22 HA PHE 22 7.760 0.941 7.369 185 HB2 PHE 22 2HB PHE 22 7.266 2.460 5.587 186 HB3 PHE 22 1HB PHE 22 8.231 1.163 4.892 187 HD1 PHE 22 HD1 PHE 22 6.967 -0.720 3.670 188 HD2 PHE 22 HD2 PHE 22 5.209 3.034 4.652 189 HE1 PHE 22 HE1 PHE 22 5.225 -1.090 1.974 190 HE2 PHE 22 HE2 PHE 22 3.469 2.665 2.957 191 HZ PHE 22 HZ PHE 22 3.473 0.599 1.614 192 H ASP 23 H ASP 23 6.199 2.264 8.288 193 HA ASP 23 HA ASP 23 3.417 1.291 8.162 194 HB2 ASP 23 2HB ASP 23 4.840 2.947 10.266 195 HB3 ASP 23 1HB ASP 23 3.133 2.513 10.317 196 H PHE 24 H PHE 24 2.209 2.471 6.749 197 HA PHE 24 HA PHE 24 2.966 5.231 6.205 198 HB2 PHE 24 2HB PHE 24 1.472 5.160 4.334 199 HB3 PHE 24 1HB PHE 24 2.378 3.655 4.348 200 HD1 PHE 24 HD1 PHE 24 1.253 1.570 5.219 201 HD2 PHE 24 HD2 PHE 24 -0.879 5.166 4.399 202 HE1 PHE 24 HE1 PHE 24 -0.851 0.305 5.129 203 HE2 PHE 24 HE2 PHE 24 -2.985 3.901 4.309 204 HZ PHE 24 HZ PHE 24 -2.973 1.468 4.671 205 H LYS 25 H LYS 25 1.659 7.015 6.504 206 HA LYS 25 HA LYS 25 -0.605 6.685 8.369 207 HB2 LYS 25 2HB LYS 25 1.270 7.609 9.563 208 HB3 LYS 25 1HB LYS 25 1.570 8.786 8.297 209 HG2 LYS 25 2HG LYS 25 -0.446 9.987 8.856 210 HG3 LYS 25 1HG LYS 25 -0.901 8.747 10.030 211 HD2 LYS 25 2HD LYS 25 0.967 9.301 11.438 212 HD3 LYS 25 1HD LYS 25 1.640 10.376 10.212 213 HE2 LYS 25 2HE LYS 25 -1.018 10.812 11.578 214 HE3 LYS 25 1HE LYS 25 0.497 11.553 12.095 215 HZ1 LYS 25 3HZ LYS 25 0.668 12.591 9.906 216 HZ2 LYS 25 1HZ LYS 25 -0.745 13.060 10.704 217 HZ3 LYS 25 2HZ LYS 25 -0.812 11.923 9.452 218 H LEU 26 H LEU 26 -2.415 7.974 8.042 219 HA LEU 26 HA LEU 26 -2.640 9.047 5.322 220 HB2 LEU 26 2HB LEU 26 -4.802 8.409 7.345 221 HB3 LEU 26 1HB LEU 26 -5.067 8.900 5.686 222 HG LEU 26 HG LEU 26 -5.445 6.568 5.738 223 HD11 LEU 26 1HD1 LEU 26 -3.724 5.634 4.293 224 HD12 LEU 26 2HD1 LEU 26 -2.639 6.962 4.708 225 HD13 LEU 26 3HD1 LEU 26 -4.131 7.283 3.821 226 HD21 LEU 26 3HD2 LEU 26 -2.817 6.229 7.186 227 HD22 LEU 26 1HD2 LEU 26 -3.895 4.931 6.671 228 HD23 LEU 26 2HD2 LEU 26 -4.423 6.079 7.900 229 H ALA 27 H ALA 27 -2.919 11.186 4.908 230 HA ALA 27 HA ALA 27 -2.700 13.155 6.929 231 HB1 ALA 27 3HB ALA 27 -3.151 14.770 5.140 232 HB2 ALA 27 1HB ALA 27 -3.642 13.453 4.074 233 HB3 ALA 27 2HB ALA 27 -1.973 13.558 4.634 234 H ALA 28 H ALA 28 -5.467 11.762 5.257 235 HA ALA 28 HA ALA 28 -7.393 13.526 6.514 236 HB1 ALA 28 3HB ALA 28 -7.780 12.694 4.246 237 HB2 ALA 28 1HB ALA 28 -9.071 12.192 5.338 238 HB3 ALA 28 2HB ALA 28 -7.827 11.039 4.851 239 H PHE 29 H PHE 29 -6.035 10.367 7.121 240 HA PHE 29 HA PHE 29 -7.696 10.153 9.559 241 HB2 PHE 29 2HB PHE 29 -6.558 7.802 8.018 242 HB3 PHE 29 1HB PHE 29 -7.655 7.741 9.391 243 HD1 PHE 29 HD1 PHE 29 -10.001 8.663 9.104 244 HD2 PHE 29 HD2 PHE 29 -7.381 7.941 5.818 245 HE1 PHE 29 HE1 PHE 29 -11.924 8.661 7.571 246 HE2 PHE 29 HE2 PHE 29 -9.304 7.940 4.284 247 HZ PHE 29 HZ PHE 29 -11.578 8.301 5.160 248 HA PRO 30 HA PRO 30 -3.273 11.080 10.496 249 HB2 PRO 30 2HB PRO 30 -3.792 11.878 13.114 250 HB3 PRO 30 1HB PRO 30 -3.786 12.933 11.698 251 HG2 PRO 30 2HG PRO 30 -6.098 11.626 13.079 252 HG3 PRO 30 1HG PRO 30 -5.976 13.261 12.400 253 HD2 PRO 30 2HD PRO 30 -7.284 11.326 11.098 254 HD3 PRO 30 1HD PRO 30 -6.297 12.511 10.214 255 H ASN 31 H ASN 31 -5.227 9.593 13.128 256 HA ASN 31 HA ASN 31 -2.830 8.066 13.885 257 HB2 ASN 31 2HB ASN 31 -5.338 8.519 15.512 258 HB3 ASN 31 1HB ASN 31 -3.800 7.874 16.085 259 HD21 ASN 31 1HD2 ASN 31 -1.975 9.306 16.085 260 HD22 ASN 31 2HD2 ASN 31 -2.210 11.009 16.258 261 H GLN 32 H GLN 32 -5.050 7.388 11.799 262 HA GLN 32 HA GLN 32 -6.011 4.863 12.951 263 HB2 GLN 32 2HB GLN 32 -6.837 6.284 10.410 264 HB3 GLN 32 1HB GLN 32 -7.551 4.796 11.020 265 HG2 GLN 32 2HG GLN 32 -7.604 7.480 12.396 266 HG3 GLN 32 1HG GLN 32 -8.940 6.731 11.524 267 HE21 GLN 32 1HE2 GLN 32 -8.390 4.057 12.541 268 HE22 GLN 32 2HE2 GLN 32 -8.885 4.055 14.192 269 H ASN 33 H ASN 33 -5.776 2.873 11.850 270 HA ASN 33 HA ASN 33 -3.347 2.761 10.184 271 HB2 ASN 33 2HB ASN 33 -4.602 0.662 11.969 272 HB3 ASN 33 1HB ASN 33 -3.181 0.397 10.962 273 HD21 ASN 33 1HD2 ASN 33 -2.087 3.055 11.449 274 HD22 ASN 33 2HD2 ASN 33 -1.485 3.026 13.068 275 H TYR 34 H TYR 34 -3.195 1.236 8.498 276 HA TYR 34 HA TYR 34 -5.037 0.957 6.556 277 HB2 TYR 34 2HB TYR 34 -3.878 -1.386 6.151 278 HB3 TYR 34 1HB TYR 34 -2.958 0.106 5.986 279 HD1 TYR 34 HD1 TYR 34 -3.550 -2.832 8.153 280 HD2 TYR 34 HD2 TYR 34 -1.213 0.676 7.538 281 HE1 TYR 34 HE1 TYR 34 -1.965 -3.580 9.877 282 HE2 TYR 34 HE2 TYR 34 0.371 -0.069 9.255 283 HH TYR 34 HH TYR 34 0.264 -3.223 10.626 284 H ASP 35 H ASP 35 -4.843 -1.204 9.375 285 HA ASP 35 HA ASP 35 -6.811 -3.039 8.435 286 HB2 ASP 35 2HB ASP 35 -6.738 -3.869 10.835 287 HB3 ASP 35 1HB ASP 35 -5.214 -3.888 9.955 288 H GLN 36 H GLN 36 -7.379 0.030 9.151 289 HA GLN 36 HA GLN 36 -10.029 -0.504 10.333 290 HB2 GLN 36 2HB GLN 36 -8.055 1.678 11.010 291 HB3 GLN 36 1HB GLN 36 -9.764 1.811 11.407 292 HG2 GLN 36 2HG GLN 36 -9.678 0.070 12.948 293 HG3 GLN 36 1HG GLN 36 -8.177 -0.576 12.283 294 HE21 GLN 36 1HE2 GLN 36 -6.241 0.273 12.942 295 HE22 GLN 36 2HE2 GLN 36 -6.101 1.403 14.246 296 H LEU 37 H LEU 37 -8.435 0.611 7.634 297 HA LEU 37 HA LEU 37 -10.681 2.387 6.894 298 HB2 LEU 37 2HB LEU 37 -7.759 2.618 6.180 299 HB3 LEU 37 1HB LEU 37 -9.004 3.411 5.237 300 HG LEU 37 HG LEU 37 -8.120 5.044 6.703 301 HD11 LEU 37 1HD1 LEU 37 -10.042 5.683 8.067 302 HD12 LEU 37 2HD1 LEU 37 -10.725 4.069 7.875 303 HD13 LEU 37 3HD1 LEU 37 -10.538 5.121 6.472 304 HD21 LEU 37 3HD2 LEU 37 -7.977 4.788 9.119 305 HD22 LEU 37 1HD2 LEU 37 -7.017 3.560 8.296 306 HD23 LEU 37 2HD2 LEU 37 -8.580 3.136 8.997 307 H LEU 38 H LEU 38 -11.874 1.735 5.239 308 HA LEU 38 HA LEU 38 -11.331 -0.597 3.728 309 HB2 LEU 38 2HB LEU 38 -13.274 1.647 3.132 310 HB3 LEU 38 1HB LEU 38 -13.297 0.054 2.397 311 HG LEU 38 HG LEU 38 -13.785 0.643 5.328 312 HD11 LEU 38 1HD1 LEU 38 -15.607 1.401 3.864 313 HD12 LEU 38 2HD1 LEU 38 -16.091 0.041 4.876 314 HD13 LEU 38 3HD1 LEU 38 -15.716 -0.219 3.173 315 HD21 LEU 38 3HD2 LEU 38 -13.938 -1.960 3.797 316 HD22 LEU 38 1HD2 LEU 38 -14.431 -1.721 5.474 317 HD23 LEU 38 2HD2 LEU 38 -12.739 -1.536 5.019 318 HA PRO 39 HA PRO 39 -8.601 0.494 0.419 319 HB2 PRO 39 2HB PRO 39 -10.864 -0.368 -1.361 320 HB3 PRO 39 1HB PRO 39 -9.143 -0.769 -1.460 321 HG2 PRO 39 2HG PRO 39 -10.861 -2.515 -0.434 322 HG3 PRO 39 1HG PRO 39 -9.261 -2.292 0.298 323 HD2 PRO 39 2HD PRO 39 -11.932 -1.398 1.272 324 HD3 PRO 39 1HD PRO 39 -10.483 -1.842 2.197 325 H SER 40 H SER 40 -11.993 1.418 -0.276 326 HA SER 40 HA SER 40 -11.394 3.516 -2.063 327 HB2 SER 40 2HB SER 40 -13.858 3.180 -0.328 328 HB3 SER 40 1HB SER 40 -13.727 4.215 -1.751 329 HG SER 40 HG SER 40 -14.506 2.441 -2.649 330 H GLN 41 H GLN 41 -11.744 3.485 1.457 331 HA GLN 41 HA GLN 41 -11.825 6.283 1.880 332 HB2 GLN 41 2HB GLN 41 -10.752 4.106 3.698 333 HB3 GLN 41 1HB GLN 41 -11.139 5.747 4.198 334 HG2 GLN 41 2HG GLN 41 -13.137 3.794 3.069 335 HG3 GLN 41 1HG GLN 41 -12.864 4.066 4.788 336 HE21 GLN 41 1HE2 GLN 41 -15.260 4.482 3.133 337 HE22 GLN 41 2HE2 GLN 41 -15.709 6.128 3.393 338 H ILE 42 H ILE 42 -9.098 3.986 1.984 339 HA ILE 42 HA ILE 42 -7.072 5.928 2.397 340 HB ILE 42 HB ILE 42 -6.788 3.205 1.094 341 HG12 ILE 42 2HG1 ILE 42 -6.554 4.011 4.012 342 HG13 ILE 42 1HG1 ILE 42 -7.859 3.056 3.312 343 HG21 ILE 42 1HG2 ILE 42 -4.455 3.332 1.837 344 HG22 ILE 42 2HG2 ILE 42 -4.740 4.951 2.476 345 HG23 ILE 42 3HG2 ILE 42 -4.847 4.656 0.740 346 HD11 ILE 42 3HD1 ILE 42 -6.285 1.653 4.500 347 HD12 ILE 42 1HD1 ILE 42 -4.965 2.243 3.491 348 HD13 ILE 42 2HD1 ILE 42 -6.262 1.285 2.776 349 H TYR 43 H TYR 43 -8.470 4.510 -0.533 350 HA TYR 43 HA TYR 43 -6.767 5.622 -2.450 351 HB2 TYR 43 2HB TYR 43 -8.506 3.902 -2.903 352 HB3 TYR 43 1HB TYR 43 -9.749 5.133 -2.706 353 HD1 TYR 43 HD1 TYR 43 -6.769 4.253 -4.759 354 HD2 TYR 43 HD2 TYR 43 -10.431 6.424 -4.562 355 HE1 TYR 43 HE1 TYR 43 -6.574 4.790 -7.149 356 HE2 TYR 43 HE2 TYR 43 -10.240 6.964 -6.953 357 HH TYR 43 HH TYR 43 -8.046 5.411 -9.023 358 H LYS 44 H LYS 44 -9.691 6.987 -0.940 359 HA LYS 44 HA LYS 44 -9.662 9.473 -2.286 360 HB2 LYS 44 2HB LYS 44 -10.733 8.699 0.436 361 HB3 LYS 44 1HB LYS 44 -10.972 10.285 -0.282 362 HG2 LYS 44 2HG LYS 44 -12.139 9.211 -2.186 363 HG3 LYS 44 1HG LYS 44 -11.968 7.654 -1.371 364 HD2 LYS 44 2HD LYS 44 -14.192 8.658 -0.999 365 HD3 LYS 44 1HD LYS 44 -13.293 8.459 0.507 366 HE2 LYS 44 2HE LYS 44 -12.625 10.838 0.389 367 HE3 LYS 44 1HE LYS 44 -13.595 11.020 -1.071 368 HZ1 LYS 44 3HZ LYS 44 -14.730 11.774 0.949 369 HZ2 LYS 44 1HZ LYS 44 -14.663 10.208 1.576 370 HZ3 LYS 44 2HZ LYS 44 -15.565 10.526 0.181 371 H ASN 45 H ASN 45 -8.076 8.360 0.682 372 HA ASN 45 HA ASN 45 -7.090 10.830 1.579 373 HB2 ASN 45 2HB ASN 45 -7.069 8.857 3.005 374 HB3 ASN 45 1HB ASN 45 -5.923 8.057 1.934 375 HD21 ASN 45 1HD2 ASN 45 -3.774 8.726 1.930 376 HD22 ASN 45 2HD2 ASN 45 -3.116 9.720 3.178 377 H TYR 46 H TYR 46 -5.927 8.705 -0.943 378 HA TYR 46 HA TYR 46 -3.310 9.543 -1.285 379 HB2 TYR 46 2HB TYR 46 -4.202 7.749 -2.620 380 HB3 TYR 46 1HB TYR 46 -5.391 8.816 -3.357 381 HD1 TYR 46 HD1 TYR 46 -1.671 8.530 -2.992 382 HD2 TYR 46 HD2 TYR 46 -4.946 9.604 -5.491 383 HE1 TYR 46 HE1 TYR 46 -0.113 8.968 -4.842 384 HE2 TYR 46 HE2 TYR 46 -3.398 10.045 -7.347 385 HH TYR 46 HH TYR 46 -0.923 10.682 -7.567 386 H TYR 47 H TYR 47 -6.265 11.238 -2.159 387 HA TYR 47 HA TYR 47 -4.905 13.276 -3.700 388 HB2 TYR 47 2HB TYR 47 -7.764 13.235 -2.705 389 HB3 TYR 47 1HB TYR 47 -7.110 14.252 -3.987 390 HD1 TYR 47 HD2 TYR 47 -5.995 12.932 -5.988 391 HD2 TYR 47 HD1 TYR 47 -8.844 11.258 -3.303 392 HE1 TYR 47 HE2 TYR 47 -6.530 11.198 -7.644 393 HE2 TYR 47 HE1 TYR 47 -9.382 9.518 -4.953 394 HH TYR 47 HH TYR 47 -7.467 8.929 -7.693 395 H GLN 48 H GLN 48 -5.060 12.737 -0.475 396 HA GLN 48 HA GLN 48 -5.000 15.600 0.239 397 HB2 GLN 48 2HB GLN 48 -5.571 13.169 1.950 398 HB3 GLN 48 1HB GLN 48 -5.405 14.803 2.582 399 HG2 GLN 48 2HG GLN 48 -7.458 13.989 0.529 400 HG3 GLN 48 1HG GLN 48 -7.756 14.042 2.268 401 HE21 GLN 48 1HE2 GLN 48 -7.156 15.943 -0.591 402 HE22 GLN 48 2HE2 GLN 48 -7.639 17.457 0.082 403 H GLY 49 H GLY 49 -3.347 12.495 0.781 404 HA2 GLY 49 2HA GLY 49 -0.798 13.084 0.407 405 HA3 GLY 49 1HA GLY 49 -1.046 13.883 1.952 406 H ILE 50 H ILE 50 0.597 11.482 1.041 407 HA ILE 50 HA ILE 50 -0.327 9.643 3.173 408 HB ILE 50 HB ILE 50 1.198 8.858 0.670 409 HG12 ILE 50 2HG1 ILE 50 -1.696 8.332 1.426 410 HG13 ILE 50 1HG1 ILE 50 -1.158 9.472 0.198 411 HG21 ILE 50 1HG2 ILE 50 1.756 7.453 2.578 412 HG22 ILE 50 2HG2 ILE 50 0.773 6.547 1.429 413 HG23 ILE 50 3HG2 ILE 50 0.045 7.180 2.907 414 HD11 ILE 50 3HD1 ILE 50 -0.787 6.485 0.121 415 HD12 ILE 50 1HD1 ILE 50 -0.235 7.623 -1.108 416 HD13 ILE 50 2HD1 ILE 50 -1.961 7.420 -0.804 417 H GLU 51 H GLU 51 1.008 9.579 4.844 418 HA GLU 51 HA GLU 51 3.741 10.612 4.594 419 HB2 GLU 51 2HB GLU 51 2.103 9.960 7.059 420 HB3 GLU 51 1HB GLU 51 3.658 10.781 7.041 421 HG2 GLU 51 2HG GLU 51 2.757 12.726 6.101 422 HG3 GLU 51 1HG GLU 51 1.292 11.901 5.570 423 H ILE 52 H ILE 52 5.260 9.093 4.155 424 HA ILE 52 HA ILE 52 4.777 6.312 4.887 425 HB ILE 52 HB ILE 52 7.051 7.496 3.277 426 HG12 ILE 52 2HG1 ILE 52 4.865 7.880 2.203 427 HG13 ILE 52 1HG1 ILE 52 5.823 6.716 1.297 428 HG21 ILE 52 1HG2 ILE 52 6.137 4.632 3.598 429 HG22 ILE 52 2HG2 ILE 52 7.631 5.331 4.224 430 HG23 ILE 52 3HG2 ILE 52 7.388 5.186 2.484 431 HD11 ILE 52 3HD1 ILE 52 3.554 6.066 3.169 432 HD12 ILE 52 1HD1 ILE 52 4.508 4.893 2.262 433 HD13 ILE 52 2HD1 ILE 52 3.492 6.052 1.408 434 H GLN 53 H GLN 53 5.177 6.135 7.101 435 HA GLN 53 HA GLN 53 7.738 6.941 8.202 436 HB2 GLN 53 2HB GLN 53 5.701 6.973 9.599 437 HB3 GLN 53 1HB GLN 53 5.538 5.235 9.404 438 HG2 GLN 53 2HG GLN 53 7.707 4.938 10.563 439 HG3 GLN 53 1HG GLN 53 7.773 6.681 10.820 440 HE21 GLN 53 1HE2 GLN 53 7.748 6.476 13.058 441 HE22 GLN 53 2HE2 GLN 53 6.334 6.001 13.928 442 H GLN 54 H GLN 54 9.181 5.825 6.859 443 HA GLN 54 HA GLN 54 9.042 3.052 6.305 444 HB2 GLN 54 2HB GLN 54 11.406 4.936 6.181 445 HB3 GLN 54 1HB GLN 54 11.334 3.340 5.444 446 HG2 GLN 54 2HG GLN 54 9.582 4.051 3.949 447 HG3 GLN 54 1HG GLN 54 9.476 5.613 4.754 448 HE21 GLN 54 1HE2 GLN 54 11.138 7.123 4.435 449 HE22 GLN 54 2HE2 GLN 54 12.211 7.012 3.087 450 H HIS 55 H HIS 55 10.395 1.321 7.081 451 HA HIS 55 HA HIS 55 11.500 1.730 9.777 452 HB2 HIS 55 2HB HIS 55 9.101 1.236 10.034 453 HB3 HIS 55 1HB HIS 55 9.305 -0.251 9.119 454 HD1 HIS 55 HD1 HIS 55 9.080 -2.122 10.717 455 HD2 HIS 55 HD2 HIS 55 11.260 1.022 12.341 456 HE1 HIS 55 HE1 HIS 55 9.849 -2.925 12.967 457 HE2 HIS 55 HE2 HIS 55 11.110 -0.989 13.957 458 H LYS 56 H LYS 56 12.280 0.615 6.872 459 HA LYS 56 HA LYS 56 13.982 -1.503 7.997 460 HB2 LYS 56 2HB LYS 56 11.791 -2.000 6.267 461 HB3 LYS 56 1HB LYS 56 13.241 -2.232 5.302 462 HG2 LYS 56 2HG LYS 56 14.091 -3.817 6.988 463 HG3 LYS 56 1HG LYS 56 12.605 -3.603 7.915 464 HD2 LYS 56 2HD LYS 56 11.302 -4.484 6.033 465 HD3 LYS 56 1HD LYS 56 12.782 -4.673 5.092 466 HE2 LYS 56 2HE LYS 56 12.127 -6.810 6.022 467 HE3 LYS 56 1HE LYS 56 13.623 -6.269 6.777 468 HZ1 LYS 56 3HZ LYS 56 12.278 -5.473 8.671 469 HZ2 LYS 56 1HZ LYS 56 12.170 -7.145 8.440 470 HZ3 LYS 56 2HZ LYS 56 10.897 -6.145 7.954 471 H TYR 57 H TYR 57 15.095 -2.211 5.411 472 HA TYR 57 HA TYR 57 17.207 -0.321 5.330 473 HB2 TYR 57 2HB TYR 57 16.514 -2.679 3.570 474 HB3 TYR 57 1HB TYR 57 17.969 -1.712 3.343 475 HD1 TYR 57 HD2 TYR 57 16.180 -3.504 6.111 476 HD2 TYR 57 HD1 TYR 57 19.908 -2.483 4.333 477 HE1 TYR 57 HE2 TYR 57 17.352 -4.855 7.799 478 HE2 TYR 57 HE1 TYR 57 21.086 -3.826 6.019 479 HH TYR 57 HH TYR 57 20.587 -4.619 8.422 480 H GLN 58 H GLN 58 16.276 1.700 4.796 481 HA GLN 58 HA GLN 58 15.003 1.944 2.165 482 HB2 GLN 58 2HB GLN 58 15.212 4.045 4.325 483 HB3 GLN 58 1HB GLN 58 14.174 4.081 2.906 484 HG2 GLN 58 2HG GLN 58 13.958 2.279 5.305 485 HG3 GLN 58 1HG GLN 58 12.835 3.530 4.785 486 HE21 GLN 58 1HE2 GLN 58 12.987 2.718 1.964 487 HE22 GLN 58 2HE2 GLN 58 12.088 1.254 1.856 488 H ASN 59 H ASN 59 18.065 2.415 3.521 489 HA ASN 59 HA ASN 59 18.949 4.590 1.897 490 HB2 ASN 59 2HB ASN 59 20.196 3.872 3.896 491 HB3 ASN 59 1HB ASN 59 20.535 2.319 3.139 492 HD21 ASN 59 1HD2 ASN 59 21.286 5.719 3.159 493 HD22 ASN 59 2HD2 ASN 59 22.708 5.601 2.185 494 H GLU 60 H GLU 60 18.472 1.197 1.373 495 HA GLU 60 HA GLU 60 19.892 1.125 -1.154 496 HB2 GLU 60 2HB GLU 60 19.813 -0.831 0.391 497 HB3 GLU 60 1HB GLU 60 18.082 -0.953 0.108 498 HG2 GLU 60 2HG GLU 60 19.315 -2.581 -1.213 499 HG3 GLU 60 1HG GLU 60 18.480 -1.422 -2.248 500 H LEU 61 H LEU 61 16.483 0.679 -0.139 501 HA LEU 61 HA LEU 61 15.659 1.570 -2.827 502 HB2 LEU 61 2HB LEU 61 13.623 0.136 -2.518 503 HB3 LEU 61 1HB LEU 61 15.134 -0.728 -2.708 504 HG LEU 61 HG LEU 61 15.111 -0.839 -0.092 505 HD11 LEU 61 1HD1 LEU 61 13.227 0.672 0.258 506 HD12 LEU 61 2HD1 LEU 61 12.874 -0.940 0.878 507 HD13 LEU 61 3HD1 LEU 61 12.177 -0.414 -0.654 508 HD21 LEU 61 3HD2 LEU 61 14.960 -2.783 -1.530 509 HD22 LEU 61 1HD2 LEU 61 13.242 -2.486 -1.795 510 HD23 LEU 61 2HD2 LEU 61 13.824 -2.932 -0.190 511 H ASP 62 H ASP 62 13.831 2.879 -3.017 512 HA ASP 62 HA ASP 62 13.234 4.451 -0.587 513 HB2 ASP 62 2HB ASP 62 14.508 5.553 -2.419 514 HB3 ASP 62 1HB ASP 62 13.162 5.259 -3.507 515 H ILE 63 H ILE 63 11.173 4.289 0.179 516 HA ILE 63 HA ILE 63 9.163 2.984 -1.517 517 HB ILE 63 HB ILE 63 9.270 3.402 1.472 518 HG12 ILE 63 2HG1 ILE 63 9.462 0.905 -0.238 519 HG13 ILE 63 1HG1 ILE 63 10.800 1.683 0.597 520 HG21 ILE 63 1HG2 ILE 63 6.950 3.531 0.781 521 HG22 ILE 63 2HG2 ILE 63 7.241 1.988 1.582 522 HG23 ILE 63 3HG2 ILE 63 7.122 2.060 -0.176 523 HD11 ILE 63 3HD1 ILE 63 10.036 -0.285 1.789 524 HD12 ILE 63 1HD1 ILE 63 8.414 0.394 1.907 525 HD13 ILE 63 2HD1 ILE 63 9.758 1.170 2.746 526 H LYS 64 H LYS 64 7.774 4.237 -2.578 527 HA LYS 64 HA LYS 64 6.297 6.297 -1.090 528 HB2 LYS 64 2HB LYS 64 7.525 6.661 -3.835 529 HB3 LYS 64 1HB LYS 64 6.291 7.728 -3.177 530 HG2 LYS 64 2HG LYS 64 7.759 8.413 -1.391 531 HG3 LYS 64 1HG LYS 64 8.977 7.240 -1.887 532 HD2 LYS 64 2HD LYS 64 8.033 9.608 -3.519 533 HD3 LYS 64 1HD LYS 64 9.547 9.512 -2.620 534 HE2 LYS 64 2HE LYS 64 10.092 7.468 -4.043 535 HE3 LYS 64 1HE LYS 64 8.726 7.936 -5.055 536 HZ1 LYS 64 3HZ LYS 64 11.047 9.683 -4.454 537 HZ2 LYS 64 1HZ LYS 64 9.789 10.014 -5.532 538 HZ3 LYS 64 2HZ LYS 64 10.882 8.769 -5.867 539 H ILE 65 H ILE 65 4.123 6.061 -1.324 540 HA ILE 65 HA ILE 65 3.166 3.952 -3.119 541 HB ILE 65 HB ILE 65 1.675 5.430 -0.933 542 HG12 ILE 65 2HG1 ILE 65 2.988 2.692 -0.882 543 HG13 ILE 65 1HG1 ILE 65 3.584 4.128 -0.054 544 HG21 ILE 65 1HG2 ILE 65 0.191 4.467 -2.628 545 HG22 ILE 65 2HG2 ILE 65 0.042 3.616 -1.092 546 HG23 ILE 65 3HG2 ILE 65 0.958 2.893 -2.416 547 HD11 ILE 65 3HD1 ILE 65 2.434 2.634 1.474 548 HD12 ILE 65 1HD1 ILE 65 0.970 2.737 0.495 549 HD13 ILE 65 2HD1 ILE 65 1.576 4.167 1.332 550 H ILE 66 H ILE 66 1.544 4.217 -4.672 551 HA ILE 66 HA ILE 66 0.700 6.992 -5.254 552 HB ILE 66 HB ILE 66 1.307 4.858 -7.315 553 HG12 ILE 66 2HG1 ILE 66 2.867 7.357 -6.584 554 HG13 ILE 66 1HG1 ILE 66 3.364 5.700 -6.252 555 HG21 ILE 66 1HG2 ILE 66 -0.460 6.373 -8.032 556 HG22 ILE 66 2HG2 ILE 66 1.014 6.664 -8.955 557 HG23 ILE 66 3HG2 ILE 66 0.556 7.765 -7.655 558 HD11 ILE 66 3HD1 ILE 66 3.517 5.264 -8.645 559 HD12 ILE 66 1HD1 ILE 66 4.538 6.620 -8.172 560 HD13 ILE 66 2HD1 ILE 66 3.001 6.916 -8.986 561 H ASN 67 H ASN 67 -0.272 3.987 -6.907 562 HA ASN 67 HA ASN 67 -3.074 4.770 -6.475 563 HB2 ASN 67 2HB ASN 67 -2.273 4.565 -8.801 564 HB3 ASN 67 1HB ASN 67 -1.872 2.876 -8.512 565 HD21 ASN 67 1HD2 ASN 67 -3.255 2.062 -10.030 566 HD22 ASN 67 2HD2 ASN 67 -4.972 2.131 -9.886 567 H PHE 68 H PHE 68 -4.703 3.164 -6.057 568 HA PHE 68 HA PHE 68 -3.722 0.712 -4.717 569 HB2 PHE 68 2HB PHE 68 -6.194 2.317 -3.996 570 HB3 PHE 68 1HB PHE 68 -5.593 0.890 -3.156 571 HD1 PHE 68 HD2 PHE 68 -3.583 1.020 -1.758 572 HD2 PHE 68 HD1 PHE 68 -5.187 4.481 -3.660 573 HE1 PHE 68 HE2 PHE 68 -2.229 2.455 -0.287 574 HE2 PHE 68 HE1 PHE 68 -3.833 5.918 -2.192 575 HZ PHE 68 HZ PHE 68 -2.352 4.905 -0.503 576 H LEU 69 H LEU 69 -4.474 -1.163 -5.546 577 HA LEU 69 HA LEU 69 -6.793 -1.080 -7.380 578 HB2 LEU 69 2HB LEU 69 -4.350 -2.858 -7.566 579 HB3 LEU 69 1HB LEU 69 -5.733 -2.915 -8.640 580 HG LEU 69 HG LEU 69 -5.147 -0.493 -9.267 581 HD11 LEU 69 1HD1 LEU 69 -2.535 -1.276 -7.970 582 HD12 LEU 69 2HD1 LEU 69 -3.635 -0.012 -7.414 583 HD13 LEU 69 3HD1 LEU 69 -2.812 0.155 -8.962 584 HD21 LEU 69 3HD2 LEU 69 -4.793 -2.382 -10.763 585 HD22 LEU 69 1HD2 LEU 69 -3.242 -2.719 -9.994 586 HD23 LEU 69 2HD2 LEU 69 -3.472 -1.222 -10.897 587 H TYR 70 H TYR 70 -8.241 -2.826 -7.358 588 HA TYR 70 HA TYR 70 -8.381 -4.333 -4.903 589 HB2 TYR 70 2HB TYR 70 -10.092 -4.556 -7.396 590 HB3 TYR 70 1HB TYR 70 -10.458 -5.268 -5.830 591 HD1 TYR 70 HD1 TYR 70 -10.010 -3.141 -3.921 592 HD2 TYR 70 HD2 TYR 70 -11.643 -2.908 -7.843 593 HE1 TYR 70 HE1 TYR 70 -11.250 -1.115 -3.281 594 HE2 TYR 70 HE2 TYR 70 -12.878 -0.877 -7.218 595 HH TYR 70 HH TYR 70 -12.273 0.832 -4.316 596 HA PRO 71 HA PRO 71 -5.994 -7.889 -5.912 597 HB2 PRO 71 2HB PRO 71 -7.665 -9.886 -4.868 598 HB3 PRO 71 1HB PRO 71 -6.436 -8.980 -3.980 599 HG2 PRO 71 2HG PRO 71 -9.384 -8.538 -4.128 600 HG3 PRO 71 1HG PRO 71 -8.283 -8.329 -2.753 601 HD2 PRO 71 2HD PRO 71 -9.229 -6.226 -4.123 602 HD3 PRO 71 1HD PRO 71 -7.570 -6.238 -3.487 603 H ASP 72 H ASP 72 -9.262 -9.344 -6.210 604 HA ASP 72 HA ASP 72 -8.511 -10.658 -8.645 605 HB2 ASP 72 2HB ASP 72 -11.222 -10.421 -7.312 606 HB3 ASP 72 1HB ASP 72 -10.847 -11.496 -8.656 607 H GLY 73 H GLY 73 -10.036 -7.638 -7.914 608 HA2 GLY 73 2HA GLY 73 -9.661 -6.213 -10.055 609 HA3 GLY 73 1HA GLY 73 -10.864 -7.300 -10.722 610 H ASP 74 H ASP 74 -12.824 -7.465 -8.916 611 HA ASP 74 HA ASP 74 -13.912 -4.760 -9.110 612 HB2 ASP 74 2HB ASP 74 -15.296 -7.371 -8.454 613 HB3 ASP 74 1HB ASP 74 -16.091 -5.829 -8.766 614 H PHE 75 H PHE 75 -15.552 -4.136 -7.384 615 HA PHE 75 HA PHE 75 -14.246 -3.642 -4.962 616 HB2 PHE 75 2HB PHE 75 -16.478 -2.827 -4.171 617 HB3 PHE 75 1HB PHE 75 -15.990 -2.168 -5.728 618 HD1 PHE 75 HD1 PHE 75 -17.071 -2.988 -7.815 619 HD2 PHE 75 HD2 PHE 75 -18.443 -4.167 -3.956 620 HE1 PHE 75 HE1 PHE 75 -19.197 -3.740 -8.801 621 HE2 PHE 75 HE2 PHE 75 -20.564 -4.920 -4.940 622 HZ PHE 75 HZ PHE 75 -20.946 -4.707 -7.362 623 H GLY 76 H GLY 76 -16.632 -6.139 -5.780 624 HA2 GLY 76 2HA GLY 76 -17.143 -7.145 -3.215 625 HA3 GLY 76 1HA GLY 76 -17.245 -8.079 -4.701 626 H SER 77 H SER 77 -14.522 -7.876 -5.466 627 HA SER 77 HA SER 77 -13.323 -10.029 -4.173 628 HB2 SER 77 2HB SER 77 -12.577 -9.394 -6.363 629 HB3 SER 77 1HB SER 77 -12.096 -7.793 -5.802 630 HG SER 77 HG SER 77 -10.910 -10.295 -5.192 631 H ALA 78 H ALA 78 -12.618 -6.559 -3.750 632 HA ALA 78 HA ALA 78 -10.594 -6.819 -1.839 633 HB1 ALA 78 3HB ALA 78 -12.556 -4.545 -2.132 634 HB2 ALA 78 1HB ALA 78 -11.085 -4.754 -3.084 635 HB3 ALA 78 2HB ALA 78 -10.978 -4.477 -1.344 636 H ASN 79 H ASN 79 -14.110 -6.696 -1.420 637 HA ASN 79 HA ASN 79 -13.968 -6.456 1.440 638 HB2 ASN 79 2HB ASN 79 -16.253 -6.997 -0.452 639 HB3 ASN 79 1HB ASN 79 -16.465 -6.938 1.298 640 HD21 ASN 79 1HD2 ASN 79 -15.811 -5.091 -1.563 641 HD22 ASN 79 2HD2 ASN 79 -15.981 -3.536 -0.832 642 H LYS 80 H LYS 80 -14.428 -9.180 -0.782 643 HA LYS 80 HA LYS 80 -15.087 -11.031 1.316 644 HB2 LYS 80 2HB LYS 80 -14.992 -12.760 -0.378 645 HB3 LYS 80 1HB LYS 80 -15.848 -11.367 -1.022 646 HG2 LYS 80 2HG LYS 80 -13.877 -10.700 -2.281 647 HG3 LYS 80 1HG LYS 80 -12.960 -12.032 -1.583 648 HD2 LYS 80 2HD LYS 80 -15.433 -12.372 -3.286 649 HD3 LYS 80 1HD LYS 80 -13.780 -12.482 -3.891 650 HE2 LYS 80 2HE LYS 80 -14.997 -14.252 -1.759 651 HE3 LYS 80 1HE LYS 80 -14.739 -14.702 -3.444 652 HZ1 LYS 80 3HZ LYS 80 -12.974 -15.573 -2.098 653 HZ2 LYS 80 1HZ LYS 80 -12.630 -14.049 -1.452 654 HZ3 LYS 80 2HZ LYS 80 -12.342 -14.359 -3.089 655 H ASN 81 H ASN 81 -12.115 -10.156 -0.391 656 HA ASN 81 HA ASN 81 -10.627 -12.291 0.944 657 HB2 ASN 81 2HB ASN 81 -9.780 -10.277 -1.150 658 HB3 ASN 81 1HB ASN 81 -8.742 -11.545 -0.504 659 HD21 ASN 81 1HD2 ASN 81 -9.628 -11.113 -3.237 660 HD22 ASN 81 2HD2 ASN 81 -10.444 -12.559 -3.707 661 H GLY 82 H GLY 82 -10.944 -8.791 1.039 662 HA2 GLY 82 2HA GLY 82 -10.275 -7.308 2.685 663 HA3 GLY 82 1HA GLY 82 -9.601 -8.659 3.581 664 H THR 83 H THR 83 -8.501 -8.515 0.382 665 HA THR 83 HA THR 83 -5.911 -7.439 1.275 666 HB THR 83 HB THR 83 -4.971 -8.538 -0.756 667 HG1 THR 83 HG1 THR 83 -6.293 -9.922 -1.956 668 HG21 THR 83 3HG2 THR 83 -6.549 -10.396 1.039 669 HG22 THR 83 1HG2 THR 83 -4.956 -9.725 1.395 670 HG23 THR 83 2HG2 THR 83 -5.160 -10.843 0.048 671 H LEU 84 H LEU 84 -4.696 -6.063 -0.160 672 HA LEU 84 HA LEU 84 -6.157 -4.721 -2.314 673 HB2 LEU 84 2HB LEU 84 -6.638 -3.462 -0.212 674 HB3 LEU 84 1HB LEU 84 -4.917 -3.200 -0.009 675 HG LEU 84 HG LEU 84 -4.912 -1.944 -2.182 676 HD11 LEU 84 1HD1 LEU 84 -7.034 -1.187 -3.107 677 HD12 LEU 84 2HD1 LEU 84 -7.912 -2.163 -1.929 678 HD13 LEU 84 3HD1 LEU 84 -6.920 -2.946 -3.158 679 HD21 LEU 84 3HD2 LEU 84 -4.978 -0.748 -0.064 680 HD22 LEU 84 1HD2 LEU 84 -6.737 -0.887 -0.014 681 HD23 LEU 84 2HD2 LEU 84 -5.963 0.084 -1.267 682 H LYS 85 H LYS 85 -4.818 -3.900 -3.914 683 HA LYS 85 HA LYS 85 -1.969 -4.567 -3.653 684 HB2 LYS 85 2HB LYS 85 -3.661 -4.014 -6.096 685 HB3 LYS 85 1HB LYS 85 -1.930 -4.329 -6.144 686 HG2 LYS 85 2HG LYS 85 -2.340 -6.551 -5.134 687 HG3 LYS 85 1HG LYS 85 -4.076 -6.225 -5.194 688 HD2 LYS 85 2HD LYS 85 -3.992 -6.055 -7.614 689 HD3 LYS 85 1HD LYS 85 -2.240 -6.263 -7.597 690 HE2 LYS 85 2HE LYS 85 -2.534 -8.515 -6.643 691 HE3 LYS 85 1HE LYS 85 -4.283 -8.301 -6.700 692 HZ1 LYS 85 3HZ LYS 85 -3.440 -9.572 -8.581 693 HZ2 LYS 85 1HZ LYS 85 -2.483 -8.262 -9.058 694 HZ3 LYS 85 2HZ LYS 85 -4.167 -8.131 -9.088 695 H LEU 86 H LEU 86 -0.772 -2.933 -2.929 696 HA LEU 86 HA LEU 86 -1.383 -0.177 -3.655 697 HB2 LEU 86 2HB LEU 86 0.693 -1.391 -1.827 698 HB3 LEU 86 1HB LEU 86 0.641 0.321 -2.197 699 HG LEU 86 HG LEU 86 -1.656 0.414 -1.210 700 HD11 LEU 86 1HD1 LEU 86 -2.414 -1.415 0.216 701 HD12 LEU 86 2HD1 LEU 86 -1.065 -2.409 -0.338 702 HD13 LEU 86 3HD1 LEU 86 -2.316 -1.904 -1.475 703 HD21 LEU 86 3HD2 LEU 86 -0.913 0.357 1.099 704 HD22 LEU 86 1HD2 LEU 86 0.331 1.060 0.066 705 HD23 LEU 86 2HD2 LEU 86 0.498 -0.599 0.643 706 H SER 87 H SER 87 -0.260 1.047 -5.086 707 HA SER 87 HA SER 87 1.857 -0.256 -6.652 708 HB2 SER 87 2HB SER 87 0.458 2.382 -7.191 709 HB3 SER 87 1HB SER 87 1.514 1.509 -8.300 710 HG SER 87 HG SER 87 -0.745 0.197 -7.284 711 H LEU 88 H LEU 88 3.779 -0.041 -5.571 712 HA LEU 88 HA LEU 88 4.514 2.588 -4.490 713 HB2 LEU 88 2HB LEU 88 5.710 -0.160 -4.162 714 HB3 LEU 88 1HB LEU 88 6.555 1.285 -3.645 715 HG LEU 88 HG LEU 88 4.646 1.807 -2.120 716 HD11 LEU 88 1HD1 LEU 88 3.029 0.063 -1.594 717 HD12 LEU 88 2HD1 LEU 88 3.688 -0.954 -2.875 718 HD13 LEU 88 3HD1 LEU 88 2.889 0.567 -3.277 719 HD21 LEU 88 3HD2 LEU 88 5.937 -0.887 -1.675 720 HD22 LEU 88 1HD2 LEU 88 5.243 0.160 -0.437 721 HD23 LEU 88 2HD2 LEU 88 6.677 0.674 -1.325 722 H MET 89 H MET 89 6.115 3.847 -5.309 723 HA MET 89 HA MET 89 7.560 2.853 -7.674 724 HB2 MET 89 2HB MET 89 8.025 5.275 -8.140 725 HB3 MET 89 1HB MET 89 6.331 4.822 -8.225 726 HG2 MET 89 2HG MET 89 5.937 5.802 -6.037 727 HG3 MET 89 1HG MET 89 7.649 6.202 -5.890 728 HE1 MET 89 3HE MET 89 5.175 8.274 -5.565 729 HE2 MET 89 1HE MET 89 5.824 9.683 -6.402 730 HE3 MET 89 2HE MET 89 6.859 8.741 -5.328 731 H LEU 90 H LEU 90 9.418 1.962 -7.056 732 HA LEU 90 HA LEU 90 10.902 2.893 -4.758 733 HB2 LEU 90 2HB LEU 90 11.447 0.708 -6.776 734 HB3 LEU 90 1HB LEU 90 12.513 1.069 -5.435 735 HG LEU 90 HG LEU 90 11.184 -0.850 -4.874 736 HD11 LEU 90 1HD1 LEU 90 10.111 -0.112 -2.809 737 HD12 LEU 90 2HD1 LEU 90 10.179 1.561 -3.364 738 HD13 LEU 90 3HD1 LEU 90 11.672 0.676 -3.043 739 HD21 LEU 90 3HD2 LEU 90 8.752 -0.808 -4.759 740 HD22 LEU 90 1HD2 LEU 90 9.311 -0.482 -6.399 741 HD23 LEU 90 2HD2 LEU 90 8.735 0.842 -5.384 742 H THR 91 H THR 91 12.213 4.608 -4.889 743 HA THR 91 HA THR 91 13.317 5.499 -7.419 744 HB THR 91 HB THR 91 13.916 6.636 -4.674 745 HG1 THR 91 HG1 THR 91 11.831 7.061 -4.712 746 HG21 THR 91 3HG2 THR 91 14.373 8.704 -5.914 747 HG22 THR 91 1HG2 THR 91 14.029 7.875 -7.430 748 HG23 THR 91 2HG2 THR 91 15.421 7.394 -6.459 749 H ASP 92 H ASP 92 15.076 4.443 -8.214 750 HA ASP 92 HA ASP 92 17.036 3.120 -6.673 751 HB2 ASP 92 2HB ASP 92 17.253 4.267 -9.469 752 HB3 ASP 92 1HB ASP 92 18.388 3.125 -8.750 753 H LYS 93 H LYS 93 18.287 4.091 -5.208 754 HA LYS 93 HA LYS 93 18.650 6.853 -4.997 755 HB2 LYS 93 2HB LYS 93 20.146 4.563 -3.724 756 HB3 LYS 93 1HB LYS 93 20.414 6.246 -3.287 757 HG2 LYS 93 2HG LYS 93 17.787 4.775 -3.059 758 HG3 LYS 93 1HG LYS 93 18.893 5.129 -1.729 759 HD2 LYS 93 2HD LYS 93 18.588 7.518 -2.069 760 HD3 LYS 93 1HD LYS 93 17.563 7.215 -3.470 761 HE2 LYS 93 2HE LYS 93 15.961 6.037 -1.980 762 HE3 LYS 93 1HE LYS 93 16.960 6.495 -0.601 763 HZ1 LYS 93 3HZ LYS 93 16.522 8.780 -1.006 764 HZ2 LYS 93 1HZ LYS 93 15.028 7.984 -1.038 765 HZ3 LYS 93 2HZ LYS 93 15.775 8.458 -2.483 766 H LYS 94 H LYS 94 21.041 4.422 -6.096 767 HA LYS 94 HA LYS 94 22.998 6.466 -6.621 768 HB2 LYS 94 2HB LYS 94 24.486 4.722 -7.327 769 HB3 LYS 94 1HB LYS 94 23.644 4.171 -5.889 770 HG2 LYS 94 2HG LYS 94 22.786 3.398 -8.671 771 HG3 LYS 94 1HG LYS 94 23.975 2.481 -7.746 772 HD2 LYS 94 2HD LYS 94 21.185 3.075 -6.749 773 HD3 LYS 94 1HD LYS 94 21.606 1.613 -7.640 774 HE2 LYS 94 2HE LYS 94 23.201 0.994 -5.904 775 HE3 LYS 94 1HE LYS 94 22.849 2.482 -5.026 776 HZ1 LYS 94 3HZ LYS 94 21.670 0.488 -4.175 777 HZ2 LYS 94 1HZ LYS 94 20.816 0.408 -5.629 778 HZ3 LYS 94 2HZ LYS 94 20.640 1.749 -4.619 779 H ASN 95 H ASN 95 20.613 4.781 -8.572 780 HA ASN 95 HA ASN 95 21.828 5.718 -11.066 781 HB2 ASN 95 2HB ASN 95 19.325 4.059 -10.678 782 HB3 ASN 95 1HB ASN 95 20.171 4.342 -12.198 783 HD21 ASN 95 1HD2 ASN 95 22.190 3.348 -12.531 784 HD22 ASN 95 2HD2 ASN 95 22.661 1.967 -11.609 785 H ASN 96 H ASN 96 19.486 6.824 -8.863 786 HA ASN 96 HA ASN 96 17.919 8.475 -8.877 787 HB2 ASN 96 2HB ASN 96 19.325 9.349 -11.418 788 HB3 ASN 96 1HB ASN 96 18.198 10.333 -10.486 789 HD21 ASN 96 1HD2 ASN 96 21.383 9.011 -10.651 790 HD22 ASN 96 2HD2 ASN 96 22.042 9.913 -9.334 791 H GLN 97 H GLN 97 17.243 5.966 -10.075 792 HA GLN 97 HA GLN 97 15.400 6.725 -12.253 793 HB2 GLN 97 2HB GLN 97 16.438 3.983 -11.483 794 HB3 GLN 97 1HB GLN 97 15.351 4.324 -12.822 795 HG2 GLN 97 2HG GLN 97 18.183 5.316 -12.545 796 HG3 GLN 97 1HG GLN 97 17.641 4.000 -13.583 797 HE21 GLN 97 1HE2 GLN 97 18.977 6.504 -14.257 798 HE22 GLN 97 2HE2 GLN 97 17.942 7.294 -15.392 799 H VAL 98 H VAL 98 13.561 4.756 -12.210 800 HA VAL 98 HA VAL 98 12.462 4.508 -9.517 801 HB VAL 98 HB VAL 98 11.508 6.615 -10.267 802 HG11 VAL 98 1HG1 VAL 98 10.467 5.089 -12.659 803 HG12 VAL 98 2HG1 VAL 98 11.718 6.331 -12.675 804 HG13 VAL 98 3HG1 VAL 98 10.060 6.756 -12.249 805 HG21 VAL 98 3HG2 VAL 98 9.131 6.097 -10.016 806 HG22 VAL 98 1HG2 VAL 98 10.103 5.133 -8.906 807 HG23 VAL 98 2HG2 VAL 98 9.448 4.399 -10.371 808 H TYR 99 H TYR 99 11.574 2.568 -9.217 809 HA TYR 99 HA TYR 99 10.631 1.025 -11.557 810 HB2 TYR 99 2HB TYR 99 12.648 0.021 -10.656 811 HB3 TYR 99 1HB TYR 99 11.973 0.029 -9.031 812 HD1 TYR 99 HD2 TYR 99 11.400 -1.402 -12.438 813 HD2 TYR 99 HD1 TYR 99 10.839 -1.873 -8.235 814 HE1 TYR 99 HE2 TYR 99 10.509 -3.664 -12.812 815 HE2 TYR 99 HE1 TYR 99 9.951 -4.136 -8.605 816 HH TYR 99 HH TYR 99 10.214 -5.743 -11.623 817 H TYR 100 H TYR 100 8.502 0.668 -11.554 818 HA TYR 100 HA TYR 100 6.914 1.129 -9.172 819 HB2 TYR 100 2HB TYR 100 6.037 0.263 -11.944 820 HB3 TYR 100 1HB TYR 100 4.985 0.842 -10.655 821 HD1 TYR 100 HD2 TYR 100 5.352 3.249 -9.814 822 HD2 TYR 100 HD1 TYR 100 7.001 1.784 -13.461 823 HE1 TYR 100 HE2 TYR 100 5.664 5.558 -10.599 824 HE2 TYR 100 HE1 TYR 100 7.316 4.090 -14.249 825 HH TYR 100 HH TYR 100 6.216 6.373 -13.742 826 H LYS 101 H LYS 101 5.951 -0.372 -7.909 827 HA LYS 101 HA LYS 101 6.066 -3.219 -8.666 828 HB2 LYS 101 2HB LYS 101 8.056 -2.728 -7.309 829 HB3 LYS 101 1HB LYS 101 7.044 -2.046 -6.050 830 HG2 LYS 101 2HG LYS 101 7.546 -4.144 -5.216 831 HG3 LYS 101 1HG LYS 101 5.965 -4.401 -5.949 832 HD2 LYS 101 2HD LYS 101 8.441 -4.918 -7.561 833 HD3 LYS 101 1HD LYS 101 7.930 -6.100 -6.358 834 HE2 LYS 101 2HE LYS 101 6.133 -5.068 -8.550 835 HE3 LYS 101 1HE LYS 101 7.112 -6.527 -8.696 836 HZ1 LYS 101 3HZ LYS 101 4.850 -7.040 -8.033 837 HZ2 LYS 101 1HZ LYS 101 4.993 -6.062 -6.661 838 HZ3 LYS 101 2HZ LYS 101 5.932 -7.461 -6.802 839 H LEU 102 H LEU 102 4.062 -4.025 -8.503 840 HA LEU 102 HA LEU 102 2.105 -2.956 -6.645 841 HB2 LEU 102 2HB LEU 102 2.057 -5.184 -8.677 842 HB3 LEU 102 1HB LEU 102 0.741 -4.962 -7.543 843 HG LEU 102 HG LEU 102 0.193 -3.978 -9.695 844 HD11 LEU 102 1HD1 LEU 102 -0.418 -1.730 -8.958 845 HD12 LEU 102 2HD1 LEU 102 0.682 -1.878 -7.586 846 HD13 LEU 102 3HD1 LEU 102 -0.728 -2.932 -7.705 847 HD21 LEU 102 3HD2 LEU 102 1.415 -2.066 -10.594 848 HD22 LEU 102 1HD2 LEU 102 2.460 -3.485 -10.485 849 HD23 LEU 102 2HD2 LEU 102 2.597 -2.192 -9.292 850 H LEU 103 H LEU 103 1.710 -3.712 -4.628 851 HA LEU 103 HA LEU 103 3.005 -6.243 -3.804 852 HB2 LEU 103 2HB LEU 103 2.148 -3.889 -2.114 853 HB3 LEU 103 1HB LEU 103 2.919 -5.345 -1.511 854 HG LEU 103 HG LEU 103 4.175 -3.313 -3.370 855 HD11 LEU 103 1HD1 LEU 103 3.911 -2.507 -1.073 856 HD12 LEU 103 2HD1 LEU 103 5.607 -2.774 -1.477 857 HD13 LEU 103 3HD1 LEU 103 4.745 -3.941 -0.472 858 HD21 LEU 103 3HD2 LEU 103 6.243 -4.590 -3.069 859 HD22 LEU 103 1HD2 LEU 103 4.994 -5.567 -3.838 860 HD23 LEU 103 2HD2 LEU 103 5.366 -5.799 -2.130 861 H GLU 104 H GLU 104 1.859 -7.790 -2.632 862 HA GLU 104 HA GLU 104 -1.061 -7.426 -2.544 863 HB2 GLU 104 2HB GLU 104 -0.930 -10.029 -2.112 864 HB3 GLU 104 1HB GLU 104 -0.831 -9.366 -3.731 865 HG2 GLU 104 2HG GLU 104 0.803 -11.062 -3.574 866 HG3 GLU 104 1HG GLU 104 1.658 -9.524 -3.567 867 H VAL 105 H VAL 105 -1.621 -6.540 -0.636 868 HA VAL 105 HA VAL 105 -0.634 -7.842 1.835 869 HB VAL 105 HB VAL 105 -0.868 -5.623 2.977 870 HG11 VAL 105 1HG1 VAL 105 1.084 -5.719 0.667 871 HG12 VAL 105 2HG1 VAL 105 1.331 -6.410 2.271 872 HG13 VAL 105 3HG1 VAL 105 1.214 -4.661 2.073 873 HG21 VAL 105 3HG2 VAL 105 -1.205 -4.611 0.150 874 HG22 VAL 105 1HG2 VAL 105 -0.955 -3.599 1.573 875 HG23 VAL 105 2HG2 VAL 105 -2.421 -4.569 1.426 876 H SER 106 H SER 106 -2.107 -7.463 3.752 877 HA SER 106 HA SER 106 -4.944 -7.552 2.919 878 HB2 SER 106 2HB SER 106 -5.301 -9.444 4.463 879 HB3 SER 106 1HB SER 106 -4.126 -9.851 3.214 880 HG SER 106 HG SER 106 -3.821 -9.833 5.892 881 H GLY 107 H GLY 107 -6.412 -7.623 4.964 882 HA2 GLY 107 2HA GLY 107 -6.555 -7.079 7.345 883 HA3 GLY 107 1HA GLY 107 -5.316 -5.867 7.089 884 H PHE 108 H PHE 108 -7.370 -5.665 4.486 885 HA PHE 108 HA PHE 108 -8.419 -3.158 5.542 886 HB2 PHE 108 2HB PHE 108 -8.591 -4.301 2.742 887 HB3 PHE 108 1HB PHE 108 -8.978 -2.647 3.215 888 HD1 PHE 108 HD1 PHE 108 -6.251 -5.095 2.811 889 HD2 PHE 108 HD2 PHE 108 -7.256 -1.019 3.526 890 HE1 PHE 108 HE1 PHE 108 -3.909 -4.455 2.439 891 HE2 PHE 108 HE2 PHE 108 -4.912 -0.374 3.150 892 HZ PHE 108 HZ PHE 108 -3.235 -2.092 2.606 893 H LYS 109 H LYS 109 -9.602 -6.321 5.112 894 HA LYS 109 HA LYS 109 -12.189 -5.710 6.099 895 HB2 LYS 109 2HB LYS 109 -12.321 -4.935 3.654 896 HB3 LYS 109 1HB LYS 109 -12.189 -6.630 3.212 897 HG2 LYS 109 2HG LYS 109 -14.498 -5.981 3.159 898 HG3 LYS 109 1HG LYS 109 -14.252 -7.089 4.509 899 HD2 LYS 109 2HD LYS 109 -14.213 -5.219 6.070 900 HD3 LYS 109 1HD LYS 109 -14.364 -4.074 4.735 901 HE2 LYS 109 2HE LYS 109 -16.411 -6.159 5.508 902 HE3 LYS 109 1HE LYS 109 -16.508 -4.439 5.883 903 HZ1 LYS 109 3HZ LYS 109 -16.700 -3.923 3.584 904 HZ2 LYS 109 1HZ LYS 109 -17.817 -5.146 3.918 905 HZ3 LYS 109 2HZ LYS 109 -16.378 -5.514 3.121 906 H SER 110 H SER 110 -13.618 -7.789 6.034 907 HA SER 110 HA SER 110 -12.244 -10.262 5.485 908 HB2 SER 110 2HB SER 110 -12.281 -11.094 7.828 909 HB3 SER 110 1HB SER 110 -11.200 -9.716 7.624 910 HG SER 110 HG SER 110 -12.416 -9.355 9.451 911 H ASN 111 H ASN 111 -14.434 -9.842 4.226 912 HA ASN 111 HA ASN 111 -16.547 -11.291 5.712 913 HB2 ASN 111 2HB ASN 111 -16.939 -9.064 3.693 914 HB3 ASN 111 1HB ASN 111 -18.237 -10.032 4.384 915 HD21 ASN 111 1HD2 ASN 111 -19.232 -8.264 5.321 916 HD22 ASN 111 2HD2 ASN 111 -18.568 -7.435 6.681 917 HA PRO 112 HA PRO 112 -15.316 -13.598 1.858 918 HB2 PRO 112 2HB PRO 112 -14.989 -16.032 2.982 919 HB3 PRO 112 1HB PRO 112 -13.733 -14.788 3.029 920 HG2 PRO 112 2HG PRO 112 -15.707 -15.569 5.148 921 HG3 PRO 112 1HG PRO 112 -13.976 -15.219 5.310 922 HD2 PRO 112 2HD PRO 112 -15.935 -13.412 5.910 923 HD3 PRO 112 1HD PRO 112 -14.317 -12.941 5.350 924 H TYR 113 H TYR 113 -17.621 -14.655 4.372 925 HA TYR 113 HA TYR 113 -19.250 -15.941 2.285 926 HB2 TYR 113 2HB TYR 113 -20.471 -17.011 4.216 927 HB3 TYR 113 1HB TYR 113 -18.786 -17.479 4.042 928 HD1 TYR 113 HD1 TYR 113 -17.119 -16.787 5.694 929 HD2 TYR 113 HD2 TYR 113 -21.217 -15.706 6.133 930 HE1 TYR 113 HE1 TYR 113 -16.707 -16.197 8.044 931 HE2 TYR 113 HE2 TYR 113 -20.814 -15.120 8.481 932 HH TYR 113 HH TYR 113 -19.223 -15.649 10.265 933 H LEU 114 H LEU 114 -19.478 -13.535 4.895 934 HA LEU 114 HA LEU 114 -22.189 -12.993 4.862 935 HB2 LEU 114 2HB LEU 114 -19.890 -11.069 5.243 936 HB3 LEU 114 1HB LEU 114 -21.563 -10.682 5.605 937 HG LEU 114 HG LEU 114 -19.959 -12.867 6.946 938 HD11 LEU 114 1HD1 LEU 114 -19.145 -10.650 7.547 939 HD12 LEU 114 2HD1 LEU 114 -19.969 -11.416 8.902 940 HD13 LEU 114 3HD1 LEU 114 -20.782 -10.151 7.978 941 HD21 LEU 114 3HD2 LEU 114 -22.724 -11.801 7.527 942 HD22 LEU 114 1HD2 LEU 114 -21.845 -12.971 8.512 943 HD23 LEU 114 2HD2 LEU 114 -22.332 -13.391 6.871 944 H GLU 115 H GLU 115 -19.736 -11.156 3.002 945 HA GLU 115 HA GLU 115 -21.850 -10.019 1.344 946 HB2 GLU 115 2HB GLU 115 -18.885 -9.461 1.543 947 HB3 GLU 115 1HB GLU 115 -19.948 -8.661 0.389 948 HG2 GLU 115 2HG GLU 115 -21.281 -7.758 2.227 949 HG3 GLU 115 1HG GLU 115 -20.247 -8.585 3.389 950 H HIS 116 H HIS 116 -21.048 -12.886 1.141 951 HA HIS 116 HA HIS 116 -19.965 -13.083 -1.554 952 HB2 HIS 116 2HB HIS 116 -19.262 -14.782 0.023 953 HB3 HIS 116 1HB HIS 116 -20.934 -15.189 0.398 954 HD1 HIS 116 HD1 HIS 116 -22.238 -16.587 -1.379 955 HD2 HIS 116 HD2 HIS 116 -18.229 -15.958 -2.287 956 HE1 HIS 116 HE1 HIS 116 -21.704 -18.201 -3.223 957 HE2 HIS 116 HE2 HIS 116 -19.240 -17.923 -3.636 958 H HIS 117 H HIS 117 -21.562 -12.064 -2.815 959 HA HIS 117 HA HIS 117 -23.984 -13.701 -3.218 960 HB2 HIS 117 2HB HIS 117 -23.879 -10.672 -3.246 961 HB3 HIS 117 1HB HIS 117 -25.291 -11.647 -3.647 962 HD1 HIS 117 HD1 HIS 117 -23.803 -9.886 -0.895 963 HD2 HIS 117 HD2 HIS 117 -26.096 -13.328 -1.303 964 HE1 HIS 117 HE1 HIS 117 -24.740 -10.344 1.386 965 HE2 HIS 117 HE2 HIS 117 -26.064 -12.466 1.136 966 H HIS 118 H HIS 118 -21.210 -13.052 -4.557 967 HA HIS 118 HA HIS 118 -22.316 -13.004 -7.294 968 HB2 HIS 118 2HB HIS 118 -19.803 -11.713 -6.234 969 HB3 HIS 118 1HB HIS 118 -19.982 -12.101 -7.942 970 HD1 HIS 118 HD1 HIS 118 -20.703 -10.140 -9.243 971 HD2 HIS 118 HD2 HIS 118 -22.276 -10.073 -5.397 972 HE1 HIS 118 HE1 HIS 118 -22.060 -8.039 -9.109 973 HE2 HIS 118 HE2 HIS 118 -23.170 -8.135 -6.859 974 H HIS 119 H HIS 119 -22.400 -15.217 -7.580 975 HA HIS 119 HA HIS 119 -19.952 -16.787 -7.319 976 HB2 HIS 119 2HB HIS 119 -21.344 -18.689 -8.084 977 HB3 HIS 119 1HB HIS 119 -22.038 -17.874 -6.689 978 HD1 HIS 119 HD1 HIS 119 -24.380 -17.049 -6.899 979 HD2 HIS 119 HD2 HIS 119 -22.744 -18.093 -10.577 980 HE1 HIS 119 HE1 HIS 119 -26.266 -16.894 -8.541 981 HE2 HIS 119 HE2 HIS 119 -25.251 -17.474 -10.767 982 H HIS 120 H HIS 120 -21.418 -14.818 -9.618 983 HA HIS 120 HA HIS 120 -19.634 -15.870 -11.729 984 HB2 HIS 120 2HB HIS 120 -21.994 -16.248 -12.337 985 HB3 HIS 120 1HB HIS 120 -22.342 -14.540 -12.094 986 HD1 HIS 120 HD1 HIS 120 -20.498 -16.860 -14.432 987 HD2 HIS 120 HD2 HIS 120 -21.780 -12.909 -14.264 988 HE1 HIS 120 HE1 HIS 120 -20.134 -15.938 -16.737 989 HE2 HIS 120 HE2 HIS 120 -20.820 -13.524 -16.587 990 H HIS 121 H HIS 121 -18.321 -14.371 -12.733 991 HA HIS 121 HA HIS 121 -18.636 -11.552 -11.924 992 HB2 HIS 121 2HB HIS 121 -16.086 -11.473 -11.769 993 HB3 HIS 121 1HB HIS 121 -16.941 -12.294 -10.470 994 HD1 HIS 121 HD1 HIS 121 -14.722 -12.978 -13.432 995 HD2 HIS 121 HD2 HIS 121 -16.370 -15.005 -10.201 996 HE1 HIS 121 HE1 HIS 121 -13.557 -15.200 -13.367 997 HE2 HIS 121 HE2 HIS 121 -14.443 -16.333 -11.303 Start of MODEL 10 1 H1 MET 1 1H MET 1 21.720 -16.910 1.494 2 H2 MET 1 2H MET 1 22.834 -16.126 2.497 3 H3 MET 1 3H MET 1 23.325 -16.741 1.002 4 HA MET 1 HA MET 1 21.864 -15.186 -0.144 5 HB2 MET 1 2HB MET 1 21.455 -14.023 2.624 6 HB3 MET 1 1HB MET 1 20.832 -13.356 1.120 7 HG2 MET 1 2HG MET 1 20.076 -16.017 2.314 8 HG3 MET 1 1HG MET 1 19.107 -14.544 2.366 9 HE1 MET 1 3HE MET 1 17.232 -17.003 -0.126 10 HE2 MET 1 1HE MET 1 17.098 -16.110 1.388 11 HE3 MET 1 2HE MET 1 18.199 -17.483 1.268 12 H LEU 2 H LEU 2 22.890 -13.384 -1.022 13 HA LEU 2 HA LEU 2 25.616 -13.007 -0.033 14 HB2 LEU 2 2HB LEU 2 24.297 -12.187 -2.627 15 HB3 LEU 2 1HB LEU 2 25.962 -11.825 -2.218 16 HG LEU 2 HG LEU 2 26.387 -14.301 -2.058 17 HD11 LEU 2 1HD1 LEU 2 24.099 -15.063 -1.706 18 HD12 LEU 2 2HD1 LEU 2 24.799 -15.822 -3.134 19 HD13 LEU 2 3HD1 LEU 2 23.648 -14.497 -3.316 20 HD21 LEU 2 3HD2 LEU 2 27.038 -13.027 -4.028 21 HD22 LEU 2 1HD2 LEU 2 25.431 -13.244 -4.721 22 HD23 LEU 2 2HD2 LEU 2 26.486 -14.639 -4.487 23 H SER 3 H SER 3 26.562 -10.998 0.397 24 HA SER 3 HA SER 3 24.972 -9.045 1.648 25 HB2 SER 3 2HB SER 3 27.813 -8.795 0.614 26 HB3 SER 3 1HB SER 3 27.038 -7.675 1.735 27 HG SER 3 HG SER 3 26.706 -10.095 2.742 28 H GLN 4 H GLN 4 26.055 -9.344 -1.653 29 HA GLN 4 HA GLN 4 24.056 -7.382 -2.411 30 HB2 GLN 4 2HB GLN 4 25.527 -6.164 -3.940 31 HB3 GLN 4 1HB GLN 4 26.080 -6.011 -2.281 32 HG2 GLN 4 2HG GLN 4 27.895 -7.514 -2.656 33 HG3 GLN 4 1HG GLN 4 27.254 -7.985 -4.231 34 HE21 GLN 4 1HE2 GLN 4 28.888 -5.488 -2.446 35 HE22 GLN 4 2HE2 GLN 4 29.419 -4.586 -3.817 36 H ALA 5 H ALA 5 22.859 -8.231 -3.968 37 HA ALA 5 HA ALA 5 23.975 -9.389 -6.319 38 HB1 ALA 5 3HB ALA 5 23.020 -11.606 -6.188 39 HB2 ALA 5 1HB ALA 5 22.425 -11.283 -4.557 40 HB3 ALA 5 2HB ALA 5 24.161 -11.356 -4.864 41 H ASN 6 H ASN 6 22.221 -10.216 -7.792 42 HA ASN 6 HA ASN 6 20.325 -8.135 -8.071 43 HB2 ASN 6 2HB ASN 6 20.216 -10.768 -9.540 44 HB3 ASN 6 1HB ASN 6 19.736 -9.171 -10.114 45 HD21 ASN 6 1HD2 ASN 6 21.452 -7.600 -10.395 46 HD22 ASN 6 2HD2 ASN 6 23.012 -8.141 -10.895 47 H GLU 7 H GLU 7 19.938 -11.584 -7.261 48 HA GLU 7 HA GLU 7 17.118 -11.431 -6.937 49 HB2 GLU 7 2HB GLU 7 17.277 -13.672 -5.978 50 HB3 GLU 7 1HB GLU 7 18.235 -13.543 -7.444 51 HG2 GLU 7 2HG GLU 7 20.269 -13.314 -6.079 52 HG3 GLU 7 1HG GLU 7 19.294 -13.489 -4.619 53 H ASP 8 H ASP 8 19.804 -10.956 -4.693 54 HA ASP 8 HA ASP 8 18.137 -10.947 -2.365 55 HB2 ASP 8 2HB ASP 8 20.983 -10.075 -2.842 56 HB3 ASP 8 1HB ASP 8 20.193 -9.896 -1.273 57 H PHE 9 H PHE 9 19.489 -8.345 -4.407 58 HA PHE 9 HA PHE 9 18.446 -6.185 -2.942 59 HB2 PHE 9 2HB PHE 9 19.358 -6.569 -5.754 60 HB3 PHE 9 1HB PHE 9 18.353 -5.162 -5.431 61 HD1 PHE 9 HD2 PHE 9 21.488 -6.863 -4.356 62 HD2 PHE 9 HD1 PHE 9 19.272 -3.223 -4.491 63 HE1 PHE 9 HE2 PHE 9 23.454 -5.637 -3.539 64 HE2 PHE 9 HE1 PHE 9 21.240 -1.993 -3.672 65 HZ PHE 9 HZ PHE 9 23.331 -3.201 -3.192 66 H LYS 10 H LYS 10 16.989 -7.929 -5.725 67 HA LYS 10 HA LYS 10 14.523 -6.547 -5.583 68 HB2 LYS 10 2HB LYS 10 13.635 -8.151 -7.103 69 HB3 LYS 10 1HB LYS 10 15.301 -7.860 -7.570 70 HG2 LYS 10 2HG LYS 10 15.997 -9.952 -6.605 71 HG3 LYS 10 1HG LYS 10 14.382 -10.231 -5.952 72 HD2 LYS 10 2HD LYS 10 15.087 -10.037 -8.886 73 HD3 LYS 10 1HD LYS 10 14.772 -11.531 -8.001 74 HE2 LYS 10 2HE LYS 10 12.484 -10.782 -7.539 75 HE3 LYS 10 1HE LYS 10 12.798 -9.271 -8.390 76 HZ1 LYS 10 3HZ LYS 10 13.178 -10.562 -10.412 77 HZ2 LYS 10 1HZ LYS 10 11.622 -10.802 -9.801 78 HZ3 LYS 10 2HZ LYS 10 12.803 -11.984 -9.585 79 H LYS 11 H LYS 11 15.702 -9.454 -3.953 80 HA LYS 11 HA LYS 11 13.381 -10.424 -2.799 81 HB2 LYS 11 2HB LYS 11 15.543 -11.526 -2.513 82 HB3 LYS 11 1HB LYS 11 16.134 -10.177 -1.554 83 HG2 LYS 11 2HG LYS 11 14.390 -10.689 0.145 84 HG3 LYS 11 1HG LYS 11 13.952 -12.116 -0.796 85 HD2 LYS 11 2HD LYS 11 16.728 -11.611 0.302 86 HD3 LYS 11 1HD LYS 11 15.497 -12.546 1.150 87 HE2 LYS 11 2HE LYS 11 16.877 -14.126 0.055 88 HE3 LYS 11 1HE LYS 11 15.397 -14.039 -0.893 89 HZ1 LYS 11 3HZ LYS 11 17.924 -12.629 -1.560 90 HZ2 LYS 11 1HZ LYS 11 16.516 -12.669 -2.504 91 HZ3 LYS 11 2HZ LYS 11 17.410 -14.079 -2.255 92 H ILE 12 H ILE 12 15.491 -7.816 -1.579 93 HA ILE 12 HA ILE 12 14.046 -7.105 0.698 94 HB ILE 12 HB ILE 12 15.588 -5.269 -1.159 95 HG12 ILE 12 2HG1 ILE 12 16.480 -6.749 1.340 96 HG13 ILE 12 1HG1 ILE 12 16.932 -7.161 -0.310 97 HG21 ILE 12 1HG2 ILE 12 15.799 -3.776 0.770 98 HG22 ILE 12 2HG2 ILE 12 14.797 -4.862 1.734 99 HG23 ILE 12 3HG2 ILE 12 14.105 -4.022 0.345 100 HD11 ILE 12 3HD1 ILE 12 17.661 -4.640 1.165 101 HD12 ILE 12 1HD1 ILE 12 18.078 -4.997 -0.513 102 HD13 ILE 12 2HD1 ILE 12 18.727 -5.992 0.788 103 H VAL 13 H VAL 13 13.652 -5.973 -2.653 104 HA VAL 13 HA VAL 13 11.547 -4.151 -2.146 105 HB VAL 13 HB VAL 13 12.076 -5.626 -4.739 106 HG11 VAL 13 1HG1 VAL 13 10.714 -2.981 -4.203 107 HG12 VAL 13 2HG1 VAL 13 9.923 -4.480 -4.693 108 HG13 VAL 13 3HG1 VAL 13 11.037 -3.672 -5.795 109 HG21 VAL 13 3HG2 VAL 13 13.492 -3.724 -5.360 110 HG22 VAL 13 1HG2 VAL 13 14.121 -4.545 -3.931 111 HG23 VAL 13 2HG2 VAL 13 13.256 -3.017 -3.761 112 H ASN 14 H ASN 14 11.556 -7.612 -2.845 113 HA ASN 14 HA ASN 14 8.669 -7.786 -2.978 114 HB2 ASN 14 2HB ASN 14 10.873 -9.846 -3.007 115 HB3 ASN 14 1HB ASN 14 9.176 -10.311 -2.902 116 HD21 ASN 14 1HD2 ASN 14 11.630 -8.903 -4.931 117 HD22 ASN 14 2HD2 ASN 14 10.724 -8.980 -6.397 118 H ASN 15 H ASN 15 10.887 -7.563 -0.440 119 HA ASN 15 HA ASN 15 9.058 -8.859 1.464 120 HB2 ASN 15 2HB ASN 15 11.945 -8.085 1.563 121 HB3 ASN 15 1HB ASN 15 11.042 -8.102 3.078 122 HD21 ASN 15 1HD2 ASN 15 12.211 -10.033 0.432 123 HD22 ASN 15 2HD2 ASN 15 11.999 -11.563 1.199 124 H ILE 16 H ILE 16 9.096 -6.005 0.032 125 HA ILE 16 HA ILE 16 8.910 -4.173 2.210 126 HB ILE 16 HB ILE 16 7.867 -3.960 -0.622 127 HG12 ILE 16 2HG1 ILE 16 10.305 -2.757 0.725 128 HG13 ILE 16 1HG1 ILE 16 10.322 -4.087 -0.429 129 HG21 ILE 16 1HG2 ILE 16 7.621 -1.554 -0.187 130 HG22 ILE 16 2HG2 ILE 16 8.043 -1.818 1.504 131 HG23 ILE 16 3HG2 ILE 16 6.561 -2.514 0.845 132 HD11 ILE 16 3HD1 ILE 16 9.433 -2.581 -2.149 133 HD12 ILE 16 1HD1 ILE 16 10.975 -2.026 -1.498 134 HD13 ILE 16 2HD1 ILE 16 9.475 -1.254 -0.986 135 H ARG 17 H ARG 17 7.439 -4.495 3.759 136 HA ARG 17 HA ARG 17 4.637 -5.011 2.962 137 HB2 ARG 17 2HB ARG 17 5.920 -6.753 4.403 138 HB3 ARG 17 1HB ARG 17 5.739 -5.595 5.711 139 HG2 ARG 17 2HG ARG 17 3.975 -7.172 5.918 140 HG3 ARG 17 1HG ARG 17 3.253 -5.675 5.320 141 HD2 ARG 17 2HD ARG 17 3.296 -6.584 3.032 142 HD3 ARG 17 1HD ARG 17 3.999 -8.082 3.645 143 HE ARG 17 HE ARG 17 1.475 -7.353 4.848 144 HH11 ARG 17 1HH1 ARG 17 3.050 -9.115 2.343 145 HH12 ARG 17 2HH1 ARG 17 1.669 -10.097 2.013 146 HH21 ARG 17 1HH2 ARG 17 -0.283 -8.633 4.429 147 HH22 ARG 17 2HH2 ARG 17 -0.198 -9.835 3.185 148 H LEU 18 H LEU 18 2.992 -3.822 4.020 149 HA LEU 18 HA LEU 18 3.702 -1.108 4.517 150 HB2 LEU 18 2HB LEU 18 1.189 -0.884 4.959 151 HB3 LEU 18 1HB LEU 18 1.715 -1.362 3.359 152 HG LEU 18 HG LEU 18 1.185 -3.743 3.964 153 HD11 LEU 18 1HD1 LEU 18 -0.107 -2.503 6.394 154 HD12 LEU 18 2HD1 LEU 18 1.297 -3.571 6.393 155 HD13 LEU 18 3HD1 LEU 18 -0.273 -4.181 5.873 156 HD21 LEU 18 3HD2 LEU 18 -1.226 -3.492 3.689 157 HD22 LEU 18 1HD2 LEU 18 -0.352 -2.371 2.646 158 HD23 LEU 18 2HD2 LEU 18 -1.111 -1.787 4.128 159 H LYS 19 H LYS 19 4.578 -3.123 6.592 160 HA LYS 19 HA LYS 19 4.052 -1.429 8.861 161 HB2 LYS 19 2HB LYS 19 2.131 -2.898 9.014 162 HB3 LYS 19 1HB LYS 19 3.153 -4.319 8.872 163 HG2 LYS 19 2HG LYS 19 3.882 -4.186 11.053 164 HG3 LYS 19 1HG LYS 19 3.630 -2.442 11.146 165 HD2 LYS 19 2HD LYS 19 2.020 -3.816 12.503 166 HD3 LYS 19 1HD LYS 19 1.263 -2.713 11.353 167 HE2 LYS 19 2HE LYS 19 0.990 -4.609 9.780 168 HE3 LYS 19 1HE LYS 19 1.668 -5.687 11.000 169 HZ1 LYS 19 3HZ LYS 19 -0.765 -5.707 10.968 170 HZ2 LYS 19 1HZ LYS 19 -0.797 -4.060 11.348 171 HZ3 LYS 19 2HZ LYS 19 -0.163 -5.172 12.452 172 H ASP 20 H ASP 20 5.450 -4.577 7.878 173 HA ASP 20 HA ASP 20 7.655 -4.576 9.619 174 HB2 ASP 20 2HB ASP 20 7.080 -6.561 8.340 175 HB3 ASP 20 1HB ASP 20 7.352 -5.716 6.821 176 H THR 21 H THR 21 7.258 -3.161 6.396 177 HA THR 21 HA THR 21 10.046 -2.307 6.314 178 HB THR 21 HB THR 21 7.851 -2.050 4.246 179 HG1 THR 21 HG1 THR 21 9.336 -4.133 5.041 180 HG21 THR 21 3HG2 THR 21 9.593 -0.356 3.915 181 HG22 THR 21 1HG2 THR 21 9.669 -1.594 2.662 182 HG23 THR 21 2HG2 THR 21 10.833 -1.609 3.985 183 H PHE 22 H PHE 22 6.841 -0.753 6.021 184 HA PHE 22 HA PHE 22 7.926 1.679 7.198 185 HB2 PHE 22 2HB PHE 22 7.214 3.133 5.376 186 HB3 PHE 22 1HB PHE 22 8.356 1.941 4.766 187 HD1 PHE 22 HD1 PHE 22 7.433 -0.078 3.514 188 HD2 PHE 22 HD2 PHE 22 5.068 3.351 4.422 189 HE1 PHE 22 HE1 PHE 22 5.817 -0.730 1.781 190 HE2 PHE 22 HE2 PHE 22 3.452 2.694 2.687 191 HZ PHE 22 HZ PHE 22 3.825 0.653 1.365 192 H ASP 23 H ASP 23 6.465 2.560 8.548 193 HA ASP 23 HA ASP 23 3.685 1.729 8.506 194 HB2 ASP 23 2HB ASP 23 5.176 3.699 10.265 195 HB3 ASP 23 1HB ASP 23 3.494 3.233 10.497 196 H PHE 24 H PHE 24 2.264 2.691 7.145 197 HA PHE 24 HA PHE 24 2.824 5.436 6.246 198 HB2 PHE 24 2HB PHE 24 1.496 5.007 4.311 199 HB3 PHE 24 1HB PHE 24 2.543 3.613 4.529 200 HD1 PHE 24 HD1 PHE 24 1.499 1.548 5.716 201 HD2 PHE 24 HD2 PHE 24 -0.789 4.731 4.035 202 HE1 PHE 24 HE1 PHE 24 -0.474 0.079 5.610 203 HE2 PHE 24 HE2 PHE 24 -2.759 3.264 3.931 204 HZ PHE 24 HZ PHE 24 -2.603 0.934 4.718 205 H LYS 25 H LYS 25 1.589 7.110 6.830 206 HA LYS 25 HA LYS 25 -0.855 6.573 8.387 207 HB2 LYS 25 2HB LYS 25 0.881 7.867 9.532 208 HB3 LYS 25 1HB LYS 25 0.876 9.056 8.236 209 HG2 LYS 25 2HG LYS 25 -1.480 9.595 8.793 210 HG3 LYS 25 1HG LYS 25 -1.386 8.470 10.150 211 HD2 LYS 25 2HD LYS 25 0.330 10.934 9.764 212 HD3 LYS 25 1HD LYS 25 -1.036 10.793 10.870 213 HE2 LYS 25 2HE LYS 25 0.129 9.082 12.141 214 HE3 LYS 25 1HE LYS 25 1.470 9.109 10.998 215 HZ1 LYS 25 3HZ LYS 25 1.919 11.395 11.633 216 HZ2 LYS 25 1HZ LYS 25 1.971 10.379 12.983 217 HZ3 LYS 25 2HZ LYS 25 0.630 11.373 12.727 218 H LEU 26 H LEU 26 -2.817 7.377 7.807 219 HA LEU 26 HA LEU 26 -3.062 8.562 5.147 220 HB2 LEU 26 2HB LEU 26 -5.196 7.589 7.066 221 HB3 LEU 26 1HB LEU 26 -5.483 8.157 5.435 222 HG LEU 26 HG LEU 26 -5.601 5.794 5.357 223 HD11 LEU 26 1HD1 LEU 26 -3.778 5.165 3.857 224 HD12 LEU 26 2HD1 LEU 26 -2.882 6.605 4.339 225 HD13 LEU 26 3HD1 LEU 26 -4.413 6.766 3.478 226 HD21 LEU 26 3HD2 LEU 26 -2.924 5.660 6.751 227 HD22 LEU 26 1HD2 LEU 26 -3.883 4.291 6.186 228 HD23 LEU 26 2HD2 LEU 26 -4.488 5.311 7.491 229 H ALA 27 H ALA 27 -3.341 10.701 4.861 230 HA ALA 27 HA ALA 27 -3.241 12.610 6.856 231 HB1 ALA 27 3HB ALA 27 -3.914 14.234 5.176 232 HB2 ALA 27 1HB ALA 27 -4.514 12.941 4.136 233 HB3 ALA 27 2HB ALA 27 -2.790 13.065 4.484 234 H ALA 28 H ALA 28 -6.106 11.131 5.406 235 HA ALA 28 HA ALA 28 -7.937 12.804 6.918 236 HB1 ALA 28 3HB ALA 28 -8.475 12.128 4.623 237 HB2 ALA 28 1HB ALA 28 -9.696 11.577 5.770 238 HB3 ALA 28 2HB ALA 28 -8.508 10.439 5.128 239 H PHE 29 H PHE 29 -6.319 9.817 7.415 240 HA PHE 29 HA PHE 29 -8.001 9.267 9.776 241 HB2 PHE 29 2HB PHE 29 -6.941 7.142 7.891 242 HB3 PHE 29 1HB PHE 29 -7.858 6.851 9.363 243 HD1 PHE 29 HD1 PHE 29 -10.266 7.614 9.468 244 HD2 PHE 29 HD2 PHE 29 -8.028 7.582 5.836 245 HE1 PHE 29 HE1 PHE 29 -12.359 7.709 8.177 246 HE2 PHE 29 HE2 PHE 29 -10.123 7.678 4.546 247 HZ PHE 29 HZ PHE 29 -12.289 7.744 5.718 248 HA PRO 30 HA PRO 30 -3.524 9.421 10.949 249 HB2 PRO 30 2HB PRO 30 -3.797 10.967 13.145 250 HB3 PRO 30 1HB PRO 30 -3.749 11.645 11.513 251 HG2 PRO 30 2HG PRO 30 -6.118 11.100 13.269 252 HG3 PRO 30 1HG PRO 30 -5.781 12.513 12.251 253 HD2 PRO 30 2HD PRO 30 -7.449 10.472 11.508 254 HD3 PRO 30 1HD PRO 30 -6.560 11.482 10.350 255 H ASN 31 H ASN 31 -6.351 8.744 12.978 256 HA ASN 31 HA ASN 31 -4.708 7.277 14.910 257 HB2 ASN 31 2HB ASN 31 -7.673 7.913 14.934 258 HB3 ASN 31 1HB ASN 31 -6.785 7.137 16.242 259 HD21 ASN 31 1HD2 ASN 31 -4.429 8.821 15.904 260 HD22 ASN 31 2HD2 ASN 31 -4.858 10.366 16.537 261 H GLN 32 H GLN 32 -6.925 6.653 12.296 262 HA GLN 32 HA GLN 32 -7.791 4.077 13.192 263 HB2 GLN 32 2HB GLN 32 -7.913 5.172 10.374 264 HB3 GLN 32 1HB GLN 32 -8.888 3.876 11.049 265 HG2 GLN 32 2HG GLN 32 -8.996 6.793 11.801 266 HG3 GLN 32 1HG GLN 32 -10.197 5.895 10.880 267 HE21 GLN 32 1HE2 GLN 32 -10.033 3.539 12.607 268 HE22 GLN 32 2HE2 GLN 32 -10.817 3.972 14.082 269 H ASN 33 H ASN 33 -6.891 2.121 12.910 270 HA ASN 33 HA ASN 33 -4.233 1.975 11.757 271 HB2 ASN 33 2HB ASN 33 -5.935 -0.072 13.194 272 HB3 ASN 33 1HB ASN 33 -4.315 -0.403 12.597 273 HD21 ASN 33 1HD2 ASN 33 -5.400 2.608 14.086 274 HD22 ASN 33 2HD2 ASN 33 -4.390 2.470 15.476 275 H TYR 34 H TYR 34 -3.617 0.923 9.918 276 HA TYR 34 HA TYR 34 -5.490 0.277 7.899 277 HB2 TYR 34 2HB TYR 34 -3.419 -0.775 6.773 278 HB3 TYR 34 1HB TYR 34 -3.395 0.953 7.108 279 HD1 TYR 34 HD1 TYR 34 -2.153 -2.332 8.330 280 HD2 TYR 34 HD2 TYR 34 -1.732 1.903 8.500 281 HE1 TYR 34 HE1 TYR 34 -0.047 -2.596 9.574 282 HE2 TYR 34 HE2 TYR 34 0.371 1.648 9.741 283 HH TYR 34 HH TYR 34 1.550 0.071 11.085 284 H ASP 35 H ASP 35 -4.839 -1.484 10.616 285 HA ASP 35 HA ASP 35 -5.320 -4.087 9.364 286 HB2 ASP 35 2HB ASP 35 -4.886 -3.363 12.275 287 HB3 ASP 35 1HB ASP 35 -4.997 -4.998 11.627 288 H GLN 36 H GLN 36 -7.138 -1.514 10.413 289 HA GLN 36 HA GLN 36 -9.552 -3.172 10.757 290 HB2 GLN 36 2HB GLN 36 -8.818 -0.816 12.524 291 HB3 GLN 36 1HB GLN 36 -10.320 -1.723 12.601 292 HG2 GLN 36 2HG GLN 36 -7.585 -2.859 13.173 293 HG3 GLN 36 1HG GLN 36 -8.723 -2.293 14.392 294 HE21 GLN 36 1HE2 GLN 36 -7.592 -4.930 14.076 295 HE22 GLN 36 2HE2 GLN 36 -8.924 -6.010 13.858 296 H LEU 37 H LEU 37 -8.367 -1.382 8.607 297 HA LEU 37 HA LEU 37 -10.521 0.638 8.421 298 HB2 LEU 37 2HB LEU 37 -8.086 1.404 8.905 299 HB3 LEU 37 1HB LEU 37 -7.772 1.000 7.233 300 HG LEU 37 HG LEU 37 -8.215 3.444 7.754 301 HD11 LEU 37 1HD1 LEU 37 -8.312 2.589 5.478 302 HD12 LEU 37 2HD1 LEU 37 -9.525 3.841 5.741 303 HD13 LEU 37 3HD1 LEU 37 -10.002 2.144 5.706 304 HD21 LEU 37 3HD2 LEU 37 -11.056 2.468 8.043 305 HD22 LEU 37 1HD2 LEU 37 -10.539 4.153 7.976 306 HD23 LEU 37 2HD2 LEU 37 -10.050 3.135 9.330 307 H LEU 38 H LEU 38 -11.425 1.020 6.370 308 HA LEU 38 HA LEU 38 -11.520 -1.281 4.669 309 HB2 LEU 38 2HB LEU 38 -12.796 1.445 4.400 310 HB3 LEU 38 1HB LEU 38 -13.086 0.122 3.290 311 HG LEU 38 HG LEU 38 -13.965 -1.205 5.255 312 HD11 LEU 38 1HD1 LEU 38 -14.709 0.049 7.224 313 HD12 LEU 38 2HD1 LEU 38 -13.881 1.486 6.620 314 HD13 LEU 38 3HD1 LEU 38 -12.953 0.054 7.068 315 HD21 LEU 38 3HD2 LEU 38 -15.449 -0.188 3.618 316 HD22 LEU 38 1HD2 LEU 38 -15.410 1.339 4.499 317 HD23 LEU 38 2HD2 LEU 38 -16.150 -0.085 5.231 318 HA PRO 39 HA PRO 39 -8.256 -0.345 1.759 319 HB2 PRO 39 2HB PRO 39 -10.111 -1.652 -0.187 320 HB3 PRO 39 1HB PRO 39 -8.411 -1.998 0.154 321 HG2 PRO 39 2HG PRO 39 -10.320 -3.615 1.058 322 HG3 PRO 39 1HG PRO 39 -8.911 -3.230 2.066 323 HD2 PRO 39 2HD PRO 39 -11.710 -2.176 2.234 324 HD3 PRO 39 1HD PRO 39 -10.580 -2.590 3.541 325 H SER 40 H SER 40 -11.627 0.194 0.750 326 HA SER 40 HA SER 40 -11.107 1.936 -1.395 327 HB2 SER 40 2HB SER 40 -13.304 0.866 -1.028 328 HB3 SER 40 1HB SER 40 -13.556 1.885 0.388 329 HG SER 40 HG SER 40 -13.799 2.483 -2.285 330 H GLN 41 H GLN 41 -11.742 2.658 2.037 331 HA GLN 41 HA GLN 41 -11.777 5.459 1.858 332 HB2 GLN 41 2HB GLN 41 -10.847 3.749 4.182 333 HB3 GLN 41 1HB GLN 41 -11.284 5.450 4.275 334 HG2 GLN 41 2HG GLN 41 -13.142 3.187 3.543 335 HG3 GLN 41 1HG GLN 41 -13.070 4.005 5.101 336 HE21 GLN 41 1HE2 GLN 41 -13.886 6.108 5.274 337 HE22 GLN 41 2HE2 GLN 41 -14.926 6.785 4.075 338 H ILE 42 H ILE 42 -9.082 3.199 2.184 339 HA ILE 42 HA ILE 42 -7.015 5.073 2.619 340 HB ILE 42 HB ILE 42 -6.824 2.403 1.195 341 HG12 ILE 42 2HG1 ILE 42 -6.444 3.089 4.125 342 HG13 ILE 42 1HG1 ILE 42 -7.822 2.225 3.454 343 HG21 ILE 42 1HG2 ILE 42 -4.465 2.447 1.859 344 HG22 ILE 42 2HG2 ILE 42 -4.688 4.049 2.564 345 HG23 ILE 42 3HG2 ILE 42 -4.862 3.819 0.823 346 HD11 ILE 42 3HD1 ILE 42 -6.268 0.706 4.512 347 HD12 ILE 42 1HD1 ILE 42 -4.968 1.271 3.463 348 HD13 ILE 42 2HD1 ILE 42 -6.342 0.404 2.776 349 H TYR 43 H TYR 43 -8.366 3.724 -0.399 350 HA TYR 43 HA TYR 43 -6.649 5.111 -2.170 351 HB2 TYR 43 2HB TYR 43 -7.948 3.227 -2.967 352 HB3 TYR 43 1HB TYR 43 -9.456 4.057 -2.597 353 HD1 TYR 43 HD1 TYR 43 -6.344 4.577 -4.625 354 HD2 TYR 43 HD2 TYR 43 -10.563 5.111 -4.355 355 HE1 TYR 43 HE1 TYR 43 -6.363 5.535 -6.889 356 HE2 TYR 43 HE2 TYR 43 -10.591 6.067 -6.621 357 HH TYR 43 HH TYR 43 -7.779 6.003 -8.683 358 H LYS 44 H LYS 44 -9.771 5.986 -0.742 359 HA LYS 44 HA LYS 44 -10.147 8.405 -2.145 360 HB2 LYS 44 2HB LYS 44 -11.082 7.640 0.632 361 HB3 LYS 44 1HB LYS 44 -11.715 8.976 -0.326 362 HG2 LYS 44 2HG LYS 44 -12.576 7.452 -1.982 363 HG3 LYS 44 1HG LYS 44 -11.821 6.081 -1.168 364 HD2 LYS 44 2HD LYS 44 -13.250 6.529 0.817 365 HD3 LYS 44 1HD LYS 44 -14.048 7.820 -0.087 366 HE2 LYS 44 2HE LYS 44 -14.807 6.196 -1.754 367 HE3 LYS 44 1HE LYS 44 -13.979 4.904 -0.885 368 HZ1 LYS 44 3HZ LYS 44 -16.331 4.933 -0.374 369 HZ2 LYS 44 1HZ LYS 44 -16.228 6.536 0.161 370 HZ3 LYS 44 2HZ LYS 44 -15.431 5.305 1.007 371 H ASN 45 H ASN 45 -8.213 7.612 0.660 372 HA ASN 45 HA ASN 45 -7.613 10.274 1.468 373 HB2 ASN 45 2HB ASN 45 -7.304 8.401 2.986 374 HB3 ASN 45 1HB ASN 45 -6.117 7.677 1.907 375 HD21 ASN 45 1HD2 ASN 45 -4.060 8.545 1.810 376 HD22 ASN 45 2HD2 ASN 45 -3.468 9.666 2.979 377 H TYR 46 H TYR 46 -6.441 8.296 -1.123 378 HA TYR 46 HA TYR 46 -3.878 9.294 -1.559 379 HB2 TYR 46 2HB TYR 46 -4.543 7.434 -2.846 380 HB3 TYR 46 1HB TYR 46 -5.992 8.241 -3.431 381 HD1 TYR 46 HD1 TYR 46 -2.282 8.852 -3.516 382 HD2 TYR 46 HD2 TYR 46 -5.962 8.815 -5.666 383 HE1 TYR 46 HE1 TYR 46 -1.091 9.514 -5.565 384 HE2 TYR 46 HE2 TYR 46 -4.777 9.476 -7.715 385 HH TYR 46 HH TYR 46 -2.692 10.584 -8.372 386 H TYR 47 H TYR 47 -6.975 10.786 -2.294 387 HA TYR 47 HA TYR 47 -5.990 12.797 -4.046 388 HB2 TYR 47 2HB TYR 47 -8.493 12.788 -2.345 389 HB3 TYR 47 1HB TYR 47 -8.164 13.900 -3.671 390 HD1 TYR 47 HD2 TYR 47 -8.010 12.997 -6.019 391 HD2 TYR 47 HD1 TYR 47 -9.352 10.604 -2.758 392 HE1 TYR 47 HE2 TYR 47 -9.008 11.404 -7.602 393 HE2 TYR 47 HE1 TYR 47 -10.349 9.007 -4.336 394 HH TYR 47 HH TYR 47 -9.673 9.018 -7.645 395 H GLN 48 H GLN 48 -5.581 12.407 -0.721 396 HA GLN 48 HA GLN 48 -4.970 15.272 -0.356 397 HB2 GLN 48 2HB GLN 48 -5.626 13.119 1.664 398 HB3 GLN 48 1HB GLN 48 -4.987 14.695 2.119 399 HG2 GLN 48 2HG GLN 48 -7.575 14.188 0.654 400 HG3 GLN 48 1HG GLN 48 -7.409 14.607 2.359 401 HE21 GLN 48 1HE2 GLN 48 -8.801 16.020 0.201 402 HE22 GLN 48 2HE2 GLN 48 -8.117 17.605 0.164 403 H GLY 49 H GLY 49 -3.723 12.125 0.879 404 HA2 GLY 49 2HA GLY 49 -1.243 12.034 -0.143 405 HA3 GLY 49 1HA GLY 49 -1.053 13.280 1.078 406 H ILE 50 H ILE 50 0.399 10.893 1.081 407 HA ILE 50 HA ILE 50 -0.573 9.644 3.577 408 HB ILE 50 HB ILE 50 0.752 8.230 1.249 409 HG12 ILE 50 2HG1 ILE 50 -2.017 7.922 2.453 410 HG13 ILE 50 1HG1 ILE 50 -1.646 8.684 0.909 411 HG21 ILE 50 1HG2 ILE 50 1.589 7.352 3.362 412 HG22 ILE 50 2HG2 ILE 50 0.539 6.175 2.576 413 HG23 ILE 50 3HG2 ILE 50 -0.060 7.119 3.942 414 HD11 ILE 50 3HD1 ILE 50 -0.819 6.553 0.060 415 HD12 ILE 50 1HD1 ILE 50 -2.495 6.442 0.593 416 HD13 ILE 50 2HD1 ILE 50 -1.205 5.788 1.602 417 H GLU 51 H GLU 51 0.930 9.417 5.178 418 HA GLU 51 HA GLU 51 3.603 10.518 4.693 419 HB2 GLU 51 2HB GLU 51 1.969 10.008 7.166 420 HB3 GLU 51 1HB GLU 51 3.705 10.245 7.292 421 HG2 GLU 51 2HG GLU 51 2.445 12.302 7.709 422 HG3 GLU 51 1HG GLU 51 3.524 12.448 6.324 423 H ILE 52 H ILE 52 5.112 9.114 4.083 424 HA ILE 52 HA ILE 52 5.007 6.310 4.888 425 HB ILE 52 HB ILE 52 6.998 7.734 3.100 426 HG12 ILE 52 2HG1 ILE 52 4.765 7.835 2.128 427 HG13 ILE 52 1HG1 ILE 52 5.747 6.682 1.229 428 HG21 ILE 52 1HG2 ILE 52 7.604 5.484 2.323 429 HG22 ILE 52 2HG2 ILE 52 6.500 4.781 3.506 430 HG23 ILE 52 3HG2 ILE 52 7.915 5.683 4.048 431 HD11 ILE 52 3HD1 ILE 52 4.657 4.842 2.424 432 HD12 ILE 52 1HD1 ILE 52 3.499 5.847 1.551 433 HD13 ILE 52 2HD1 ILE 52 3.666 6.010 3.298 434 H GLN 53 H GLN 53 5.876 5.783 6.837 435 HA GLN 53 HA GLN 53 8.048 7.320 7.994 436 HB2 GLN 53 2HB GLN 53 6.056 6.234 9.238 437 HB3 GLN 53 1HB GLN 53 6.929 4.723 9.061 438 HG2 GLN 53 2HG GLN 53 7.986 7.168 10.478 439 HG3 GLN 53 1HG GLN 53 7.215 5.797 11.270 440 HE21 GLN 53 1HE2 GLN 53 10.088 6.985 9.777 441 HE22 GLN 53 2HE2 GLN 53 11.089 5.629 10.148 442 H GLN 54 H GLN 54 9.987 7.010 7.001 443 HA GLN 54 HA GLN 54 10.878 4.603 5.824 444 HB2 GLN 54 2HB GLN 54 12.409 7.031 6.791 445 HB3 GLN 54 1HB GLN 54 13.160 5.703 5.920 446 HG2 GLN 54 2HG GLN 54 12.737 7.460 4.369 447 HG3 GLN 54 1HG GLN 54 11.618 6.146 4.019 448 HE21 GLN 54 1HE2 GLN 54 10.208 7.527 2.948 449 HE22 GLN 54 2HE2 GLN 54 9.210 8.653 3.800 450 H HIS 55 H HIS 55 10.910 2.790 7.082 451 HA HIS 55 HA HIS 55 12.369 2.910 9.654 452 HB2 HIS 55 2HB HIS 55 9.916 2.392 9.766 453 HB3 HIS 55 1HB HIS 55 10.231 0.918 8.858 454 HD1 HIS 55 HD1 HIS 55 9.594 -0.696 10.700 455 HD2 HIS 55 HD2 HIS 55 12.488 2.043 11.880 456 HE1 HIS 55 HE1 HIS 55 10.412 -1.502 12.937 457 HE2 HIS 55 HE2 HIS 55 12.059 0.247 13.685 458 H LYS 56 H LYS 56 11.691 0.691 6.919 459 HA LYS 56 HA LYS 56 13.909 -1.042 7.542 460 HB2 LYS 56 2HB LYS 56 11.662 -1.425 6.144 461 HB3 LYS 56 1HB LYS 56 12.691 -0.953 4.804 462 HG2 LYS 56 2HG LYS 56 14.237 -2.807 5.390 463 HG3 LYS 56 1HG LYS 56 13.125 -3.291 6.668 464 HD2 LYS 56 2HD LYS 56 11.351 -3.591 4.950 465 HD3 LYS 56 1HD LYS 56 12.535 -3.205 3.702 466 HE2 LYS 56 2HE LYS 56 12.332 -5.581 3.801 467 HE3 LYS 56 1HE LYS 56 13.891 -5.153 4.501 468 HZ1 LYS 56 3HZ LYS 56 12.883 -5.373 6.710 469 HZ2 LYS 56 1HZ LYS 56 12.811 -6.818 5.834 470 HZ3 LYS 56 2HZ LYS 56 11.426 -5.858 6.005 471 H TYR 57 H TYR 57 15.340 -1.456 5.257 472 HA TYR 57 HA TYR 57 17.209 0.577 5.110 473 HB2 TYR 57 2HB TYR 57 16.565 -1.679 3.227 474 HB3 TYR 57 1HB TYR 57 17.844 -0.527 2.856 475 HD1 TYR 57 HD2 TYR 57 16.714 -2.812 5.589 476 HD2 TYR 57 HD1 TYR 57 19.993 -0.939 3.631 477 HE1 TYR 57 HE2 TYR 57 18.276 -4.098 6.990 478 HE2 TYR 57 HE1 TYR 57 21.565 -2.213 5.025 479 HH TYR 57 HH TYR 57 21.593 -3.353 7.194 480 H GLN 58 H GLN 58 16.173 2.567 4.875 481 HA GLN 58 HA GLN 58 15.244 3.171 2.141 482 HB2 GLN 58 2HB GLN 58 14.560 4.515 4.764 483 HB3 GLN 58 1HB GLN 58 14.152 5.194 3.191 484 HG2 GLN 58 2HG GLN 58 13.237 2.504 4.203 485 HG3 GLN 58 1HG GLN 58 12.277 3.983 4.233 486 HE21 GLN 58 1HE2 GLN 58 13.681 1.524 2.191 487 HE22 GLN 58 2HE2 GLN 58 12.760 1.904 0.784 488 H ASN 59 H ASN 59 17.279 3.465 1.328 489 HA ASN 59 HA ASN 59 18.454 6.057 1.673 490 HB2 ASN 59 2HB ASN 59 19.474 4.817 3.586 491 HB3 ASN 59 1HB ASN 59 20.128 3.644 2.451 492 HD21 ASN 59 1HD2 ASN 59 21.457 5.465 4.339 493 HD22 ASN 59 2HD2 ASN 59 22.569 6.384 3.388 494 H GLU 60 H GLU 60 19.242 2.758 0.538 495 HA GLU 60 HA GLU 60 20.415 3.731 -1.913 496 HB2 GLU 60 2HB GLU 60 21.156 1.631 -0.740 497 HB3 GLU 60 1HB GLU 60 19.637 0.887 -1.219 498 HG2 GLU 60 2HG GLU 60 21.481 0.256 -2.703 499 HG3 GLU 60 1HG GLU 60 20.212 1.132 -3.561 500 H LEU 61 H LEU 61 17.435 1.972 -1.060 501 HA LEU 61 HA LEU 61 16.237 2.997 -3.551 502 HB2 LEU 61 2HB LEU 61 14.625 1.128 -3.420 503 HB3 LEU 61 1HB LEU 61 16.279 0.591 -3.608 504 HG LEU 61 HG LEU 61 16.160 0.331 -0.971 505 HD11 LEU 61 1HD1 LEU 61 13.955 -0.405 -0.209 506 HD12 LEU 61 2HD1 LEU 61 13.259 0.059 -1.762 507 HD13 LEU 61 3HD1 LEU 61 13.941 1.290 -0.696 508 HD21 LEU 61 3HD2 LEU 61 15.493 -2.010 -1.275 509 HD22 LEU 61 1HD2 LEU 61 16.614 -1.483 -2.530 510 HD23 LEU 61 2HD2 LEU 61 14.894 -1.630 -2.891 511 H ASP 62 H ASP 62 14.250 4.044 -3.423 512 HA ASP 62 HA ASP 62 13.469 4.863 -0.689 513 HB2 ASP 62 2HB ASP 62 14.673 6.542 -2.218 514 HB3 ASP 62 1HB ASP 62 13.188 6.571 -3.164 515 H ILE 63 H ILE 63 11.354 4.658 -0.125 516 HA ILE 63 HA ILE 63 9.561 3.418 -2.090 517 HB ILE 63 HB ILE 63 9.401 3.573 0.924 518 HG12 ILE 63 2HG1 ILE 63 9.921 1.245 -0.947 519 HG13 ILE 63 1HG1 ILE 63 11.135 2.053 0.039 520 HG21 ILE 63 1HG2 ILE 63 7.527 2.203 -1.012 521 HG22 ILE 63 2HG2 ILE 63 7.150 3.593 0.004 522 HG23 ILE 63 3HG2 ILE 63 7.487 2.029 0.743 523 HD11 ILE 63 3HD1 ILE 63 10.477 -0.025 1.056 524 HD12 ILE 63 1HD1 ILE 63 8.783 0.464 1.039 525 HD13 ILE 63 2HD1 ILE 63 9.939 1.323 2.058 526 H LYS 64 H LYS 64 8.110 4.642 -3.101 527 HA LYS 64 HA LYS 64 6.571 6.608 -1.515 528 HB2 LYS 64 2HB LYS 64 7.391 6.879 -4.421 529 HB3 LYS 64 1HB LYS 64 6.327 7.985 -3.564 530 HG2 LYS 64 2HG LYS 64 9.223 7.467 -2.894 531 HG3 LYS 64 1HG LYS 64 8.607 8.858 -3.788 532 HD2 LYS 64 2HD LYS 64 7.256 9.488 -1.810 533 HD3 LYS 64 1HD LYS 64 7.957 8.132 -0.926 534 HE2 LYS 64 2HE LYS 64 10.186 9.101 -1.194 535 HE3 LYS 64 1HE LYS 64 9.498 10.455 -2.089 536 HZ1 LYS 64 3HZ LYS 64 8.207 11.014 -0.096 537 HZ2 LYS 64 1HZ LYS 64 9.874 11.081 0.180 538 HZ3 LYS 64 2HZ LYS 64 8.973 9.769 0.752 539 H ILE 65 H ILE 65 4.391 6.258 -1.543 540 HA ILE 65 HA ILE 65 3.331 4.120 -3.216 541 HB ILE 65 HB ILE 65 1.981 5.803 -1.088 542 HG12 ILE 65 2HG1 ILE 65 2.984 2.939 -1.056 543 HG13 ILE 65 1HG1 ILE 65 3.693 4.297 -0.188 544 HG21 ILE 65 1HG2 ILE 65 0.341 5.055 -2.727 545 HG22 ILE 65 2HG2 ILE 65 0.137 4.166 -1.218 546 HG23 ILE 65 3HG2 ILE 65 0.931 3.397 -2.592 547 HD11 ILE 65 3HD1 ILE 65 2.399 2.913 1.308 548 HD12 ILE 65 1HD1 ILE 65 0.970 3.101 0.292 549 HD13 ILE 65 2HD1 ILE 65 1.638 4.496 1.141 550 H ILE 66 H ILE 66 2.280 4.420 -5.086 551 HA ILE 66 HA ILE 66 1.620 7.128 -5.951 552 HB ILE 66 HB ILE 66 1.457 4.545 -7.524 553 HG12 ILE 66 2HG1 ILE 66 3.623 6.672 -7.523 554 HG13 ILE 66 1HG1 ILE 66 3.767 5.071 -6.801 555 HG21 ILE 66 1HG2 ILE 66 0.006 6.283 -8.428 556 HG22 ILE 66 2HG2 ILE 66 1.383 6.021 -9.497 557 HG23 ILE 66 3HG2 ILE 66 1.348 7.428 -8.435 558 HD11 ILE 66 3HD1 ILE 66 3.490 4.062 -9.016 559 HD12 ILE 66 1HD1 ILE 66 4.877 5.149 -8.946 560 HD13 ILE 66 2HD1 ILE 66 3.385 5.674 -9.726 561 H ASN 67 H ASN 67 -0.188 4.183 -6.806 562 HA ASN 67 HA ASN 67 -2.624 5.398 -5.682 563 HB2 ASN 67 2HB ASN 67 -3.852 4.808 -7.758 564 HB3 ASN 67 1HB ASN 67 -2.595 6.010 -8.027 565 HD21 ASN 67 1HD2 ASN 67 -3.815 4.258 -9.961 566 HD22 ASN 67 2HD2 ASN 67 -2.540 3.306 -10.632 567 H PHE 68 H PHE 68 -4.541 3.766 -5.983 568 HA PHE 68 HA PHE 68 -3.593 1.117 -5.075 569 HB2 PHE 68 2HB PHE 68 -6.058 2.597 -4.114 570 HB3 PHE 68 1HB PHE 68 -5.464 1.053 -3.513 571 HD1 PHE 68 HD1 PHE 68 -4.828 4.683 -3.624 572 HD2 PHE 68 HD2 PHE 68 -3.685 0.946 -1.927 573 HE1 PHE 68 HE1 PHE 68 -3.475 5.863 -1.945 574 HE2 PHE 68 HE2 PHE 68 -2.329 2.127 -0.249 575 HZ PHE 68 HZ PHE 68 -2.222 4.584 -0.257 576 H LEU 69 H LEU 69 -4.765 -0.703 -5.691 577 HA LEU 69 HA LEU 69 -7.155 -0.340 -7.341 578 HB2 LEU 69 2HB LEU 69 -6.366 -1.877 -9.071 579 HB3 LEU 69 1HB LEU 69 -5.374 -0.436 -8.984 580 HG LEU 69 HG LEU 69 -4.548 -3.045 -7.699 581 HD11 LEU 69 1HD1 LEU 69 -3.870 -2.029 -10.462 582 HD12 LEU 69 2HD1 LEU 69 -4.854 -3.444 -10.084 583 HD13 LEU 69 3HD1 LEU 69 -3.140 -3.427 -9.670 584 HD21 LEU 69 3HD2 LEU 69 -2.311 -2.062 -7.792 585 HD22 LEU 69 1HD2 LEU 69 -3.412 -1.031 -6.878 586 HD23 LEU 69 2HD2 LEU 69 -2.969 -0.602 -8.530 587 H TYR 70 H TYR 70 -8.408 -2.293 -7.619 588 HA TYR 70 HA TYR 70 -8.190 -4.079 -5.293 589 HB2 TYR 70 2HB TYR 70 -10.495 -3.699 -7.233 590 HB3 TYR 70 1HB TYR 70 -10.545 -4.587 -5.714 591 HD1 TYR 70 HD1 TYR 70 -9.565 -3.008 -3.661 592 HD2 TYR 70 HD2 TYR 70 -11.577 -1.661 -7.166 593 HE1 TYR 70 HE1 TYR 70 -10.240 -0.959 -2.482 594 HE2 TYR 70 HE2 TYR 70 -12.254 0.391 -5.994 595 HH TYR 70 HH TYR 70 -10.886 1.390 -3.106 596 HA PRO 71 HA PRO 71 -7.425 -7.927 -7.589 597 HB2 PRO 71 2HB PRO 71 -10.274 -8.703 -7.074 598 HB3 PRO 71 1HB PRO 71 -8.797 -9.653 -6.865 599 HG2 PRO 71 2HG PRO 71 -10.003 -8.592 -4.754 600 HG3 PRO 71 1HG PRO 71 -8.232 -8.576 -4.872 601 HD2 PRO 71 2HD PRO 71 -10.184 -6.347 -5.276 602 HD3 PRO 71 1HD PRO 71 -8.550 -6.306 -4.581 603 H ASP 72 H ASP 72 -7.380 -6.495 -9.489 604 HA ASP 72 HA ASP 72 -7.899 -5.827 -11.572 605 HB2 ASP 72 2HB ASP 72 -7.566 -8.267 -11.915 606 HB3 ASP 72 1HB ASP 72 -9.305 -8.500 -11.750 607 H GLY 73 H GLY 73 -9.288 -4.135 -10.683 608 HA2 GLY 73 2HA GLY 73 -11.030 -2.773 -11.355 609 HA3 GLY 73 1HA GLY 73 -11.708 -4.120 -12.241 610 H ASP 74 H ASP 74 -12.193 -5.962 -10.173 611 HA ASP 74 HA ASP 74 -14.674 -4.760 -9.337 612 HB2 ASP 74 2HB ASP 74 -14.708 -6.998 -10.271 613 HB3 ASP 74 1HB ASP 74 -13.636 -7.578 -8.998 614 H PHE 75 H PHE 75 -15.159 -3.930 -7.447 615 HA PHE 75 HA PHE 75 -13.320 -3.985 -5.231 616 HB2 PHE 75 2HB PHE 75 -14.978 -2.516 -4.117 617 HB3 PHE 75 1HB PHE 75 -14.526 -1.928 -5.712 618 HD1 PHE 75 HD1 PHE 75 -16.120 -2.109 -7.601 619 HD2 PHE 75 HD2 PHE 75 -17.228 -3.177 -3.625 620 HE1 PHE 75 HE1 PHE 75 -18.495 -2.004 -8.236 621 HE2 PHE 75 HE2 PHE 75 -19.600 -3.074 -4.259 622 HZ PHE 75 HZ PHE 75 -20.237 -2.488 -6.566 623 H GLY 76 H GLY 76 -16.261 -5.683 -6.108 624 HA2 GLY 76 2HA GLY 76 -17.043 -6.635 -3.570 625 HA3 GLY 76 1HA GLY 76 -17.366 -7.439 -5.098 626 H SER 77 H SER 77 -14.878 -8.057 -5.982 627 HA SER 77 HA SER 77 -14.088 -10.342 -4.571 628 HB2 SER 77 2HB SER 77 -12.591 -8.689 -6.623 629 HB3 SER 77 1HB SER 77 -12.043 -10.261 -6.050 630 HG SER 77 HG SER 77 -14.236 -9.605 -7.674 631 H ALA 78 H ALA 78 -13.158 -7.014 -4.131 632 HA ALA 78 HA ALA 78 -10.808 -7.597 -2.553 633 HB1 ALA 78 3HB ALA 78 -12.336 -5.004 -2.838 634 HB2 ALA 78 1HB ALA 78 -10.985 -5.516 -3.851 635 HB3 ALA 78 2HB ALA 78 -10.730 -5.199 -2.136 636 H ASN 79 H ASN 79 -14.068 -6.303 -1.818 637 HA ASN 79 HA ASN 79 -13.703 -6.078 0.958 638 HB2 ASN 79 2HB ASN 79 -16.272 -6.441 -0.606 639 HB3 ASN 79 1HB ASN 79 -16.189 -5.970 1.090 640 HD21 ASN 79 1HD2 ASN 79 -17.378 -4.460 -1.010 641 HD22 ASN 79 2HD2 ASN 79 -16.493 -2.983 -1.141 642 H LYS 80 H LYS 80 -14.806 -8.834 -0.969 643 HA LYS 80 HA LYS 80 -15.940 -10.357 1.099 644 HB2 LYS 80 2HB LYS 80 -15.811 -12.248 -0.377 645 HB3 LYS 80 1HB LYS 80 -16.199 -10.828 -1.337 646 HG2 LYS 80 2HG LYS 80 -13.786 -10.679 -1.962 647 HG3 LYS 80 1HG LYS 80 -13.530 -12.212 -1.129 648 HD2 LYS 80 2HD LYS 80 -15.377 -11.751 -3.480 649 HD3 LYS 80 1HD LYS 80 -13.803 -12.546 -3.541 650 HE2 LYS 80 2HE LYS 80 -16.183 -13.526 -1.955 651 HE3 LYS 80 1HE LYS 80 -15.697 -14.140 -3.531 652 HZ1 LYS 80 3HZ LYS 80 -13.560 -14.794 -2.526 653 HZ2 LYS 80 1HZ LYS 80 -14.881 -15.580 -1.824 654 HZ3 LYS 80 2HZ LYS 80 -14.130 -14.302 -1.014 655 H ASN 81 H ASN 81 -12.589 -9.813 0.318 656 HA ASN 81 HA ASN 81 -11.825 -11.645 2.509 657 HB2 ASN 81 2HB ASN 81 -11.325 -12.588 0.214 658 HB3 ASN 81 1HB ASN 81 -10.196 -11.257 -0.014 659 HD21 ASN 81 1HD2 ASN 81 -8.430 -12.639 -0.181 660 HD22 ASN 81 2HD2 ASN 81 -7.795 -13.492 1.179 661 H GLY 82 H GLY 82 -12.052 -8.539 1.768 662 HA2 GLY 82 2HA GLY 82 -11.022 -6.592 2.432 663 HA3 GLY 82 1HA GLY 82 -10.357 -7.555 3.738 664 H THR 83 H THR 83 -9.791 -7.355 0.211 665 HA THR 83 HA THR 83 -6.886 -7.306 0.772 666 HB THR 83 HB THR 83 -6.534 -8.232 -1.475 667 HG1 THR 83 HG1 THR 83 -9.200 -8.910 -1.849 668 HG21 THR 83 3HG2 THR 83 -8.510 -9.826 0.171 669 HG22 THR 83 1HG2 THR 83 -6.756 -9.803 0.372 670 HG23 THR 83 2HG2 THR 83 -7.466 -10.484 -1.090 671 H LEU 84 H LEU 84 -5.522 -5.984 -0.472 672 HA LEU 84 HA LEU 84 -6.659 -4.092 -2.366 673 HB2 LEU 84 2HB LEU 84 -6.941 -2.986 -0.160 674 HB3 LEU 84 1HB LEU 84 -5.216 -3.130 0.118 675 HG LEU 84 HG LEU 84 -4.791 -1.646 -1.823 676 HD11 LEU 84 1HD1 LEU 84 -7.799 -1.351 -1.886 677 HD12 LEU 84 2HD1 LEU 84 -6.800 -2.121 -3.120 678 HD13 LEU 84 3HD1 LEU 84 -6.648 -0.391 -2.818 679 HD21 LEU 84 3HD2 LEU 84 -4.890 -0.694 0.415 680 HD22 LEU 84 1HD2 LEU 84 -6.638 -0.498 0.277 681 HD23 LEU 84 2HD2 LEU 84 -5.559 0.435 -0.761 682 H LYS 85 H LYS 85 -5.159 -3.384 -3.869 683 HA LYS 85 HA LYS 85 -2.461 -4.534 -3.616 684 HB2 LYS 85 2HB LYS 85 -3.952 -3.657 -6.101 685 HB3 LYS 85 1HB LYS 85 -2.345 -4.375 -6.072 686 HG2 LYS 85 2HG LYS 85 -3.337 -6.405 -5.021 687 HG3 LYS 85 1HG LYS 85 -4.933 -5.686 -5.244 688 HD2 LYS 85 2HD LYS 85 -4.385 -7.292 -7.021 689 HD3 LYS 85 1HD LYS 85 -4.607 -5.661 -7.657 690 HE2 LYS 85 2HE LYS 85 -2.336 -5.380 -8.079 691 HE3 LYS 85 1HE LYS 85 -1.865 -6.629 -6.927 692 HZ1 LYS 85 3HZ LYS 85 -3.235 -7.126 -9.509 693 HZ2 LYS 85 1HZ LYS 85 -2.700 -8.304 -8.416 694 HZ3 LYS 85 2HZ LYS 85 -1.583 -7.329 -9.229 695 H LEU 86 H LEU 86 -0.860 -3.214 -3.170 696 HA LEU 86 HA LEU 86 -1.219 -0.324 -3.395 697 HB2 LEU 86 2HB LEU 86 1.060 -1.856 -2.124 698 HB3 LEU 86 1HB LEU 86 0.741 -0.143 -1.968 699 HG LEU 86 HG LEU 86 0.079 -1.090 0.077 700 HD11 LEU 86 1HD1 LEU 86 -2.310 -0.709 0.212 701 HD12 LEU 86 2HD1 LEU 86 -2.444 -0.818 -1.543 702 HD13 LEU 86 3HD1 LEU 86 -1.538 0.504 -0.809 703 HD21 LEU 86 3HD2 LEU 86 0.067 -3.435 -0.588 704 HD22 LEU 86 1HD2 LEU 86 -1.458 -3.197 -1.438 705 HD23 LEU 86 2HD2 LEU 86 -1.389 -3.020 0.315 706 H SER 87 H SER 87 -0.276 0.868 -4.989 707 HA SER 87 HA SER 87 1.815 -0.367 -6.656 708 HB2 SER 87 2HB SER 87 0.226 2.184 -7.087 709 HB3 SER 87 1HB SER 87 1.412 1.526 -8.213 710 HG SER 87 HG SER 87 -1.186 0.765 -7.734 711 H LEU 88 H LEU 88 3.776 -0.117 -5.696 712 HA LEU 88 HA LEU 88 4.504 2.521 -4.605 713 HB2 LEU 88 2HB LEU 88 5.659 -0.233 -4.197 714 HB3 LEU 88 1HB LEU 88 6.533 1.212 -3.728 715 HG LEU 88 HG LEU 88 4.681 1.813 -2.191 716 HD11 LEU 88 1HD1 LEU 88 2.980 0.148 -1.636 717 HD12 LEU 88 2HD1 LEU 88 3.561 -0.888 -2.940 718 HD13 LEU 88 3HD1 LEU 88 2.842 0.680 -3.310 719 HD21 LEU 88 3HD2 LEU 88 5.169 0.108 -0.508 720 HD22 LEU 88 1HD2 LEU 88 6.628 0.597 -1.368 721 HD23 LEU 88 2HD2 LEU 88 5.850 -0.938 -1.755 722 H MET 89 H MET 89 6.441 3.551 -5.180 723 HA MET 89 HA MET 89 7.808 2.524 -7.589 724 HB2 MET 89 2HB MET 89 8.284 4.928 -8.156 725 HB3 MET 89 1HB MET 89 6.587 4.476 -8.257 726 HG2 MET 89 2HG MET 89 6.180 5.503 -6.080 727 HG3 MET 89 1HG MET 89 7.879 5.955 -5.971 728 HE1 MET 89 3HE MET 89 9.048 7.741 -7.540 729 HE2 MET 89 1HE MET 89 8.230 8.560 -8.869 730 HE3 MET 89 2HE MET 89 8.543 6.826 -8.959 731 H LEU 90 H LEU 90 9.796 1.888 -7.141 732 HA LEU 90 HA LEU 90 11.185 2.894 -4.770 733 HB2 LEU 90 2HB LEU 90 11.731 0.532 -6.579 734 HB3 LEU 90 1HB LEU 90 12.786 1.006 -5.262 735 HG LEU 90 HG LEU 90 11.443 -0.823 -4.517 736 HD11 LEU 90 1HD1 LEU 90 10.336 0.138 -2.578 737 HD12 LEU 90 2HD1 LEU 90 10.381 1.734 -3.327 738 HD13 LEU 90 3HD1 LEU 90 11.885 0.925 -2.881 739 HD21 LEU 90 3HD2 LEU 90 9.006 -0.780 -4.471 740 HD22 LEU 90 1HD2 LEU 90 9.606 -0.639 -6.122 741 HD23 LEU 90 2HD2 LEU 90 9.004 0.788 -5.278 742 H THR 91 H THR 91 12.441 4.619 -5.070 743 HA THR 91 HA THR 91 13.677 5.179 -7.636 744 HB THR 91 HB THR 91 13.935 6.688 -5.020 745 HG1 THR 91 HG1 THR 91 12.006 7.389 -5.512 746 HG21 THR 91 3HG2 THR 91 14.704 8.561 -6.432 747 HG22 THR 91 1HG2 THR 91 14.664 7.502 -7.843 748 HG23 THR 91 2HG2 THR 91 15.794 7.178 -6.528 749 H ASP 92 H ASP 92 15.430 3.950 -8.141 750 HA ASP 92 HA ASP 92 17.399 3.045 -6.287 751 HB2 ASP 92 2HB ASP 92 17.665 3.445 -9.285 752 HB3 ASP 92 1HB ASP 92 18.727 2.475 -8.273 753 H LYS 93 H LYS 93 18.837 4.349 -5.227 754 HA LYS 93 HA LYS 93 19.440 7.000 -6.139 755 HB2 LYS 93 2HB LYS 93 20.762 5.335 -3.983 756 HB3 LYS 93 1HB LYS 93 21.059 7.047 -4.258 757 HG2 LYS 93 2HG LYS 93 18.425 5.808 -3.465 758 HG3 LYS 93 1HG LYS 93 19.518 6.707 -2.410 759 HD2 LYS 93 2HD LYS 93 19.195 8.715 -3.792 760 HD3 LYS 93 1HD LYS 93 18.096 7.816 -4.842 761 HE2 LYS 93 2HE LYS 93 16.866 9.190 -3.231 762 HE3 LYS 93 1HE LYS 93 16.568 7.474 -2.962 763 HZ1 LYS 93 3HZ LYS 93 18.450 9.175 -1.415 764 HZ2 LYS 93 1HZ LYS 93 18.185 7.521 -1.161 765 HZ3 LYS 93 2HZ LYS 93 16.940 8.633 -0.883 766 H LYS 94 H LYS 94 21.318 3.966 -6.040 767 HA LYS 94 HA LYS 94 23.664 4.972 -7.206 768 HB2 LYS 94 2HB LYS 94 24.197 2.612 -7.714 769 HB3 LYS 94 1HB LYS 94 23.619 2.833 -6.069 770 HG2 LYS 94 2HG LYS 94 21.340 2.114 -6.902 771 HG3 LYS 94 1HG LYS 94 22.137 1.645 -8.405 772 HD2 LYS 94 2HD LYS 94 22.785 0.580 -5.648 773 HD3 LYS 94 1HD LYS 94 21.855 -0.265 -6.884 774 HE2 LYS 94 2HE LYS 94 24.750 0.577 -7.122 775 HE3 LYS 94 1HE LYS 94 24.176 -1.056 -6.782 776 HZ1 LYS 94 3HZ LYS 94 22.971 -0.920 -8.961 777 HZ2 LYS 94 1HZ LYS 94 24.658 -0.953 -9.074 778 HZ3 LYS 94 2HZ LYS 94 23.829 0.504 -9.280 779 H ASN 95 H ASN 95 20.710 3.764 -8.732 780 HA ASN 95 HA ASN 95 21.928 4.032 -11.397 781 HB2 ASN 95 2HB ASN 95 19.223 2.884 -10.659 782 HB3 ASN 95 1HB ASN 95 20.011 2.788 -12.231 783 HD21 ASN 95 1HD2 ASN 95 19.095 0.642 -10.511 784 HD22 ASN 95 2HD2 ASN 95 20.481 -0.327 -10.169 785 H ASN 96 H ASN 96 19.881 5.770 -9.290 786 HA ASN 96 HA ASN 96 18.612 7.646 -9.471 787 HB2 ASN 96 2HB ASN 96 19.875 7.892 -12.212 788 HB3 ASN 96 1HB ASN 96 18.982 9.163 -11.386 789 HD21 ASN 96 1HD2 ASN 96 20.075 8.506 -8.780 790 HD22 ASN 96 2HD2 ASN 96 21.708 9.061 -8.786 791 H GLN 97 H GLN 97 17.830 4.935 -10.784 792 HA GLN 97 HA GLN 97 15.709 5.846 -12.601 793 HB2 GLN 97 2HB GLN 97 16.751 3.041 -12.115 794 HB3 GLN 97 1HB GLN 97 15.592 3.520 -13.351 795 HG2 GLN 97 2HG GLN 97 18.467 4.421 -13.184 796 HG3 GLN 97 1HG GLN 97 17.827 3.199 -14.280 797 HE21 GLN 97 1HE2 GLN 97 19.154 5.796 -14.780 798 HE22 GLN 97 2HE2 GLN 97 18.077 6.657 -15.819 799 H VAL 98 H VAL 98 13.855 3.873 -12.425 800 HA VAL 98 HA VAL 98 13.031 3.721 -9.610 801 HB VAL 98 HB VAL 98 12.014 5.771 -10.474 802 HG11 VAL 98 1HG1 VAL 98 10.699 4.009 -12.546 803 HG12 VAL 98 2HG1 VAL 98 11.956 5.208 -12.846 804 HG13 VAL 98 3HG1 VAL 98 10.366 5.723 -12.285 805 HG21 VAL 98 3HG2 VAL 98 10.786 4.451 -8.811 806 HG22 VAL 98 1HG2 VAL 98 9.973 3.570 -10.105 807 HG23 VAL 98 2HG2 VAL 98 9.687 5.299 -9.899 808 H TYR 99 H TYR 99 11.896 1.923 -9.066 809 HA TYR 99 HA TYR 99 10.976 0.125 -11.225 810 HB2 TYR 99 2HB TYR 99 12.910 -0.864 -10.168 811 HB3 TYR 99 1HB TYR 99 12.241 -0.577 -8.566 812 HD1 TYR 99 HD2 TYR 99 11.678 -2.512 -11.703 813 HD2 TYR 99 HD1 TYR 99 10.896 -2.223 -7.523 814 HE1 TYR 99 HE2 TYR 99 10.647 -4.743 -11.743 815 HE2 TYR 99 HE1 TYR 99 9.863 -4.453 -7.557 816 HH TYR 99 HH TYR 99 10.131 -6.569 -10.228 817 H TYR 100 H TYR 100 8.852 -0.344 -11.197 818 HA TYR 100 HA TYR 100 7.216 0.601 -8.983 819 HB2 TYR 100 2HB TYR 100 6.448 -0.588 -11.661 820 HB3 TYR 100 1HB TYR 100 5.303 0.034 -10.475 821 HD1 TYR 100 HD2 TYR 100 5.854 2.512 -9.655 822 HD2 TYR 100 HD1 TYR 100 7.090 0.850 -13.375 823 HE1 TYR 100 HE2 TYR 100 6.089 4.776 -10.583 824 HE2 TYR 100 HE1 TYR 100 7.330 3.113 -14.311 825 HH TYR 100 HH TYR 100 7.362 5.898 -12.398 826 H LYS 101 H LYS 101 6.515 -0.631 -7.379 827 HA LYS 101 HA LYS 101 6.570 -3.566 -7.684 828 HB2 LYS 101 2HB LYS 101 8.222 -2.756 -6.079 829 HB3 LYS 101 1HB LYS 101 6.975 -1.882 -5.201 830 HG2 LYS 101 2HG LYS 101 7.620 -3.966 -4.078 831 HG3 LYS 101 1HG LYS 101 5.918 -3.967 -4.552 832 HD2 LYS 101 2HD LYS 101 6.528 -5.281 -6.572 833 HD3 LYS 101 1HD LYS 101 8.194 -5.346 -5.991 834 HE2 LYS 101 2HE LYS 101 7.513 -6.592 -4.038 835 HE3 LYS 101 1HE LYS 101 5.811 -6.411 -4.472 836 HZ1 LYS 101 3HZ LYS 101 6.234 -7.702 -6.474 837 HZ2 LYS 101 1HZ LYS 101 6.633 -8.584 -5.087 838 HZ3 LYS 101 2HZ LYS 101 7.853 -7.896 -6.036 839 H LEU 102 H LEU 102 4.677 -4.600 -7.576 840 HA LEU 102 HA LEU 102 2.327 -3.220 -6.476 841 HB2 LEU 102 2HB LEU 102 2.638 -5.566 -8.339 842 HB3 LEU 102 1HB LEU 102 1.118 -5.253 -7.529 843 HG LEU 102 HG LEU 102 1.051 -4.360 -9.779 844 HD11 LEU 102 1HD1 LEU 102 0.399 -2.068 -9.297 845 HD12 LEU 102 2HD1 LEU 102 1.252 -2.130 -7.755 846 HD13 LEU 102 3HD1 LEU 102 -0.159 -3.155 -8.024 847 HD21 LEU 102 3HD2 LEU 102 3.443 -2.684 -8.996 848 HD22 LEU 102 1HD2 LEU 102 2.533 -2.544 -10.501 849 HD23 LEU 102 2HD2 LEU 102 3.438 -4.015 -10.153 850 H LEU 103 H LEU 103 1.813 -3.631 -4.427 851 HA LEU 103 HA LEU 103 2.566 -6.208 -3.214 852 HB2 LEU 103 2HB LEU 103 1.599 -3.656 -1.909 853 HB3 LEU 103 1HB LEU 103 2.112 -5.103 -1.062 854 HG LEU 103 HG LEU 103 3.877 -3.340 -2.772 855 HD11 LEU 103 1HD1 LEU 103 3.281 -2.271 -0.675 856 HD12 LEU 103 2HD1 LEU 103 4.971 -2.773 -0.649 857 HD13 LEU 103 3HD1 LEU 103 3.758 -3.714 0.222 858 HD21 LEU 103 3HD2 LEU 103 5.723 -4.728 -1.937 859 HD22 LEU 103 1HD2 LEU 103 4.582 -5.664 -2.902 860 HD23 LEU 103 2HD2 LEU 103 4.561 -5.792 -1.143 861 H GLU 104 H GLU 104 1.035 -7.745 -3.238 862 HA GLU 104 HA GLU 104 -1.806 -6.993 -3.138 863 HB2 GLU 104 2HB GLU 104 -0.578 -9.711 -3.681 864 HB3 GLU 104 1HB GLU 104 -2.269 -9.267 -3.876 865 HG2 GLU 104 2HG GLU 104 -1.541 -7.600 -5.601 866 HG3 GLU 104 1HG GLU 104 0.077 -8.286 -5.489 867 H VAL 105 H VAL 105 -2.489 -6.733 -1.053 868 HA VAL 105 HA VAL 105 -1.653 -8.760 0.939 869 HB VAL 105 HB VAL 105 -1.494 -7.059 2.656 870 HG11 VAL 105 1HG1 VAL 105 0.058 -6.221 0.200 871 HG12 VAL 105 2HG1 VAL 105 0.518 -7.494 1.330 872 HG13 VAL 105 3HG1 VAL 105 0.460 -5.816 1.870 873 HG21 VAL 105 3HG2 VAL 105 -2.257 -5.085 0.495 874 HG22 VAL 105 1HG2 VAL 105 -1.723 -4.659 2.122 875 HG23 VAL 105 2HG2 VAL 105 -3.231 -5.543 1.893 876 H SER 106 H SER 106 -3.039 -8.855 2.882 877 HA SER 106 HA SER 106 -5.845 -8.069 2.428 878 HB2 SER 106 2HB SER 106 -5.704 -10.394 1.725 879 HB3 SER 106 1HB SER 106 -4.893 -10.838 3.223 880 HG SER 106 HG SER 106 -7.575 -10.429 2.719 881 H GLY 107 H GLY 107 -7.172 -8.643 4.525 882 HA2 GLY 107 2HA GLY 107 -6.922 -9.017 6.958 883 HA3 GLY 107 1HA GLY 107 -5.524 -7.960 6.897 884 H PHE 108 H PHE 108 -6.977 -6.075 5.065 885 HA PHE 108 HA PHE 108 -7.809 -4.182 6.890 886 HB2 PHE 108 2HB PHE 108 -8.842 -4.485 4.060 887 HB3 PHE 108 1HB PHE 108 -8.862 -3.010 5.017 888 HD1 PHE 108 HD2 PHE 108 -6.674 -1.922 5.633 889 HD2 PHE 108 HD1 PHE 108 -6.944 -5.117 2.824 890 HE1 PHE 108 HE2 PHE 108 -4.455 -1.333 4.748 891 HE2 PHE 108 HE1 PHE 108 -4.730 -4.528 1.941 892 HZ PHE 108 HZ PHE 108 -3.481 -2.638 2.901 893 H LYS 109 H LYS 109 -9.879 -6.445 5.098 894 HA LYS 109 HA LYS 109 -11.944 -6.239 7.156 895 HB2 LYS 109 2HB LYS 109 -12.305 -5.437 4.285 896 HB3 LYS 109 1HB LYS 109 -13.649 -6.186 5.132 897 HG2 LYS 109 2HG LYS 109 -12.239 -3.635 5.918 898 HG3 LYS 109 1HG LYS 109 -13.845 -3.777 5.200 899 HD2 LYS 109 2HD LYS 109 -14.465 -5.194 7.226 900 HD3 LYS 109 1HD LYS 109 -12.950 -4.649 7.946 901 HE2 LYS 109 2HE LYS 109 -14.696 -3.229 8.752 902 HE3 LYS 109 1HE LYS 109 -13.735 -2.292 7.607 903 HZ1 LYS 109 3HZ LYS 109 -16.104 -1.957 7.265 904 HZ2 LYS 109 1HZ LYS 109 -16.331 -3.613 7.020 905 HZ3 LYS 109 2HZ LYS 109 -15.420 -2.716 5.918 906 H SER 110 H SER 110 -13.921 -7.719 6.057 907 HA SER 110 HA SER 110 -13.139 -10.034 4.638 908 HB2 SER 110 2HB SER 110 -13.348 -11.698 6.514 909 HB3 SER 110 1HB SER 110 -11.917 -10.675 6.634 910 HG SER 110 HG SER 110 -12.629 -10.240 8.554 911 H ASN 111 H ASN 111 -15.126 -8.870 3.795 912 HA ASN 111 HA ASN 111 -17.564 -9.768 5.205 913 HB2 ASN 111 2HB ASN 111 -17.268 -7.215 3.606 914 HB3 ASN 111 1HB ASN 111 -18.665 -7.711 4.556 915 HD21 ASN 111 1HD2 ASN 111 -18.562 -7.569 6.808 916 HD22 ASN 111 2HD2 ASN 111 -17.326 -6.677 7.619 917 HA PRO 112 HA PRO 112 -17.910 -11.494 0.897 918 HB2 PRO 112 2HB PRO 112 -18.809 -13.945 2.210 919 HB3 PRO 112 1HB PRO 112 -17.436 -13.708 1.127 920 HG2 PRO 112 2HG PRO 112 -17.155 -14.251 3.781 921 HG3 PRO 112 1HG PRO 112 -15.976 -13.307 2.853 922 HD2 PRO 112 2HD PRO 112 -18.134 -12.350 4.711 923 HD3 PRO 112 1HD PRO 112 -16.460 -11.777 4.534 924 H TYR 113 H TYR 113 -20.056 -12.917 3.351 925 HA TYR 113 HA TYR 113 -22.413 -12.078 1.847 926 HB2 TYR 113 2HB TYR 113 -23.622 -13.480 3.590 927 HB3 TYR 113 1HB TYR 113 -22.500 -14.349 2.551 928 HD1 TYR 113 HD2 TYR 113 -23.009 -13.016 5.966 929 HD2 TYR 113 HD1 TYR 113 -20.563 -15.435 3.455 930 HE1 TYR 113 HE2 TYR 113 -21.851 -13.894 7.950 931 HE2 TYR 113 HE1 TYR 113 -19.400 -16.318 5.433 932 HH TYR 113 HH TYR 113 -20.565 -15.904 8.592 933 H LEU 114 H LEU 114 -20.548 -10.469 3.862 934 HA LEU 114 HA LEU 114 -22.705 -9.263 5.460 935 HB2 LEU 114 2HB LEU 114 -19.711 -8.887 5.634 936 HB3 LEU 114 1HB LEU 114 -20.888 -8.132 6.692 937 HG LEU 114 HG LEU 114 -20.401 -11.112 6.479 938 HD11 LEU 114 1HD1 LEU 114 -18.528 -9.943 7.532 939 HD12 LEU 114 2HD1 LEU 114 -19.414 -10.926 8.698 940 HD13 LEU 114 3HD1 LEU 114 -19.641 -9.176 8.667 941 HD21 LEU 114 3HD2 LEU 114 -22.169 -9.539 8.358 942 HD22 LEU 114 1HD2 LEU 114 -21.860 -11.274 8.441 943 HD23 LEU 114 2HD2 LEU 114 -22.713 -10.598 7.055 944 H GLU 115 H GLU 115 -20.530 -8.603 2.819 945 HA GLU 115 HA GLU 115 -21.476 -5.825 2.629 946 HB2 GLU 115 2HB GLU 115 -18.966 -6.872 2.249 947 HB3 GLU 115 1HB GLU 115 -19.565 -6.847 0.600 948 HG2 GLU 115 2HG GLU 115 -19.557 -4.439 2.416 949 HG3 GLU 115 1HG GLU 115 -18.248 -4.838 1.309 950 H HIS 116 H HIS 116 -22.597 -5.104 0.767 951 HA HIS 116 HA HIS 116 -24.004 -5.189 -1.016 952 HB2 HIS 116 2HB HIS 116 -23.019 -8.011 -1.504 953 HB3 HIS 116 1HB HIS 116 -23.915 -7.002 -2.635 954 HD1 HIS 116 HD1 HIS 116 -20.586 -8.021 -1.892 955 HD2 HIS 116 HD2 HIS 116 -22.338 -4.490 -3.199 956 HE1 HIS 116 HE1 HIS 116 -18.727 -6.687 -2.906 957 HE2 HIS 116 HE2 HIS 116 -19.767 -4.458 -3.410 958 H HIS 117 H HIS 117 -24.032 -8.384 0.606 959 HA HIS 117 HA HIS 117 -26.706 -9.008 0.496 960 HB2 HIS 117 2HB HIS 117 -25.157 -10.551 1.462 961 HB3 HIS 117 1HB HIS 117 -24.682 -9.405 2.706 962 HD1 HIS 117 HD1 HIS 117 -27.652 -11.548 1.720 963 HD2 HIS 117 HD2 HIS 117 -26.086 -9.608 5.044 964 HE1 HIS 117 HE1 HIS 117 -29.052 -12.297 3.657 965 HE2 HIS 117 HE2 HIS 117 -27.972 -11.261 5.674 966 H HIS 118 H HIS 118 -28.412 -7.729 0.915 967 HA HIS 118 HA HIS 118 -28.533 -6.180 3.383 968 HB2 HIS 118 2HB HIS 118 -27.574 -4.952 1.101 969 HB3 HIS 118 1HB HIS 118 -29.285 -4.551 1.040 970 HD1 HIS 118 HD1 HIS 118 -29.890 -2.488 2.272 971 HD2 HIS 118 HD2 HIS 118 -26.426 -4.228 3.770 972 HE1 HIS 118 HE1 HIS 118 -29.064 -0.923 4.050 973 HE2 HIS 118 HE2 HIS 118 -27.104 -2.109 5.081 974 H HIS 119 H HIS 119 -30.657 -5.610 4.005 975 HA HIS 119 HA HIS 119 -32.728 -7.314 3.222 976 HB2 HIS 119 2HB HIS 119 -32.894 -4.627 4.607 977 HB3 HIS 119 1HB HIS 119 -34.236 -5.762 4.475 978 HD1 HIS 119 HD1 HIS 119 -31.383 -4.925 6.576 979 HD2 HIS 119 HD2 HIS 119 -33.676 -8.309 5.821 980 HE1 HIS 119 HE1 HIS 119 -30.928 -6.487 8.487 981 HE2 HIS 119 HE2 HIS 119 -32.367 -8.500 8.040 982 H HIS 120 H HIS 120 -32.046 -4.004 2.136 983 HA HIS 120 HA HIS 120 -33.223 -4.692 -0.410 984 HB2 HIS 120 2HB HIS 120 -34.820 -2.944 -0.582 985 HB3 HIS 120 1HB HIS 120 -35.135 -3.723 0.962 986 HD1 HIS 120 HD1 HIS 120 -34.511 -0.481 -0.555 987 HD2 HIS 120 HD2 HIS 120 -34.126 -2.145 3.234 988 HE1 HIS 120 HE1 HIS 120 -34.338 1.464 1.017 989 HE2 HIS 120 HE2 HIS 120 -34.172 0.442 3.310 990 H HIS 121 H HIS 121 -32.615 -3.231 -2.116 991 HA HIS 121 HA HIS 121 -30.547 -1.248 -1.486 992 HB2 HIS 121 2HB HIS 121 -29.266 -3.286 -1.739 993 HB3 HIS 121 1HB HIS 121 -30.101 -3.680 -3.236 994 HD1 HIS 121 HD1 HIS 121 -29.206 -2.681 -5.368 995 HD2 HIS 121 HD2 HIS 121 -27.348 -1.159 -1.979 996 HE1 HIS 121 HE1 HIS 121 -27.247 -1.356 -6.213 997 HE2 HIS 121 HE2 HIS 121 -26.043 -0.597 -4.140 Start of MODEL 11 1 H1 MET 1 1H MET 1 22.062 -14.580 8.111 2 H2 MET 1 2H MET 1 20.897 -15.063 6.983 3 H3 MET 1 3H MET 1 20.715 -15.470 8.615 4 HA MET 1 HA MET 1 19.246 -13.662 7.976 5 HB2 MET 1 2HB MET 1 20.144 -13.869 10.287 6 HB3 MET 1 1HB MET 1 21.464 -12.796 9.849 7 HG2 MET 1 2HG MET 1 19.851 -11.004 9.409 8 HG3 MET 1 1HG MET 1 18.536 -12.085 9.871 9 HE1 MET 1 3HE MET 1 19.367 -12.706 13.677 10 HE2 MET 1 1HE MET 1 19.970 -13.668 12.326 11 HE3 MET 1 2HE MET 1 18.292 -13.119 12.341 12 H LEU 2 H LEU 2 22.632 -12.455 8.003 13 HA LEU 2 HA LEU 2 21.916 -10.246 6.265 14 HB2 LEU 2 2HB LEU 2 24.574 -11.125 7.410 15 HB3 LEU 2 1HB LEU 2 24.373 -9.717 6.388 16 HG LEU 2 HG LEU 2 24.503 -8.960 8.646 17 HD11 LEU 2 1HD1 LEU 2 22.881 -7.801 7.238 18 HD12 LEU 2 2HD1 LEU 2 22.393 -7.794 8.932 19 HD13 LEU 2 3HD1 LEU 2 21.611 -8.891 7.794 20 HD21 LEU 2 3HD2 LEU 2 22.259 -10.868 9.320 21 HD22 LEU 2 1HD2 LEU 2 23.000 -9.703 10.419 22 HD23 LEU 2 2HD2 LEU 2 23.950 -11.049 9.790 23 H SER 3 H SER 3 21.324 -11.106 4.295 24 HA SER 3 HA SER 3 23.239 -12.837 2.869 25 HB2 SER 3 2HB SER 3 20.894 -13.629 3.007 26 HB3 SER 3 1HB SER 3 20.359 -12.166 2.180 27 HG SER 3 HG SER 3 20.813 -13.111 0.368 28 H GLN 4 H GLN 4 23.401 -12.435 0.451 29 HA GLN 4 HA GLN 4 22.971 -9.736 -0.480 30 HB2 GLN 4 2HB GLN 4 25.326 -9.225 -0.961 31 HB3 GLN 4 1HB GLN 4 25.045 -9.408 0.764 32 HG2 GLN 4 2HG GLN 4 26.028 -11.620 0.733 33 HG3 GLN 4 1HG GLN 4 26.225 -11.538 -1.018 34 HE21 GLN 4 1HE2 GLN 4 28.444 -11.798 -0.912 35 HE22 GLN 4 2HE2 GLN 4 29.504 -10.582 -0.294 36 H ALA 5 H ALA 5 22.354 -9.903 -2.518 37 HA ALA 5 HA ALA 5 23.765 -11.090 -4.609 38 HB1 ALA 5 3HB ALA 5 23.157 -13.237 -3.589 39 HB2 ALA 5 1HB ALA 5 22.384 -13.040 -5.162 40 HB3 ALA 5 2HB ALA 5 21.450 -12.805 -3.683 41 H ASN 6 H ASN 6 22.315 -11.310 -6.648 42 HA ASN 6 HA ASN 6 20.943 -8.847 -6.994 43 HB2 ASN 6 2HB ASN 6 21.118 -11.317 -8.729 44 HB3 ASN 6 1HB ASN 6 20.296 -9.846 -9.235 45 HD21 ASN 6 1HD2 ASN 6 23.196 -9.732 -7.291 46 HD22 ASN 6 2HD2 ASN 6 24.228 -9.139 -8.536 47 H GLU 7 H GLU 7 19.851 -12.150 -6.443 48 HA GLU 7 HA GLU 7 17.089 -11.705 -6.854 49 HB2 GLU 7 2HB GLU 7 16.736 -13.801 -5.629 50 HB3 GLU 7 1HB GLU 7 18.050 -13.967 -6.785 51 HG2 GLU 7 2HG GLU 7 19.691 -13.801 -5.027 52 HG3 GLU 7 1HG GLU 7 18.438 -13.454 -3.838 53 H ASP 8 H ASP 8 19.143 -11.327 -3.981 54 HA ASP 8 HA ASP 8 17.068 -11.020 -2.103 55 HB2 ASP 8 2HB ASP 8 19.926 -10.041 -2.093 56 HB3 ASP 8 1HB ASP 8 18.839 -9.847 -0.720 57 H PHE 9 H PHE 9 18.677 -8.640 -4.190 58 HA PHE 9 HA PHE 9 17.517 -6.326 -3.082 59 HB2 PHE 9 2HB PHE 9 18.425 -6.892 -5.914 60 HB3 PHE 9 1HB PHE 9 17.914 -5.304 -5.358 61 HD1 PHE 9 HD1 PHE 9 19.163 -4.422 -3.217 62 HD2 PHE 9 HD2 PHE 9 20.678 -7.423 -5.833 63 HE1 PHE 9 HE1 PHE 9 21.449 -3.938 -2.446 64 HE2 PHE 9 HE2 PHE 9 22.963 -6.950 -5.062 65 HZ PHE 9 HZ PHE 9 23.350 -5.205 -3.365 66 H LYS 10 H LYS 10 16.456 -8.134 -5.998 67 HA LYS 10 HA LYS 10 13.999 -6.779 -6.294 68 HB2 LYS 10 2HB LYS 10 13.409 -8.440 -7.898 69 HB3 LYS 10 1HB LYS 10 15.150 -8.234 -8.023 70 HG2 LYS 10 2HG LYS 10 15.493 -10.273 -6.713 71 HG3 LYS 10 1HG LYS 10 13.744 -10.489 -6.599 72 HD2 LYS 10 2HD LYS 10 15.372 -10.461 -9.153 73 HD3 LYS 10 1HD LYS 10 14.704 -11.894 -8.369 74 HE2 LYS 10 2HE LYS 10 12.436 -11.056 -8.730 75 HE3 LYS 10 1HE LYS 10 13.084 -9.588 -9.466 76 HZ1 LYS 10 3HZ LYS 10 14.052 -10.948 -11.220 77 HZ2 LYS 10 1HZ LYS 10 12.378 -11.169 -11.142 78 HZ3 LYS 10 2HZ LYS 10 13.416 -12.347 -10.517 79 H LYS 11 H LYS 11 14.927 -9.567 -4.414 80 HA LYS 11 HA LYS 11 12.486 -10.631 -3.632 81 HB2 LYS 11 2HB LYS 11 14.621 -11.692 -3.174 82 HB3 LYS 11 1HB LYS 11 15.084 -10.382 -2.103 83 HG2 LYS 11 2HG LYS 11 13.365 -11.040 -0.515 84 HG3 LYS 11 1HG LYS 11 12.821 -12.312 -1.615 85 HD2 LYS 11 2HD LYS 11 14.975 -13.427 -1.445 86 HD3 LYS 11 1HD LYS 11 15.593 -12.132 -0.421 87 HE2 LYS 11 2HE LYS 11 13.986 -12.705 1.311 88 HE3 LYS 11 1HE LYS 11 13.285 -13.946 0.270 89 HZ1 LYS 11 3HZ LYS 11 15.395 -15.115 0.305 90 HZ2 LYS 11 1HZ LYS 11 14.810 -14.902 1.876 91 HZ3 LYS 11 2HZ LYS 11 16.068 -13.932 1.300 92 H ILE 12 H ILE 12 14.390 -8.095 -1.962 93 HA ILE 12 HA ILE 12 12.582 -7.556 0.102 94 HB ILE 12 HB ILE 12 14.473 -5.629 -1.282 95 HG12 ILE 12 2HG1 ILE 12 14.818 -7.264 1.257 96 HG13 ILE 12 1HG1 ILE 12 15.561 -7.632 -0.297 97 HG21 ILE 12 1HG2 ILE 12 14.327 -4.285 0.777 98 HG22 ILE 12 2HG2 ILE 12 13.099 -5.388 1.403 99 HG23 ILE 12 3HG2 ILE 12 12.763 -4.414 -0.030 100 HD11 ILE 12 3HD1 ILE 12 16.071 -5.188 1.387 101 HD12 ILE 12 1HD1 ILE 12 16.802 -5.521 -0.186 102 HD13 ILE 12 2HD1 ILE 12 17.144 -6.573 1.188 103 H VAL 13 H VAL 13 12.827 -6.032 -3.119 104 HA VAL 13 HA VAL 13 10.813 -4.124 -2.876 105 HB VAL 13 HB VAL 13 11.529 -5.665 -5.387 106 HG11 VAL 13 1HG1 VAL 13 10.226 -2.959 -5.026 107 HG12 VAL 13 2HG1 VAL 13 9.459 -4.417 -5.657 108 HG13 VAL 13 3HG1 VAL 13 10.753 -3.637 -6.566 109 HG21 VAL 13 3HG2 VAL 13 13.099 -3.835 -5.841 110 HG22 VAL 13 1HG2 VAL 13 13.511 -4.675 -4.346 111 HG23 VAL 13 2HG2 VAL 13 12.707 -3.106 -4.284 112 H ASN 14 H ASN 14 10.523 -7.555 -3.733 113 HA ASN 14 HA ASN 14 7.674 -7.390 -4.157 114 HB2 ASN 14 2HB ASN 14 9.584 -9.721 -3.964 115 HB3 ASN 14 1HB ASN 14 7.848 -9.932 -4.179 116 HD21 ASN 14 1HD2 ASN 14 10.809 -8.977 -5.673 117 HD22 ASN 14 2HD2 ASN 14 10.186 -8.825 -7.275 118 H ASN 15 H ASN 15 9.777 -8.237 -1.470 119 HA ASN 15 HA ASN 15 7.556 -9.265 0.111 120 HB2 ASN 15 2HB ASN 15 10.492 -8.950 0.769 121 HB3 ASN 15 1HB ASN 15 9.301 -9.682 1.839 122 HD21 ASN 15 1HD2 ASN 15 11.659 -10.878 0.716 123 HD22 ASN 15 2HD2 ASN 15 11.132 -12.233 -0.214 124 H ILE 16 H ILE 16 8.152 -6.243 -0.641 125 HA ILE 16 HA ILE 16 8.357 -4.853 1.799 126 HB ILE 16 HB ILE 16 6.960 -4.019 -0.755 127 HG12 ILE 16 2HG1 ILE 16 9.716 -3.356 0.324 128 HG13 ILE 16 1HG1 ILE 16 9.375 -4.455 -1.006 129 HG21 ILE 16 1HG2 ILE 16 7.137 -1.717 0.104 130 HG22 ILE 16 2HG2 ILE 16 7.749 -2.345 1.635 131 HG23 ILE 16 3HG2 ILE 16 6.106 -2.725 1.120 132 HD11 ILE 16 3HD1 ILE 16 8.447 -2.581 -2.293 133 HD12 ILE 16 1HD1 ILE 16 10.135 -2.332 -1.848 134 HD13 ILE 16 2HD1 ILE 16 8.859 -1.491 -0.970 135 H ARG 17 H ARG 17 7.017 -4.806 3.475 136 HA ARG 17 HA ARG 17 4.121 -5.228 3.045 137 HB2 ARG 17 2HB ARG 17 5.382 -7.293 3.874 138 HB3 ARG 17 1HB ARG 17 5.668 -6.410 5.364 139 HG2 ARG 17 2HG ARG 17 3.805 -7.938 5.614 140 HG3 ARG 17 1HG ARG 17 3.250 -6.272 5.749 141 HD2 ARG 17 2HD ARG 17 2.007 -6.390 3.843 142 HD3 ARG 17 1HD ARG 17 3.152 -7.460 3.036 143 HE ARG 17 HE ARG 17 2.140 -9.313 4.101 144 HH11 ARG 17 1HH1 ARG 17 0.467 -6.366 4.753 145 HH12 ARG 17 2HH1 ARG 17 -0.996 -7.169 5.189 146 HH21 ARG 17 1HH2 ARG 17 0.250 -10.321 4.636 147 HH22 ARG 17 2HH2 ARG 17 -1.122 -9.383 5.119 148 H LEU 18 H LEU 18 2.755 -4.032 4.371 149 HA LEU 18 HA LEU 18 3.762 -1.592 5.365 150 HB2 LEU 18 2HB LEU 18 1.340 -1.409 6.320 151 HB3 LEU 18 1HB LEU 18 1.623 -1.367 4.593 152 HG LEU 18 HG LEU 18 0.989 -3.783 4.467 153 HD11 LEU 18 1HD1 LEU 18 1.494 -4.479 6.731 154 HD12 LEU 18 2HD1 LEU 18 -0.207 -4.784 6.375 155 HD13 LEU 18 3HD1 LEU 18 0.251 -3.401 7.368 156 HD21 LEU 18 3HD2 LEU 18 -1.406 -3.408 4.704 157 HD22 LEU 18 1HD2 LEU 18 -0.629 -1.997 3.985 158 HD23 LEU 18 2HD2 LEU 18 -1.104 -1.974 5.685 159 H LYS 19 H LYS 19 3.904 -4.544 6.907 160 HA LYS 19 HA LYS 19 4.152 -3.230 9.539 161 HB2 LYS 19 2HB LYS 19 3.338 -5.964 8.713 162 HB3 LYS 19 1HB LYS 19 4.354 -5.873 10.145 163 HG2 LYS 19 2HG LYS 19 1.750 -4.391 9.770 164 HG3 LYS 19 1HG LYS 19 1.954 -5.892 10.677 165 HD2 LYS 19 2HD LYS 19 3.570 -4.725 12.163 166 HD3 LYS 19 1HD LYS 19 3.238 -3.225 11.295 167 HE2 LYS 19 2HE LYS 19 1.942 -3.276 13.330 168 HE3 LYS 19 1HE LYS 19 0.858 -3.418 11.947 169 HZ1 LYS 19 3HZ LYS 19 0.785 -5.818 12.319 170 HZ2 LYS 19 1HZ LYS 19 0.244 -4.960 13.673 171 HZ3 LYS 19 2HZ LYS 19 1.788 -5.651 13.672 172 H ASP 20 H ASP 20 5.893 -4.767 7.015 173 HA ASP 20 HA ASP 20 8.214 -5.376 8.668 174 HB2 ASP 20 2HB ASP 20 7.597 -7.061 7.067 175 HB3 ASP 20 1HB ASP 20 7.555 -5.885 5.760 176 H THR 21 H THR 21 7.599 -3.555 5.655 177 HA THR 21 HA THR 21 10.326 -2.592 5.668 178 HB THR 21 HB THR 21 8.199 -1.884 3.647 179 HG1 THR 21 HG1 THR 21 9.663 -4.284 4.018 180 HG21 THR 21 3HG2 THR 21 10.118 -1.732 2.122 181 HG22 THR 21 1HG2 THR 21 11.209 -2.160 3.442 182 HG23 THR 21 2HG2 THR 21 10.314 -0.641 3.493 183 H PHE 22 H PHE 22 7.114 -0.982 5.554 184 HA PHE 22 HA PHE 22 8.317 1.383 6.808 185 HB2 PHE 22 2HB PHE 22 7.454 2.906 5.138 186 HB3 PHE 22 1HB PHE 22 8.449 1.700 4.333 187 HD1 PHE 22 HD1 PHE 22 7.262 -0.254 3.175 188 HD2 PHE 22 HD2 PHE 22 5.233 3.265 4.478 189 HE1 PHE 22 HE1 PHE 22 5.392 -0.762 1.657 190 HE2 PHE 22 HE2 PHE 22 3.369 2.754 2.964 191 HZ PHE 22 HZ PHE 22 3.443 0.742 1.549 192 H ASP 23 H ASP 23 6.528 3.107 7.136 193 HA ASP 23 HA ASP 23 3.936 1.867 7.830 194 HB2 ASP 23 2HB ASP 23 5.206 2.165 9.888 195 HB3 ASP 23 1HB ASP 23 5.577 3.832 9.462 196 H PHE 24 H PHE 24 2.207 2.958 6.930 197 HA PHE 24 HA PHE 24 2.830 5.577 5.704 198 HB2 PHE 24 2HB PHE 24 1.288 5.109 3.946 199 HB3 PHE 24 1HB PHE 24 2.303 3.687 4.132 200 HD1 PHE 24 HD1 PHE 24 1.316 1.751 5.590 201 HD2 PHE 24 HD2 PHE 24 -1.012 4.885 3.874 202 HE1 PHE 24 HE1 PHE 24 -0.710 0.352 5.763 203 HE2 PHE 24 HE2 PHE 24 -3.027 3.491 4.050 204 HZ PHE 24 HZ PHE 24 -2.874 1.222 4.994 205 H LYS 25 H LYS 25 1.215 7.212 5.634 206 HA LYS 25 HA LYS 25 -1.010 6.917 7.546 207 HB2 LYS 25 2HB LYS 25 0.866 8.040 8.704 208 HB3 LYS 25 1HB LYS 25 0.895 9.274 7.450 209 HG2 LYS 25 2HG LYS 25 -1.485 9.831 8.093 210 HG3 LYS 25 1HG LYS 25 -1.277 8.757 9.478 211 HD2 LYS 25 2HD LYS 25 -0.856 11.029 10.180 212 HD3 LYS 25 1HD LYS 25 0.666 10.138 10.198 213 HE2 LYS 25 2HE LYS 25 1.179 11.086 7.952 214 HE3 LYS 25 1HE LYS 25 -0.285 12.061 8.073 215 HZ1 LYS 25 3HZ LYS 25 0.654 13.081 10.081 216 HZ2 LYS 25 1HZ LYS 25 1.618 13.351 8.717 217 HZ3 LYS 25 2HZ LYS 25 2.079 12.196 9.864 218 H LEU 26 H LEU 26 -2.881 7.947 6.977 219 HA LEU 26 HA LEU 26 -2.926 9.397 4.414 220 HB2 LEU 26 2HB LEU 26 -5.204 8.207 6.018 221 HB3 LEU 26 1HB LEU 26 -5.381 9.042 4.487 222 HG LEU 26 HG LEU 26 -5.542 6.722 4.033 223 HD11 LEU 26 1HD1 LEU 26 -3.654 6.319 2.533 224 HD12 LEU 26 2HD1 LEU 26 -2.765 7.641 3.292 225 HD13 LEU 26 3HD1 LEU 26 -4.251 7.973 2.401 226 HD21 LEU 26 3HD2 LEU 26 -2.946 6.324 5.522 227 HD22 LEU 26 1HD2 LEU 26 -3.869 5.076 4.684 228 HD23 LEU 26 2HD2 LEU 26 -4.551 5.874 6.103 229 H ALA 27 H ALA 27 -3.566 11.531 4.299 230 HA ALA 27 HA ALA 27 -3.379 13.252 6.443 231 HB1 ALA 27 3HB ALA 27 -4.453 14.933 5.050 232 HB2 ALA 27 1HB ALA 27 -5.070 13.676 3.978 233 HB3 ALA 27 2HB ALA 27 -3.334 13.961 4.095 234 H ALA 28 H ALA 28 -6.319 11.663 5.236 235 HA ALA 28 HA ALA 28 -8.012 12.976 7.197 236 HB1 ALA 28 3HB ALA 28 -8.679 10.805 5.208 237 HB2 ALA 28 1HB ALA 28 -8.859 12.539 4.942 238 HB3 ALA 28 2HB ALA 28 -9.839 11.728 6.165 239 H PHE 29 H PHE 29 -6.057 10.189 7.170 240 HA PHE 29 HA PHE 29 -7.471 9.142 9.543 241 HB2 PHE 29 2HB PHE 29 -6.100 7.497 7.398 242 HB3 PHE 29 1HB PHE 29 -6.753 6.855 8.901 243 HD1 PHE 29 HD1 PHE 29 -9.318 7.601 9.312 244 HD2 PHE 29 HD2 PHE 29 -7.408 7.241 5.518 245 HE1 PHE 29 HE1 PHE 29 -11.507 7.288 8.237 246 HE2 PHE 29 HE2 PHE 29 -9.598 6.934 4.442 247 HZ PHE 29 HZ PHE 29 -11.653 6.956 5.803 248 HA PRO 30 HA PRO 30 -3.102 9.972 10.771 249 HB2 PRO 30 2HB PRO 30 -3.582 11.491 12.924 250 HB3 PRO 30 1HB PRO 30 -3.696 12.153 11.287 251 HG2 PRO 30 2HG PRO 30 -5.888 11.247 13.120 252 HG3 PRO 30 1HG PRO 30 -5.820 12.685 12.084 253 HD2 PRO 30 2HD PRO 30 -7.123 10.340 11.414 254 HD3 PRO 30 1HD PRO 30 -6.528 11.527 10.237 255 H ASN 31 H ASN 31 -5.843 9.041 12.865 256 HA ASN 31 HA ASN 31 -3.992 7.422 14.516 257 HB2 ASN 31 2HB ASN 31 -6.594 8.797 15.195 258 HB3 ASN 31 1HB ASN 31 -5.932 7.519 16.207 259 HD21 ASN 31 1HD2 ASN 31 -3.880 9.821 14.557 260 HD22 ASN 31 2HD2 ASN 31 -3.372 10.654 15.975 261 H GLN 32 H GLN 32 -5.662 6.808 11.954 262 HA GLN 32 HA GLN 32 -7.236 4.552 13.009 263 HB2 GLN 32 2HB GLN 32 -7.345 5.848 10.275 264 HB3 GLN 32 1HB GLN 32 -8.393 4.559 10.849 265 HG2 GLN 32 2HG GLN 32 -8.246 7.357 11.957 266 HG3 GLN 32 1HG GLN 32 -9.530 6.698 10.946 267 HE21 GLN 32 1HE2 GLN 32 -9.564 7.811 13.696 268 HE22 GLN 32 2HE2 GLN 32 -10.307 6.587 14.663 269 H ASN 33 H ASN 33 -6.946 2.465 12.253 270 HA ASN 33 HA ASN 33 -4.297 1.964 11.070 271 HB2 ASN 33 2HB ASN 33 -4.919 1.046 13.354 272 HB3 ASN 33 1HB ASN 33 -6.080 0.005 12.544 273 HD21 ASN 33 1HD2 ASN 33 -3.769 -0.716 14.127 274 HD22 ASN 33 2HD2 ASN 33 -2.762 -1.675 13.104 275 H TYR 34 H TYR 34 -4.049 0.835 9.185 276 HA TYR 34 HA TYR 34 -6.044 0.482 7.298 277 HB2 TYR 34 2HB TYR 34 -4.423 -1.221 6.265 278 HB3 TYR 34 1HB TYR 34 -3.832 0.416 6.508 279 HD1 TYR 34 HD1 TYR 34 -3.771 -3.004 7.997 280 HD2 TYR 34 HD2 TYR 34 -1.903 0.818 7.785 281 HE1 TYR 34 HE1 TYR 34 -1.852 -3.872 9.264 282 HE2 TYR 34 HE2 TYR 34 0.019 -0.041 9.051 283 HH TYR 34 HH TYR 34 0.633 -1.794 10.490 284 H ASP 35 H ASP 35 -5.230 -1.536 9.978 285 HA ASP 35 HA ASP 35 -6.286 -4.003 9.318 286 HB2 ASP 35 2HB ASP 35 -5.020 -3.601 11.342 287 HB3 ASP 35 1HB ASP 35 -6.269 -2.527 11.959 288 H GLN 36 H GLN 36 -8.028 -1.053 10.110 289 HA GLN 36 HA GLN 36 -10.575 -2.561 10.107 290 HB2 GLN 36 2HB GLN 36 -9.846 -0.037 11.598 291 HB3 GLN 36 1HB GLN 36 -11.483 -0.674 11.487 292 HG2 GLN 36 2HG GLN 36 -9.129 -2.130 12.684 293 HG3 GLN 36 1HG GLN 36 -10.360 -1.257 13.597 294 HE21 GLN 36 1HE2 GLN 36 -9.662 -4.105 11.729 295 HE22 GLN 36 2HE2 GLN 36 -11.097 -4.971 12.151 296 H LEU 37 H LEU 37 -8.815 -0.495 8.206 297 HA LEU 37 HA LEU 37 -11.136 1.053 7.289 298 HB2 LEU 37 2HB LEU 37 -8.179 1.424 7.045 299 HB3 LEU 37 1HB LEU 37 -9.217 2.135 5.825 300 HG LEU 37 HG LEU 37 -8.662 3.771 7.549 301 HD11 LEU 37 1HD1 LEU 37 -11.559 2.924 7.661 302 HD12 LEU 37 2HD1 LEU 37 -10.821 3.958 6.437 303 HD13 LEU 37 3HD1 LEU 37 -10.923 4.509 8.108 304 HD21 LEU 37 3HD2 LEU 37 -10.005 1.860 9.467 305 HD22 LEU 37 1HD2 LEU 37 -9.509 3.509 9.846 306 HD23 LEU 37 2HD2 LEU 37 -8.297 2.297 9.439 307 H LEU 38 H LEU 38 -12.205 0.537 5.538 308 HA LEU 38 HA LEU 38 -11.498 -1.670 3.886 309 HB2 LEU 38 2HB LEU 38 -13.627 0.446 3.505 310 HB3 LEU 38 1HB LEU 38 -13.515 -1.047 2.593 311 HG LEU 38 HG LEU 38 -14.028 -0.847 5.572 312 HD11 LEU 38 1HD1 LEU 38 -15.943 -0.101 4.247 313 HD12 LEU 38 2HD1 LEU 38 -16.276 -1.643 5.034 314 HD13 LEU 38 3HD1 LEU 38 -15.891 -1.596 3.312 315 HD21 LEU 38 3HD2 LEU 38 -12.784 -2.864 5.007 316 HD22 LEU 38 1HD2 LEU 38 -13.962 -3.260 3.753 317 HD23 LEU 38 2HD2 LEU 38 -14.445 -3.257 5.450 318 HA PRO 39 HA PRO 39 -8.814 -0.100 0.716 319 HB2 PRO 39 2HB PRO 39 -10.932 -1.259 -1.082 320 HB3 PRO 39 1HB PRO 39 -9.173 -1.390 -1.198 321 HG2 PRO 39 2HG PRO 39 -10.576 -3.399 -0.186 322 HG3 PRO 39 1HG PRO 39 -9.039 -2.920 0.561 323 HD2 PRO 39 2HD PRO 39 -11.826 -2.476 1.515 324 HD3 PRO 39 1HD PRO 39 -10.334 -2.696 2.449 325 H SER 40 H SER 40 -12.284 0.329 -0.100 326 HA SER 40 HA SER 40 -11.933 2.497 -1.859 327 HB2 SER 40 2HB SER 40 -14.369 1.773 -0.205 328 HB3 SER 40 1HB SER 40 -14.363 2.891 -1.569 329 HG SER 40 HG SER 40 -13.523 1.058 -2.821 330 H GLN 41 H GLN 41 -12.177 2.439 1.641 331 HA GLN 41 HA GLN 41 -12.779 5.209 1.997 332 HB2 GLN 41 2HB GLN 41 -11.651 3.110 3.859 333 HB3 GLN 41 1HB GLN 41 -11.971 4.761 4.373 334 HG2 GLN 41 2HG GLN 41 -14.050 2.902 3.229 335 HG3 GLN 41 1HG GLN 41 -13.766 3.153 4.951 336 HE21 GLN 41 1HE2 GLN 41 -16.157 3.687 3.359 337 HE22 GLN 41 2HE2 GLN 41 -16.502 5.362 3.578 338 H ILE 42 H ILE 42 -9.739 3.367 2.326 339 HA ILE 42 HA ILE 42 -8.111 5.572 3.003 340 HB ILE 42 HB ILE 42 -7.361 2.903 1.786 341 HG12 ILE 42 2HG1 ILE 42 -7.341 3.904 4.650 342 HG13 ILE 42 1HG1 ILE 42 -8.458 2.726 3.971 343 HG21 ILE 42 1HG2 ILE 42 -5.589 4.522 1.372 344 HG22 ILE 42 2HG2 ILE 42 -5.081 3.352 2.589 345 HG23 ILE 42 3HG2 ILE 42 -5.578 4.973 3.077 346 HD11 ILE 42 3HD1 ILE 42 -6.595 1.183 3.603 347 HD12 ILE 42 1HD1 ILE 42 -6.757 1.639 5.299 348 HD13 ILE 42 2HD1 ILE 42 -5.489 2.363 4.310 349 H TYR 43 H TYR 43 -8.830 4.071 -0.132 350 HA TYR 43 HA TYR 43 -6.915 5.235 -1.733 351 HB2 TYR 43 2HB TYR 43 -8.338 3.570 -2.674 352 HB3 TYR 43 1HB TYR 43 -9.786 4.521 -2.349 353 HD1 TYR 43 HD1 TYR 43 -6.613 4.627 -4.335 354 HD2 TYR 43 HD2 TYR 43 -10.682 5.861 -4.044 355 HE1 TYR 43 HE1 TYR 43 -6.470 5.620 -6.581 356 HE2 TYR 43 HE2 TYR 43 -10.548 6.849 -6.290 357 HH TYR 43 HH TYR 43 -7.944 6.265 -8.411 358 H LYS 44 H LYS 44 -9.933 6.696 -0.612 359 HA LYS 44 HA LYS 44 -10.027 8.784 -2.508 360 HB2 LYS 44 2HB LYS 44 -11.297 8.643 0.237 361 HB3 LYS 44 1HB LYS 44 -11.729 9.789 -1.028 362 HG2 LYS 44 2HG LYS 44 -12.369 7.890 -2.481 363 HG3 LYS 44 1HG LYS 44 -12.024 6.788 -1.152 364 HD2 LYS 44 2HD LYS 44 -14.086 8.999 -1.075 365 HD3 LYS 44 1HD LYS 44 -14.438 7.306 -1.413 366 HE2 LYS 44 2HE LYS 44 -14.946 7.539 0.853 367 HE3 LYS 44 1HE LYS 44 -13.335 6.825 0.858 368 HZ1 LYS 44 3HZ LYS 44 -13.844 9.734 1.127 369 HZ2 LYS 44 1HZ LYS 44 -12.379 8.927 1.369 370 HZ3 LYS 44 2HZ LYS 44 -13.661 8.693 2.443 371 H ASN 45 H ASN 45 -7.816 8.460 0.024 372 HA ASN 45 HA ASN 45 -7.621 11.344 0.519 373 HB2 ASN 45 2HB ASN 45 -6.126 9.029 1.756 374 HB3 ASN 45 1HB ASN 45 -5.926 10.717 2.217 375 HD21 ASN 45 1HD2 ASN 45 -8.840 11.208 1.812 376 HD22 ASN 45 2HD2 ASN 45 -9.600 10.515 3.193 377 H TYR 46 H TYR 46 -6.445 9.385 -1.853 378 HA TYR 46 HA TYR 46 -3.698 9.782 -1.924 379 HB2 TYR 46 2HB TYR 46 -3.755 9.282 -4.276 380 HB3 TYR 46 1HB TYR 46 -4.965 8.293 -3.471 381 HD1 TYR 46 HD2 TYR 46 -7.363 8.710 -3.852 382 HD2 TYR 46 HD1 TYR 46 -4.395 11.008 -5.860 383 HE1 TYR 46 HE2 TYR 46 -9.062 9.498 -5.435 384 HE2 TYR 46 HE1 TYR 46 -6.089 11.800 -7.456 385 HH TYR 46 HH TYR 46 -9.479 11.259 -6.969 386 H TYR 47 H TYR 47 -6.230 12.014 -2.924 387 HA TYR 47 HA TYR 47 -4.355 13.918 -4.050 388 HB2 TYR 47 2HB TYR 47 -6.609 13.647 -5.022 389 HB3 TYR 47 1HB TYR 47 -7.328 14.192 -3.512 390 HD1 TYR 47 HD1 TYR 47 -5.396 15.241 -6.475 391 HD2 TYR 47 HD2 TYR 47 -7.382 16.548 -2.939 392 HE1 TYR 47 HE1 TYR 47 -5.276 17.567 -7.267 393 HE2 TYR 47 HE2 TYR 47 -7.267 18.871 -3.727 394 HH TYR 47 HH TYR 47 -5.844 20.219 -5.279 395 H GLN 48 H GLN 48 -5.911 13.385 -0.982 396 HA GLN 48 HA GLN 48 -5.633 16.074 -0.014 397 HB2 GLN 48 2HB GLN 48 -6.217 13.484 1.440 398 HB3 GLN 48 1HB GLN 48 -6.229 15.068 2.206 399 HG2 GLN 48 2HG GLN 48 -8.011 14.216 -0.072 400 HG3 GLN 48 1HG GLN 48 -8.479 14.286 1.624 401 HE21 GLN 48 1HE2 GLN 48 -7.019 16.749 2.147 402 HE22 GLN 48 2HE2 GLN 48 -7.925 18.012 1.398 403 H GLY 49 H GLY 49 -3.857 13.030 0.621 404 HA2 GLY 49 2HA GLY 49 -1.318 13.952 0.609 405 HA3 GLY 49 1HA GLY 49 -1.865 14.429 2.207 406 H ILE 50 H ILE 50 -0.072 12.225 0.746 407 HA ILE 50 HA ILE 50 -0.670 10.145 2.767 408 HB ILE 50 HB ILE 50 0.420 9.662 -0.023 409 HG12 ILE 50 2HG1 ILE 50 -2.276 8.928 1.160 410 HG13 ILE 50 1HG1 ILE 50 -1.998 10.204 -0.022 411 HG21 ILE 50 1HG2 ILE 50 1.344 8.121 1.636 412 HG22 ILE 50 2HG2 ILE 50 0.254 7.280 0.537 413 HG23 ILE 50 3HG2 ILE 50 -0.284 7.696 2.166 414 HD11 ILE 50 3HD1 ILE 50 -1.531 7.262 -0.459 415 HD12 ILE 50 1HD1 ILE 50 -1.249 8.541 -1.640 416 HD13 ILE 50 2HD1 ILE 50 -2.885 8.211 -1.074 417 H GLU 51 H GLU 51 0.986 9.906 4.182 418 HA GLU 51 HA GLU 51 3.687 10.734 3.311 419 HB2 GLU 51 2HB GLU 51 2.438 10.780 6.062 420 HB3 GLU 51 1HB GLU 51 4.156 11.037 5.773 421 HG2 GLU 51 2HG GLU 51 3.568 12.957 4.307 422 HG3 GLU 51 1HG GLU 51 1.879 12.736 4.761 423 H ILE 52 H ILE 52 5.391 9.406 3.521 424 HA ILE 52 HA ILE 52 4.867 6.653 4.437 425 HB ILE 52 HB ILE 52 6.985 7.662 2.520 426 HG12 ILE 52 2HG1 ILE 52 4.750 7.774 1.533 427 HG13 ILE 52 1HG1 ILE 52 5.675 6.475 0.790 428 HG21 ILE 52 1HG2 ILE 52 7.403 5.268 2.061 429 HG22 ILE 52 2HG2 ILE 52 6.296 4.845 3.369 430 HG23 ILE 52 3HG2 ILE 52 7.785 5.721 3.722 431 HD11 ILE 52 3HD1 ILE 52 3.393 5.787 1.176 432 HD12 ILE 52 1HD1 ILE 52 3.540 6.164 2.892 433 HD13 ILE 52 2HD1 ILE 52 4.487 4.849 2.192 434 H GLN 53 H GLN 53 5.902 5.914 6.185 435 HA GLN 53 HA GLN 53 8.190 7.400 7.270 436 HB2 GLN 53 2HB GLN 53 6.384 6.987 8.845 437 HB3 GLN 53 1HB GLN 53 6.417 5.267 8.491 438 HG2 GLN 53 2HG GLN 53 7.466 5.710 10.623 439 HG3 GLN 53 1HG GLN 53 8.658 5.106 9.471 440 HE21 GLN 53 1HE2 GLN 53 10.371 6.002 10.601 441 HE22 GLN 53 2HE2 GLN 53 10.673 7.700 10.625 442 H GLN 54 H GLN 54 10.083 6.738 6.469 443 HA GLN 54 HA GLN 54 10.525 4.083 5.474 444 HB2 GLN 54 2HB GLN 54 12.381 6.440 5.868 445 HB3 GLN 54 1HB GLN 54 12.882 4.919 5.139 446 HG2 GLN 54 2HG GLN 54 11.184 5.225 3.382 447 HG3 GLN 54 1HG GLN 54 10.750 6.776 4.097 448 HE21 GLN 54 1HE2 GLN 54 11.283 7.864 2.214 449 HE22 GLN 54 2HE2 GLN 54 12.919 8.110 1.719 450 H HIS 55 H HIS 55 11.258 2.345 6.540 451 HA HIS 55 HA HIS 55 12.508 2.726 9.191 452 HB2 HIS 55 2HB HIS 55 10.217 2.147 9.614 453 HB3 HIS 55 1HB HIS 55 10.273 0.830 8.450 454 HD1 HIS 55 HD1 HIS 55 10.687 -1.424 9.417 455 HD2 HIS 55 HD2 HIS 55 12.005 1.609 11.939 456 HE1 HIS 55 HE1 HIS 55 11.472 -2.575 11.500 457 HE2 HIS 55 HE2 HIS 55 12.229 -0.727 13.028 458 H LYS 56 H LYS 56 11.754 -0.006 6.991 459 HA LYS 56 HA LYS 56 14.293 -1.246 7.827 460 HB2 LYS 56 2HB LYS 56 12.304 -2.494 8.397 461 HB3 LYS 56 1HB LYS 56 11.730 -2.422 6.746 462 HG2 LYS 56 2HG LYS 56 14.342 -3.755 7.254 463 HG3 LYS 56 1HG LYS 56 12.870 -4.588 7.750 464 HD2 LYS 56 2HD LYS 56 12.010 -4.234 5.397 465 HD3 LYS 56 1HD LYS 56 13.628 -3.672 4.971 466 HE2 LYS 56 2HE LYS 56 13.390 -6.009 4.382 467 HE3 LYS 56 1HE LYS 56 14.545 -5.848 5.704 468 HZ1 LYS 56 3HZ LYS 56 12.761 -6.462 7.247 469 HZ2 LYS 56 1HZ LYS 56 13.058 -7.676 6.113 470 HZ3 LYS 56 2HZ LYS 56 11.702 -6.680 5.950 471 H TYR 57 H TYR 57 15.927 -1.199 6.433 472 HA TYR 57 HA TYR 57 17.155 -1.051 4.532 473 HB2 TYR 57 2HB TYR 57 15.024 -3.041 3.804 474 HB3 TYR 57 1HB TYR 57 16.243 -2.579 2.619 475 HD1 TYR 57 HD2 TYR 57 15.962 -3.810 6.153 476 HD2 TYR 57 HD1 TYR 57 18.264 -3.738 2.567 477 HE1 TYR 57 HE2 TYR 57 17.550 -5.408 7.140 478 HE2 TYR 57 HE1 TYR 57 19.854 -5.331 3.551 479 HH TYR 57 HH TYR 57 20.586 -6.137 5.663 480 H GLN 58 H GLN 58 15.778 1.201 4.785 481 HA GLN 58 HA GLN 58 14.601 1.804 2.151 482 HB2 GLN 58 2HB GLN 58 14.427 3.256 4.798 483 HB3 GLN 58 1HB GLN 58 13.728 3.855 3.297 484 HG2 GLN 58 2HG GLN 58 13.013 1.208 4.558 485 HG3 GLN 58 1HG GLN 58 12.113 2.704 4.802 486 HE21 GLN 58 1HE2 GLN 58 12.979 0.231 2.495 487 HE22 GLN 58 2HE2 GLN 58 11.766 0.625 1.334 488 H ASN 59 H ASN 59 17.566 1.805 3.280 489 HA ASN 59 HA ASN 59 18.432 4.474 2.584 490 HB2 ASN 59 2HB ASN 59 19.634 3.208 4.295 491 HB3 ASN 59 1HB ASN 59 20.003 1.942 3.130 492 HD21 ASN 59 1HD2 ASN 59 20.699 5.208 4.117 493 HD22 ASN 59 2HD2 ASN 59 22.171 5.357 3.226 494 H GLU 60 H GLU 60 18.526 1.262 1.081 495 HA GLU 60 HA GLU 60 20.027 2.194 -1.212 496 HB2 GLU 60 2HB GLU 60 20.217 -0.109 -0.135 497 HB3 GLU 60 1HB GLU 60 18.673 -0.489 -0.883 498 HG2 GLU 60 2HG GLU 60 20.266 -1.377 -2.337 499 HG3 GLU 60 1HG GLU 60 19.775 0.133 -3.100 500 H LEU 61 H LEU 61 16.666 1.650 -0.422 501 HA LEU 61 HA LEU 61 15.913 2.611 -3.094 502 HB2 LEU 61 2HB LEU 61 13.986 1.060 -3.149 503 HB3 LEU 61 1HB LEU 61 15.533 0.244 -3.237 504 HG LEU 61 HG LEU 61 13.990 0.469 -0.649 505 HD11 LEU 61 1HD1 LEU 61 13.110 -1.767 -1.074 506 HD12 LEU 61 2HD1 LEU 61 13.845 -1.767 -2.677 507 HD13 LEU 61 3HD1 LEU 61 12.550 -0.629 -2.299 508 HD21 LEU 61 3HD2 LEU 61 15.328 -1.499 -0.030 509 HD22 LEU 61 1HD2 LEU 61 16.350 -0.120 -0.430 510 HD23 LEU 61 2HD2 LEU 61 16.146 -1.431 -1.591 511 H ASP 62 H ASP 62 14.186 4.004 -3.167 512 HA ASP 62 HA ASP 62 13.156 4.934 -0.564 513 HB2 ASP 62 2HB ASP 62 14.374 6.538 -2.069 514 HB3 ASP 62 1HB ASP 62 13.073 6.354 -3.238 515 H ILE 63 H ILE 63 11.014 4.841 -0.078 516 HA ILE 63 HA ILE 63 9.227 3.627 -2.087 517 HB ILE 63 HB ILE 63 9.246 3.462 0.922 518 HG12 ILE 63 2HG1 ILE 63 9.365 1.386 -1.283 519 HG13 ILE 63 1HG1 ILE 63 10.694 1.882 -0.240 520 HG21 ILE 63 1HG2 ILE 63 6.933 3.824 0.324 521 HG22 ILE 63 2HG2 ILE 63 7.158 2.131 0.762 522 HG23 ILE 63 3HG2 ILE 63 7.028 2.593 -0.935 523 HD11 ILE 63 3HD1 ILE 63 9.826 -0.243 0.472 524 HD12 ILE 63 1HD1 ILE 63 8.199 0.423 0.598 525 HD13 ILE 63 2HD1 ILE 63 9.466 0.976 1.695 526 H LYS 64 H LYS 64 7.637 4.818 -2.897 527 HA LYS 64 HA LYS 64 6.114 6.592 -1.119 528 HB2 LYS 64 2HB LYS 64 7.191 7.357 -3.841 529 HB3 LYS 64 1HB LYS 64 5.848 8.202 -3.080 530 HG2 LYS 64 2HG LYS 64 7.307 8.788 -1.185 531 HG3 LYS 64 1HG LYS 64 8.650 7.965 -1.980 532 HD2 LYS 64 2HD LYS 64 8.736 10.397 -2.323 533 HD3 LYS 64 1HD LYS 64 8.533 9.531 -3.846 534 HE2 LYS 64 2HE LYS 64 6.118 10.015 -3.783 535 HE3 LYS 64 1HE LYS 64 6.343 10.893 -2.270 536 HZ1 LYS 64 3HZ LYS 64 7.638 11.617 -4.840 537 HZ2 LYS 64 1HZ LYS 64 7.700 12.493 -3.395 538 HZ3 LYS 64 2HZ LYS 64 6.239 12.345 -4.234 539 H ILE 65 H ILE 65 3.907 6.535 -1.457 540 HA ILE 65 HA ILE 65 2.949 4.469 -3.302 541 HB ILE 65 HB ILE 65 1.495 5.932 -1.081 542 HG12 ILE 65 2HG1 ILE 65 2.533 3.086 -1.256 543 HG13 ILE 65 1HG1 ILE 65 3.228 4.375 -0.281 544 HG21 ILE 65 1HG2 ILE 65 -0.293 4.247 -1.421 545 HG22 ILE 65 2HG2 ILE 65 0.557 3.667 -2.854 546 HG23 ILE 65 3HG2 ILE 65 -0.084 5.310 -2.813 547 HD11 ILE 65 3HD1 ILE 65 1.182 4.469 1.047 548 HD12 ILE 65 1HD1 ILE 65 1.910 2.862 1.074 549 HD13 ILE 65 2HD1 ILE 65 0.492 3.171 0.072 550 H ILE 66 H ILE 66 1.881 4.908 -5.136 551 HA ILE 66 HA ILE 66 1.299 7.689 -5.824 552 HB ILE 66 HB ILE 66 1.138 5.208 -7.557 553 HG12 ILE 66 2HG1 ILE 66 3.333 7.297 -7.329 554 HG13 ILE 66 1HG1 ILE 66 3.434 5.638 -6.750 555 HG21 ILE 66 1HG2 ILE 66 -0.259 7.033 -8.385 556 HG22 ILE 66 2HG2 ILE 66 1.134 6.788 -9.437 557 HG23 ILE 66 3HG2 ILE 66 1.113 8.140 -8.304 558 HD11 ILE 66 3HD1 ILE 66 4.618 5.862 -8.828 559 HD12 ILE 66 1HD1 ILE 66 3.187 6.523 -9.616 560 HD13 ILE 66 2HD1 ILE 66 3.197 4.845 -9.070 561 H ASN 67 H ASN 67 -0.447 4.562 -6.149 562 HA ASN 67 HA ASN 67 -2.900 5.821 -5.210 563 HB2 ASN 67 2HB ASN 67 -4.219 5.085 -7.170 564 HB3 ASN 67 1HB ASN 67 -3.005 6.283 -7.596 565 HD21 ASN 67 1HD2 ASN 67 -1.243 5.660 -8.848 566 HD22 ASN 67 2HD2 ASN 67 -1.197 4.158 -9.698 567 H PHE 68 H PHE 68 -4.779 4.036 -5.462 568 HA PHE 68 HA PHE 68 -3.681 1.546 -4.304 569 HB2 PHE 68 2HB PHE 68 -6.280 2.919 -3.560 570 HB3 PHE 68 1HB PHE 68 -5.613 1.474 -2.812 571 HD1 PHE 68 HD1 PHE 68 -5.105 5.109 -3.264 572 HD2 PHE 68 HD2 PHE 68 -4.007 1.629 -1.068 573 HE1 PHE 68 HE1 PHE 68 -3.931 6.518 -1.629 574 HE2 PHE 68 HE2 PHE 68 -2.828 3.038 0.571 575 HZ PHE 68 HZ PHE 68 -2.789 5.487 0.291 576 H LEU 69 H LEU 69 -4.269 -0.301 -5.305 577 HA LEU 69 HA LEU 69 -6.537 -0.221 -7.205 578 HB2 LEU 69 2HB LEU 69 -4.124 -2.048 -7.276 579 HB3 LEU 69 1HB LEU 69 -5.427 -2.018 -8.446 580 HG LEU 69 HG LEU 69 -4.715 0.404 -8.935 581 HD11 LEU 69 1HD1 LEU 69 -2.235 -0.528 -7.482 582 HD12 LEU 69 2HD1 LEU 69 -3.318 0.769 -6.976 583 HD13 LEU 69 3HD1 LEU 69 -2.369 0.940 -8.451 584 HD21 LEU 69 3HD2 LEU 69 -4.325 -1.437 -10.481 585 HD22 LEU 69 1HD2 LEU 69 -2.848 -1.871 -9.620 586 HD23 LEU 69 2HD2 LEU 69 -2.952 -0.331 -10.475 587 H TYR 70 H TYR 70 -8.123 -1.784 -7.102 588 HA TYR 70 HA TYR 70 -8.311 -3.372 -4.719 589 HB2 TYR 70 2HB TYR 70 -10.047 -3.417 -7.205 590 HB3 TYR 70 1HB TYR 70 -10.436 -4.194 -5.673 591 HD1 TYR 70 HD1 TYR 70 -9.574 -2.044 -3.771 592 HD2 TYR 70 HD2 TYR 70 -11.768 -1.824 -7.419 593 HE1 TYR 70 HE1 TYR 70 -10.652 0.025 -2.996 594 HE2 TYR 70 HE2 TYR 70 -12.847 0.242 -6.649 595 HH TYR 70 HH TYR 70 -11.726 2.044 -4.072 596 HA PRO 71 HA PRO 71 -5.917 -6.896 -5.717 597 HB2 PRO 71 2HB PRO 71 -7.706 -8.845 -4.707 598 HB3 PRO 71 1HB PRO 71 -6.394 -8.054 -3.832 599 HG2 PRO 71 2HG PRO 71 -9.302 -7.400 -3.883 600 HG3 PRO 71 1HG PRO 71 -8.141 -7.278 -2.547 601 HD2 PRO 71 2HD PRO 71 -8.966 -5.091 -3.827 602 HD3 PRO 71 1HD PRO 71 -7.266 -5.256 -3.330 603 H ASP 72 H ASP 72 -9.371 -7.715 -6.232 604 HA ASP 72 HA ASP 72 -8.620 -9.084 -8.730 605 HB2 ASP 72 2HB ASP 72 -11.207 -9.238 -7.162 606 HB3 ASP 72 1HB ASP 72 -10.769 -10.230 -8.550 607 H GLY 73 H GLY 73 -9.294 -6.064 -8.129 608 HA2 GLY 73 2HA GLY 73 -10.026 -4.388 -9.580 609 HA3 GLY 73 1HA GLY 73 -10.737 -5.616 -10.612 610 H ASP 74 H ASP 74 -12.551 -6.877 -9.114 611 HA ASP 74 HA ASP 74 -14.682 -5.036 -8.821 612 HB2 ASP 74 2HB ASP 74 -14.475 -7.880 -7.806 613 HB3 ASP 74 1HB ASP 74 -15.964 -6.957 -7.984 614 H PHE 75 H PHE 75 -15.396 -3.884 -7.109 615 HA PHE 75 HA PHE 75 -13.819 -3.489 -4.836 616 HB2 PHE 75 2HB PHE 75 -15.749 -2.173 -3.960 617 HB3 PHE 75 1HB PHE 75 -15.314 -1.759 -5.613 618 HD1 PHE 75 HD1 PHE 75 -16.750 -2.515 -7.499 619 HD2 PHE 75 HD2 PHE 75 -17.892 -3.067 -3.432 620 HE1 PHE 75 HE1 PHE 75 -19.073 -2.907 -8.206 621 HE2 PHE 75 HE2 PHE 75 -20.205 -3.462 -4.140 622 HZ PHE 75 HZ PHE 75 -20.807 -3.384 -6.523 623 H GLY 76 H GLY 76 -16.881 -5.329 -5.124 624 HA2 GLY 76 2HA GLY 76 -17.011 -6.185 -2.433 625 HA3 GLY 76 1HA GLY 76 -17.784 -6.981 -3.798 626 H SER 77 H SER 77 -15.486 -7.612 -5.276 627 HA SER 77 HA SER 77 -14.618 -10.016 -4.098 628 HB2 SER 77 2HB SER 77 -14.630 -9.579 -6.550 629 HB3 SER 77 1HB SER 77 -13.263 -8.484 -6.335 630 HG SER 77 HG SER 77 -12.860 -10.795 -6.938 631 H ALA 78 H ALA 78 -13.337 -6.773 -3.928 632 HA ALA 78 HA ALA 78 -10.839 -7.454 -2.716 633 HB1 ALA 78 3HB ALA 78 -11.193 -5.267 -3.741 634 HB2 ALA 78 1HB ALA 78 -10.768 -5.087 -2.039 635 HB3 ALA 78 2HB ALA 78 -12.444 -4.895 -2.555 636 H ASN 79 H ASN 79 -13.979 -6.411 -1.419 637 HA ASN 79 HA ASN 79 -13.418 -6.505 1.308 638 HB2 ASN 79 2HB ASN 79 -16.014 -7.044 -0.155 639 HB3 ASN 79 1HB ASN 79 -15.893 -6.795 1.584 640 HD21 ASN 79 1HD2 ASN 79 -17.304 -5.007 1.314 641 HD22 ASN 79 2HD2 ASN 79 -16.698 -3.490 0.757 642 H LYS 80 H LYS 80 -14.295 -9.133 -0.889 643 HA LYS 80 HA LYS 80 -14.853 -11.080 1.092 644 HB2 LYS 80 2HB LYS 80 -15.030 -12.619 -0.637 645 HB3 LYS 80 1HB LYS 80 -15.318 -11.110 -1.492 646 HG2 LYS 80 2HG LYS 80 -12.901 -11.106 -2.137 647 HG3 LYS 80 1HG LYS 80 -12.767 -12.714 -1.428 648 HD2 LYS 80 2HD LYS 80 -14.569 -13.472 -2.999 649 HD3 LYS 80 1HD LYS 80 -14.490 -11.886 -3.771 650 HE2 LYS 80 2HE LYS 80 -12.310 -13.971 -3.618 651 HE3 LYS 80 1HE LYS 80 -13.155 -13.404 -5.057 652 HZ1 LYS 80 3HZ LYS 80 -11.350 -11.767 -3.360 653 HZ2 LYS 80 1HZ LYS 80 -12.139 -11.236 -4.757 654 HZ3 LYS 80 2HZ LYS 80 -10.951 -12.428 -4.863 655 H ASN 81 H ASN 81 -11.861 -9.832 -0.140 656 HA ASN 81 HA ASN 81 -10.301 -12.088 0.905 657 HB2 ASN 81 2HB ASN 81 -9.382 -9.621 -0.599 658 HB3 ASN 81 1HB ASN 81 -8.361 -10.976 -0.141 659 HD21 ASN 81 1HD2 ASN 81 -8.844 -9.921 -2.750 660 HD22 ASN 81 2HD2 ASN 81 -9.501 -11.205 -3.694 661 H GLY 82 H GLY 82 -10.659 -8.573 1.369 662 HA2 GLY 82 2HA GLY 82 -9.984 -7.239 3.158 663 HA3 GLY 82 1HA GLY 82 -9.356 -8.673 3.961 664 H THR 83 H THR 83 -8.541 -7.769 0.689 665 HA THR 83 HA THR 83 -5.782 -7.121 1.522 666 HB THR 83 HB THR 83 -4.950 -8.212 -0.521 667 HG1 THR 83 HG1 THR 83 -6.363 -9.428 -1.815 668 HG21 THR 83 3HG2 THR 83 -5.349 -10.548 0.104 669 HG22 THR 83 1HG2 THR 83 -6.701 -10.050 1.121 670 HG23 THR 83 2HG2 THR 83 -5.060 -9.552 1.528 671 H LEU 84 H LEU 84 -4.611 -5.681 0.141 672 HA LEU 84 HA LEU 84 -6.135 -4.246 -1.924 673 HB2 LEU 84 2HB LEU 84 -6.426 -2.969 0.157 674 HB3 LEU 84 1HB LEU 84 -4.688 -2.907 0.377 675 HG LEU 84 HG LEU 84 -4.479 -1.536 -1.667 676 HD11 LEU 84 1HD1 LEU 84 -6.405 -2.318 -2.905 677 HD12 LEU 84 2HD1 LEU 84 -6.502 -0.570 -2.686 678 HD13 LEU 84 3HD1 LEU 84 -7.493 -1.640 -1.696 679 HD21 LEU 84 3HD2 LEU 84 -5.453 0.516 -0.756 680 HD22 LEU 84 1HD2 LEU 84 -4.668 -0.442 0.499 681 HD23 LEU 84 2HD2 LEU 84 -6.427 -0.441 0.363 682 H LYS 85 H LYS 85 -4.858 -3.397 -3.595 683 HA LYS 85 HA LYS 85 -2.045 -4.245 -3.553 684 HB2 LYS 85 2HB LYS 85 -3.828 -3.461 -5.874 685 HB3 LYS 85 1HB LYS 85 -2.128 -3.894 -6.026 686 HG2 LYS 85 2HG LYS 85 -2.692 -6.104 -4.987 687 HG3 LYS 85 1HG LYS 85 -4.392 -5.659 -5.110 688 HD2 LYS 85 2HD LYS 85 -4.228 -5.542 -7.522 689 HD3 LYS 85 1HD LYS 85 -2.484 -5.819 -7.452 690 HE2 LYS 85 2HE LYS 85 -2.884 -8.030 -6.460 691 HE3 LYS 85 1HE LYS 85 -4.620 -7.756 -6.544 692 HZ1 LYS 85 3HZ LYS 85 -2.749 -7.990 -8.839 693 HZ2 LYS 85 1HZ LYS 85 -4.394 -7.605 -8.976 694 HZ3 LYS 85 2HZ LYS 85 -3.924 -9.109 -8.367 695 H LEU 86 H LEU 86 -0.713 -2.761 -2.827 696 HA LEU 86 HA LEU 86 -1.217 0.076 -3.165 697 HB2 LEU 86 2HB LEU 86 1.030 -1.425 -1.797 698 HB3 LEU 86 1HB LEU 86 0.893 0.320 -1.830 699 HG LEU 86 HG LEU 86 0.140 -0.453 0.309 700 HD11 LEU 86 1HD1 LEU 86 -2.226 0.311 -1.397 701 HD12 LEU 86 2HD1 LEU 86 -1.097 1.415 -0.612 702 HD13 LEU 86 3HD1 LEU 86 -2.155 0.398 0.364 703 HD21 LEU 86 3HD2 LEU 86 -0.371 -2.767 -0.266 704 HD22 LEU 86 1HD2 LEU 86 -1.799 -2.243 -1.159 705 HD23 LEU 86 2HD2 LEU 86 -1.718 -2.016 0.588 706 H SER 87 H SER 87 -0.442 1.252 -4.822 707 HA SER 87 HA SER 87 1.586 0.121 -6.595 708 HB2 SER 87 2HB SER 87 -0.410 1.193 -7.584 709 HB3 SER 87 1HB SER 87 0.041 2.720 -6.830 710 HG SER 87 HG SER 87 1.423 1.299 -8.860 711 H LEU 88 H LEU 88 3.585 0.290 -5.702 712 HA LEU 88 HA LEU 88 4.415 2.869 -4.546 713 HB2 LEU 88 2HB LEU 88 5.443 0.063 -4.258 714 HB3 LEU 88 1HB LEU 88 6.479 1.423 -3.875 715 HG LEU 88 HG LEU 88 4.838 2.179 -2.181 716 HD11 LEU 88 1HD1 LEU 88 3.035 0.696 -1.489 717 HD12 LEU 88 2HD1 LEU 88 3.412 -0.400 -2.819 718 HD13 LEU 88 3HD1 LEU 88 2.820 1.227 -3.156 719 HD21 LEU 88 3HD2 LEU 88 5.312 0.427 -0.546 720 HD22 LEU 88 1HD2 LEU 88 6.728 0.772 -1.538 721 HD23 LEU 88 2HD2 LEU 88 5.769 -0.675 -1.846 722 H MET 89 H MET 89 5.914 4.132 -5.458 723 HA MET 89 HA MET 89 7.374 3.150 -7.811 724 HB2 MET 89 2HB MET 89 8.022 5.551 -8.111 725 HB3 MET 89 1HB MET 89 6.292 5.257 -8.201 726 HG2 MET 89 2HG MET 89 6.024 6.078 -5.920 727 HG3 MET 89 1HG MET 89 7.759 6.357 -5.807 728 HE1 MET 89 3HE MET 89 9.065 8.189 -7.246 729 HE2 MET 89 1HE MET 89 8.290 9.189 -8.473 730 HE3 MET 89 2HE MET 89 8.436 7.447 -8.717 731 H LEU 90 H LEU 90 9.150 2.070 -7.230 732 HA LEU 90 HA LEU 90 10.655 2.776 -4.846 733 HB2 LEU 90 2HB LEU 90 11.120 0.585 -6.885 734 HB3 LEU 90 1HB LEU 90 12.016 0.782 -5.393 735 HG LEU 90 HG LEU 90 10.473 -0.964 -5.008 736 HD11 LEU 90 1HD1 LEU 90 10.660 0.590 -3.158 737 HD12 LEU 90 2HD1 LEU 90 9.039 -0.095 -3.229 738 HD13 LEU 90 3HD1 LEU 90 9.323 1.549 -3.800 739 HD21 LEU 90 3HD2 LEU 90 8.070 -0.805 -5.406 740 HD22 LEU 90 1HD2 LEU 90 8.980 -0.575 -6.900 741 HD23 LEU 90 2HD2 LEU 90 8.277 0.815 -6.072 742 H THR 91 H THR 91 11.931 4.543 -5.089 743 HA THR 91 HA THR 91 13.351 5.040 -7.569 744 HB THR 91 HB THR 91 13.459 6.533 -4.932 745 HG1 THR 91 HG1 THR 91 11.566 7.136 -5.752 746 HG21 THR 91 3HG2 THR 91 14.583 8.323 -6.206 747 HG22 THR 91 1HG2 THR 91 14.652 7.266 -7.616 748 HG23 THR 91 2HG2 THR 91 15.551 6.849 -6.157 749 H ASP 92 H ASP 92 15.155 4.050 -8.065 750 HA ASP 92 HA ASP 92 16.776 2.560 -6.285 751 HB2 ASP 92 2HB ASP 92 16.499 2.205 -8.779 752 HB3 ASP 92 1HB ASP 92 17.524 3.612 -9.033 753 H LYS 93 H LYS 93 17.875 3.572 -4.674 754 HA LYS 93 HA LYS 93 18.577 6.330 -4.775 755 HB2 LYS 93 2HB LYS 93 19.357 4.181 -2.795 756 HB3 LYS 93 1HB LYS 93 19.608 5.905 -2.556 757 HG2 LYS 93 2HG LYS 93 16.883 4.711 -3.026 758 HG3 LYS 93 1HG LYS 93 17.590 4.878 -1.419 759 HD2 LYS 93 2HD LYS 93 17.175 7.170 -3.345 760 HD3 LYS 93 1HD LYS 93 16.048 6.736 -2.056 761 HE2 LYS 93 2HE LYS 93 18.920 7.617 -1.727 762 HE3 LYS 93 1HE LYS 93 17.479 8.547 -1.317 763 HZ1 LYS 93 3HZ LYS 93 18.463 7.534 0.638 764 HZ2 LYS 93 1HZ LYS 93 18.308 5.993 -0.040 765 HZ3 LYS 93 2HZ LYS 93 16.928 6.887 0.354 766 H LYS 94 H LYS 94 20.389 3.419 -5.500 767 HA LYS 94 HA LYS 94 22.951 4.773 -5.206 768 HB2 LYS 94 2HB LYS 94 23.972 2.638 -5.611 769 HB3 LYS 94 1HB LYS 94 22.650 2.424 -4.474 770 HG2 LYS 94 2HG LYS 94 21.247 1.706 -6.472 771 HG3 LYS 94 1HG LYS 94 22.758 1.631 -7.374 772 HD2 LYS 94 2HD LYS 94 21.911 -0.021 -4.997 773 HD3 LYS 94 1HD LYS 94 22.330 -0.576 -6.615 774 HE2 LYS 94 2HE LYS 94 24.231 -1.130 -5.427 775 HE3 LYS 94 1HE LYS 94 24.673 0.454 -6.058 776 HZ1 LYS 94 3HZ LYS 94 23.814 -0.248 -3.315 777 HZ2 LYS 94 1HZ LYS 94 23.811 1.347 -3.864 778 HZ3 LYS 94 2HZ LYS 94 25.258 0.480 -3.804 779 H ASN 95 H ASN 95 20.920 3.576 -7.841 780 HA ASN 95 HA ASN 95 22.824 4.553 -9.845 781 HB2 ASN 95 2HB ASN 95 20.197 3.073 -10.157 782 HB3 ASN 95 1HB ASN 95 21.220 3.580 -11.498 783 HD21 ASN 95 1HD2 ASN 95 20.775 1.298 -8.953 784 HD22 ASN 95 2HD2 ASN 95 22.089 0.260 -9.391 785 H ASN 96 H ASN 96 20.009 5.585 -8.201 786 HA ASN 96 HA ASN 96 18.831 7.529 -8.229 787 HB2 ASN 96 2HB ASN 96 20.826 8.302 -10.365 788 HB3 ASN 96 1HB ASN 96 19.542 9.380 -9.831 789 HD21 ASN 96 1HD2 ASN 96 21.243 7.180 -7.687 790 HD22 ASN 96 2HD2 ASN 96 22.054 8.407 -6.790 791 H GLN 97 H GLN 97 18.317 5.151 -9.992 792 HA GLN 97 HA GLN 97 16.627 6.338 -12.086 793 HB2 GLN 97 2HB GLN 97 17.342 3.442 -11.540 794 HB3 GLN 97 1HB GLN 97 16.348 4.002 -12.879 795 HG2 GLN 97 2HG GLN 97 19.250 4.693 -12.421 796 HG3 GLN 97 1HG GLN 97 18.635 3.518 -13.583 797 HE21 GLN 97 1HE2 GLN 97 20.240 5.894 -14.059 798 HE22 GLN 97 2HE2 GLN 97 19.328 6.877 -15.146 799 H VAL 98 H VAL 98 14.519 4.655 -12.339 800 HA VAL 98 HA VAL 98 13.276 4.457 -9.674 801 HB VAL 98 HB VAL 98 12.572 6.606 -10.677 802 HG11 VAL 98 1HG1 VAL 98 11.289 4.901 -12.818 803 HG12 VAL 98 2HG1 VAL 98 12.655 5.995 -13.039 804 HG13 VAL 98 3HG1 VAL 98 11.070 6.641 -12.615 805 HG21 VAL 98 3HG2 VAL 98 10.157 6.323 -10.321 806 HG22 VAL 98 1HG2 VAL 98 11.097 5.468 -9.097 807 HG23 VAL 98 2HG2 VAL 98 10.346 4.571 -10.418 808 H TYR 99 H TYR 99 11.759 2.886 -9.390 809 HA TYR 99 HA TYR 99 11.061 1.130 -11.652 810 HB2 TYR 99 2HB TYR 99 12.895 0.056 -10.421 811 HB3 TYR 99 1HB TYR 99 12.021 0.248 -8.908 812 HD1 TYR 99 HD2 TYR 99 11.875 -1.446 -12.217 813 HD2 TYR 99 HD1 TYR 99 10.522 -1.421 -8.176 814 HE1 TYR 99 HE2 TYR 99 10.829 -3.643 -12.557 815 HE2 TYR 99 HE1 TYR 99 9.473 -3.620 -8.509 816 HH TYR 99 HH TYR 99 8.611 -4.982 -10.350 817 H TYR 100 H TYR 100 9.052 -0.128 -11.272 818 HA TYR 100 HA TYR 100 7.336 1.023 -9.155 819 HB2 TYR 100 2HB TYR 100 6.450 0.373 -11.979 820 HB3 TYR 100 1HB TYR 100 5.453 1.068 -10.705 821 HD1 TYR 100 HD2 TYR 100 5.916 3.405 -9.914 822 HD2 TYR 100 HD1 TYR 100 7.878 1.740 -13.311 823 HE1 TYR 100 HE2 TYR 100 6.572 5.662 -10.636 824 HE2 TYR 100 HE1 TYR 100 8.539 3.992 -14.037 825 HH TYR 100 HH TYR 100 7.809 6.312 -13.733 826 H LYS 101 H LYS 101 6.049 -0.395 -8.037 827 HA LYS 101 HA LYS 101 5.827 -3.172 -8.983 828 HB2 LYS 101 2HB LYS 101 7.778 -3.186 -7.526 829 HB3 LYS 101 1HB LYS 101 6.884 -2.349 -6.264 830 HG2 LYS 101 2HG LYS 101 7.021 -4.642 -5.644 831 HG3 LYS 101 1HG LYS 101 5.355 -4.329 -6.132 832 HD2 LYS 101 2HD LYS 101 6.176 -5.168 -8.472 833 HD3 LYS 101 1HD LYS 101 7.493 -5.888 -7.544 834 HE2 LYS 101 2HE LYS 101 4.544 -6.372 -7.104 835 HE3 LYS 101 1HE LYS 101 5.662 -7.480 -7.894 836 HZ1 LYS 101 3HZ LYS 101 6.830 -7.783 -5.864 837 HZ2 LYS 101 1HZ LYS 101 5.186 -8.011 -5.540 838 HZ3 LYS 101 2HZ LYS 101 5.946 -6.570 -5.086 839 H LEU 102 H LEU 102 3.892 -4.107 -8.573 840 HA LEU 102 HA LEU 102 1.930 -2.662 -6.940 841 HB2 LEU 102 2HB LEU 102 1.678 -4.950 -8.895 842 HB3 LEU 102 1HB LEU 102 0.352 -4.447 -7.870 843 HG LEU 102 HG LEU 102 0.051 -3.494 -10.061 844 HD11 LEU 102 1HD1 LEU 102 -0.070 -1.108 -9.520 845 HD12 LEU 102 2HD1 LEU 102 0.948 -1.377 -8.105 846 HD13 LEU 102 3HD1 LEU 102 -0.654 -2.112 -8.193 847 HD21 LEU 102 3HD2 LEU 102 1.660 -1.948 -11.063 848 HD22 LEU 102 1HD2 LEU 102 2.359 -3.551 -10.846 849 HD23 LEU 102 2HD2 LEU 102 2.784 -2.246 -9.737 850 H LEU 103 H LEU 103 1.661 -3.219 -4.859 851 HA LEU 103 HA LEU 103 2.528 -5.909 -3.992 852 HB2 LEU 103 2HB LEU 103 2.339 -3.323 -2.444 853 HB3 LEU 103 1HB LEU 103 2.817 -4.866 -1.760 854 HG LEU 103 HG LEU 103 4.327 -3.463 -3.976 855 HD11 LEU 103 1HD1 LEU 103 4.911 -3.555 -1.016 856 HD12 LEU 103 2HD1 LEU 103 4.385 -2.139 -1.928 857 HD13 LEU 103 3HD1 LEU 103 5.957 -2.866 -2.258 858 HD21 LEU 103 3HD2 LEU 103 5.055 -5.816 -2.219 859 HD22 LEU 103 1HD2 LEU 103 6.107 -5.059 -3.415 860 HD23 LEU 103 2HD2 LEU 103 4.642 -5.890 -3.933 861 H GLU 104 H GLU 104 0.772 -7.213 -3.862 862 HA GLU 104 HA GLU 104 -1.731 -6.213 -2.757 863 HB2 GLU 104 2HB GLU 104 -2.563 -8.526 -3.223 864 HB3 GLU 104 1HB GLU 104 -1.955 -7.683 -4.637 865 HG2 GLU 104 2HG GLU 104 0.193 -8.940 -4.372 866 HG3 GLU 104 1HG GLU 104 -0.585 -9.878 -3.097 867 H VAL 105 H VAL 105 -1.903 -6.044 -0.610 868 HA VAL 105 HA VAL 105 -0.623 -8.101 1.092 869 HB VAL 105 HB VAL 105 -0.164 -6.415 2.776 870 HG11 VAL 105 1HG1 VAL 105 1.540 -6.804 1.074 871 HG12 VAL 105 2HG1 VAL 105 1.562 -5.124 1.612 872 HG13 VAL 105 3HG1 VAL 105 0.835 -5.544 0.059 873 HG21 VAL 105 3HG2 VAL 105 -1.392 -4.439 0.847 874 HG22 VAL 105 1HG2 VAL 105 -0.537 -4.016 2.332 875 HG23 VAL 105 2HG2 VAL 105 -2.046 -4.927 2.411 876 H SER 106 H SER 106 -1.716 -8.810 2.907 877 HA SER 106 HA SER 106 -4.599 -8.350 2.970 878 HB2 SER 106 2HB SER 106 -4.674 -10.231 4.521 879 HB3 SER 106 1HB SER 106 -3.674 -10.655 3.133 880 HG SER 106 HG SER 106 -2.987 -10.837 5.629 881 H GLY 107 H GLY 107 -5.747 -7.896 4.973 882 HA2 GLY 107 2HA GLY 107 -5.175 -7.443 7.462 883 HA3 GLY 107 1HA GLY 107 -4.219 -6.134 6.788 884 H PHE 108 H PHE 108 -6.561 -6.016 4.681 885 HA PHE 108 HA PHE 108 -7.867 -3.847 6.127 886 HB2 PHE 108 2HB PHE 108 -8.071 -4.638 3.206 887 HB3 PHE 108 1HB PHE 108 -8.732 -3.172 3.925 888 HD1 PHE 108 HD1 PHE 108 -5.454 -4.967 3.814 889 HD2 PHE 108 HD2 PHE 108 -7.506 -1.244 3.567 890 HE1 PHE 108 HE1 PHE 108 -3.321 -3.830 3.369 891 HE2 PHE 108 HE2 PHE 108 -5.370 -0.100 3.128 892 HZ PHE 108 HZ PHE 108 -3.276 -1.391 3.027 893 H LYS 109 H LYS 109 -8.967 -5.468 7.499 894 HA LYS 109 HA LYS 109 -10.893 -6.448 8.242 895 HB2 LYS 109 2HB LYS 109 -11.796 -4.444 6.689 896 HB3 LYS 109 1HB LYS 109 -12.426 -5.794 5.761 897 HG2 LYS 109 2HG LYS 109 -14.137 -5.030 7.242 898 HG3 LYS 109 1HG LYS 109 -13.579 -6.597 7.826 899 HD2 LYS 109 2HD LYS 109 -12.206 -5.497 9.523 900 HD3 LYS 109 1HD LYS 109 -12.691 -3.914 8.909 901 HE2 LYS 109 2HE LYS 109 -15.045 -4.467 9.466 902 HE3 LYS 109 1HE LYS 109 -14.495 -5.990 10.165 903 HZ1 LYS 109 3HZ LYS 109 -13.692 -3.281 11.088 904 HZ2 LYS 109 1HZ LYS 109 -13.195 -4.746 11.771 905 HZ3 LYS 109 2HZ LYS 109 -14.817 -4.284 11.854 906 H SER 110 H SER 110 -12.891 -7.970 6.995 907 HA SER 110 HA SER 110 -11.991 -9.639 4.897 908 HB2 SER 110 2HB SER 110 -11.626 -11.746 6.195 909 HB3 SER 110 1HB SER 110 -10.392 -10.525 6.499 910 HG SER 110 HG SER 110 -12.285 -11.601 8.203 911 H ASN 111 H ASN 111 -14.084 -9.423 4.109 912 HA ASN 111 HA ASN 111 -16.205 -10.773 5.671 913 HB2 ASN 111 2HB ASN 111 -16.425 -8.175 4.134 914 HB3 ASN 111 1HB ASN 111 -17.821 -9.095 4.680 915 HD21 ASN 111 1HD2 ASN 111 -18.572 -7.507 6.013 916 HD22 ASN 111 2HD2 ASN 111 -17.778 -7.054 7.479 917 HA PRO 112 HA PRO 112 -16.244 -12.523 1.364 918 HB2 PRO 112 2HB PRO 112 -15.877 -15.133 1.985 919 HB3 PRO 112 1HB PRO 112 -14.532 -14.009 1.766 920 HG2 PRO 112 2HG PRO 112 -15.713 -15.083 4.286 921 HG3 PRO 112 1HG PRO 112 -14.027 -14.687 3.914 922 HD2 PRO 112 2HD PRO 112 -15.787 -13.088 5.371 923 HD3 PRO 112 1HD PRO 112 -14.280 -12.535 4.619 924 H TYR 113 H TYR 113 -17.433 -14.846 3.811 925 HA TYR 113 HA TYR 113 -19.871 -15.367 2.516 926 HB2 TYR 113 2HB TYR 113 -20.509 -16.369 4.788 927 HB3 TYR 113 1HB TYR 113 -19.075 -17.019 4.002 928 HD1 TYR 113 HD2 TYR 113 -20.250 -14.815 6.738 929 HD2 TYR 113 HD1 TYR 113 -16.916 -16.820 5.002 930 HE1 TYR 113 HE2 TYR 113 -18.913 -14.320 8.739 931 HE2 TYR 113 HE1 TYR 113 -15.572 -16.325 6.998 932 HH TYR 113 HH TYR 113 -16.973 -15.030 9.889 933 H LEU 114 H LEU 114 -18.972 -12.822 4.699 934 HA LEU 114 HA LEU 114 -21.600 -12.104 5.553 935 HB2 LEU 114 2HB LEU 114 -19.041 -10.498 5.476 936 HB3 LEU 114 1HB LEU 114 -20.526 -9.951 6.235 937 HG LEU 114 HG LEU 114 -18.941 -12.391 7.072 938 HD11 LEU 114 1HD1 LEU 114 -17.753 -10.321 7.577 939 HD12 LEU 114 2HD1 LEU 114 -18.344 -11.090 9.050 940 HD13 LEU 114 3HD1 LEU 114 -19.183 -9.685 8.391 941 HD21 LEU 114 3HD2 LEU 114 -20.429 -12.429 9.015 942 HD22 LEU 114 1HD2 LEU 114 -21.331 -12.641 7.514 943 HD23 LEU 114 2HD2 LEU 114 -21.352 -11.084 8.344 944 H GLU 115 H GLU 115 -19.449 -10.841 3.002 945 HA GLU 115 HA GLU 115 -21.322 -8.902 2.068 946 HB2 GLU 115 2HB GLU 115 -18.771 -8.956 1.723 947 HB3 GLU 115 1HB GLU 115 -19.086 -10.102 0.429 948 HG2 GLU 115 2HG GLU 115 -18.846 -7.960 -0.560 949 HG3 GLU 115 1HG GLU 115 -20.557 -8.377 -0.636 950 H HIS 116 H HIS 116 -20.656 -12.256 1.294 951 HA HIS 116 HA HIS 116 -22.517 -12.317 -0.941 952 HB2 HIS 116 2HB HIS 116 -20.514 -13.651 -1.145 953 HB3 HIS 116 1HB HIS 116 -20.824 -14.444 0.393 954 HD1 HIS 116 HD1 HIS 116 -21.713 -16.722 0.148 955 HD2 HIS 116 HD2 HIS 116 -22.789 -14.320 -3.073 956 HE1 HIS 116 HE1 HIS 116 -22.974 -18.220 -1.419 957 HE2 HIS 116 HE2 HIS 116 -23.731 -16.724 -3.288 958 H HIS 117 H HIS 117 -24.452 -11.703 0.240 959 HA HIS 117 HA HIS 117 -25.485 -13.716 2.124 960 HB2 HIS 117 2HB HIS 117 -25.482 -11.328 2.841 961 HB3 HIS 117 1HB HIS 117 -26.586 -10.958 1.522 962 HD1 HIS 117 HD1 HIS 117 -26.473 -12.341 4.961 963 HD2 HIS 117 HD2 HIS 117 -29.228 -11.995 1.868 964 HE1 HIS 117 HE1 HIS 117 -28.707 -12.854 5.986 965 HE2 HIS 117 HE2 HIS 117 -30.341 -12.734 4.081 966 H HIS 118 H HIS 118 -26.285 -12.136 -0.953 967 HA HIS 118 HA HIS 118 -28.269 -14.266 -1.424 968 HB2 HIS 118 2HB HIS 118 -29.807 -12.671 -2.496 969 HB3 HIS 118 1HB HIS 118 -29.551 -12.288 -0.801 970 HD1 HIS 118 HD1 HIS 118 -29.877 -10.649 -3.896 971 HD2 HIS 118 HD2 HIS 118 -27.343 -10.170 -0.645 972 HE1 HIS 118 HE1 HIS 118 -28.984 -8.315 -4.082 973 HE2 HIS 118 HE2 HIS 118 -27.325 -8.109 -2.207 974 H HIS 119 H HIS 119 -28.491 -14.963 -3.564 975 HA HIS 119 HA HIS 119 -26.083 -14.589 -5.122 976 HB2 HIS 119 2HB HIS 119 -27.166 -16.828 -4.759 977 HB3 HIS 119 1HB HIS 119 -28.485 -16.303 -5.801 978 HD1 HIS 119 HD1 HIS 119 -28.112 -17.829 -7.779 979 HD2 HIS 119 HD2 HIS 119 -24.655 -15.825 -6.631 980 HE1 HIS 119 HE1 HIS 119 -26.423 -18.315 -9.571 981 HE2 HIS 119 HE2 HIS 119 -24.303 -17.224 -8.777 982 H HIS 120 H HIS 120 -29.575 -14.098 -5.751 983 HA HIS 120 HA HIS 120 -28.907 -12.573 -8.168 984 HB2 HIS 120 2HB HIS 120 -31.610 -13.396 -7.070 985 HB3 HIS 120 1HB HIS 120 -31.343 -12.563 -8.598 986 HD1 HIS 120 HD1 HIS 120 -29.184 -14.149 -9.920 987 HD2 HIS 120 HD2 HIS 120 -32.217 -15.948 -7.720 988 HE1 HIS 120 HE1 HIS 120 -29.314 -16.509 -10.761 989 HE2 HIS 120 HE2 HIS 120 -31.274 -17.517 -9.544 990 H HIS 121 H HIS 121 -29.286 -10.391 -8.412 991 HA HIS 121 HA HIS 121 -29.807 -8.922 -5.911 992 HB2 HIS 121 2HB HIS 121 -28.685 -6.991 -7.157 993 HB3 HIS 121 1HB HIS 121 -27.662 -8.348 -6.707 994 HD1 HIS 121 HD1 HIS 121 -29.343 -6.825 -9.726 995 HD2 HIS 121 HD2 HIS 121 -26.413 -9.624 -8.813 996 HE1 HIS 121 HE1 HIS 121 -28.244 -7.384 -11.908 997 HE2 HIS 121 HE2 HIS 121 -26.643 -9.241 -11.359 Start of MODEL 12 1 H1 MET 1 1H MET 1 26.771 -8.108 6.297 2 H2 MET 1 2H MET 1 26.754 -7.043 7.612 3 H3 MET 1 3H MET 1 25.389 -7.193 6.629 4 HA MET 1 HA MET 1 26.527 -9.332 8.330 5 HB2 MET 1 2HB MET 1 24.094 -7.579 8.720 6 HB3 MET 1 1HB MET 1 24.394 -9.045 9.644 7 HG2 MET 1 2HG MET 1 26.556 -8.024 10.397 8 HG3 MET 1 1HG MET 1 26.040 -6.524 9.623 9 HE1 MET 1 3HE MET 1 26.394 -5.302 12.025 10 HE2 MET 1 1HE MET 1 26.865 -6.856 12.711 11 HE3 MET 1 2HE MET 1 25.632 -5.878 13.507 12 H LEU 2 H LEU 2 23.604 -8.345 6.497 13 HA LEU 2 HA LEU 2 22.790 -11.115 6.211 14 HB2 LEU 2 2HB LEU 2 21.614 -8.542 5.145 15 HB3 LEU 2 1HB LEU 2 20.928 -10.122 4.825 16 HG LEU 2 HG LEU 2 19.650 -9.129 6.575 17 HD11 LEU 2 1HD1 LEU 2 21.531 -11.158 7.782 18 HD12 LEU 2 2HD1 LEU 2 20.080 -11.510 6.844 19 HD13 LEU 2 3HD1 LEU 2 19.944 -10.716 8.414 20 HD21 LEU 2 3HD2 LEU 2 22.223 -8.690 8.090 21 HD22 LEU 2 1HD2 LEU 2 20.597 -8.326 8.668 22 HD23 LEU 2 2HD2 LEU 2 21.266 -7.438 7.298 23 H SER 3 H SER 3 21.920 -11.621 3.831 24 HA SER 3 HA SER 3 24.273 -11.717 2.157 25 HB2 SER 3 2HB SER 3 21.469 -12.758 1.665 26 HB3 SER 3 1HB SER 3 22.869 -13.096 0.648 27 HG SER 3 HG SER 3 23.842 -14.144 2.427 28 H GLN 4 H GLN 4 24.786 -10.380 0.552 29 HA GLN 4 HA GLN 4 22.779 -8.424 -0.348 30 HB2 GLN 4 2HB GLN 4 24.713 -6.981 -0.973 31 HB3 GLN 4 1HB GLN 4 24.597 -7.318 0.744 32 HG2 GLN 4 2HG GLN 4 26.440 -8.877 -1.053 33 HG3 GLN 4 1HG GLN 4 26.913 -7.343 -0.330 34 HE21 GLN 4 1HE2 GLN 4 26.410 -10.709 0.214 35 HE22 GLN 4 2HE2 GLN 4 26.921 -10.728 1.867 36 H ALA 5 H ALA 5 22.681 -10.902 -1.553 37 HA ALA 5 HA ALA 5 24.079 -10.818 -4.087 38 HB1 ALA 5 3HB ALA 5 21.810 -12.609 -3.202 39 HB2 ALA 5 1HB ALA 5 23.528 -12.960 -3.013 40 HB3 ALA 5 2HB ALA 5 22.827 -12.836 -4.627 41 H ASN 6 H ASN 6 22.935 -10.768 -6.180 42 HA ASN 6 HA ASN 6 21.414 -8.447 -6.478 43 HB2 ASN 6 2HB ASN 6 21.832 -10.798 -8.323 44 HB3 ASN 6 1HB ASN 6 20.895 -9.388 -8.803 45 HD21 ASN 6 1HD2 ASN 6 23.749 -9.236 -6.755 46 HD22 ASN 6 2HD2 ASN 6 24.749 -8.439 -7.909 47 H GLU 7 H GLU 7 20.360 -11.748 -5.954 48 HA GLU 7 HA GLU 7 17.607 -11.331 -6.590 49 HB2 GLU 7 2HB GLU 7 17.196 -13.470 -5.507 50 HB3 GLU 7 1HB GLU 7 18.613 -13.584 -6.541 51 HG2 GLU 7 2HG GLU 7 20.084 -13.684 -4.729 52 HG3 GLU 7 1HG GLU 7 18.893 -13.035 -3.604 53 H ASP 8 H ASP 8 19.519 -10.854 -3.671 54 HA ASP 8 HA ASP 8 17.275 -10.702 -1.910 55 HB2 ASP 8 2HB ASP 8 20.144 -9.812 -1.590 56 HB3 ASP 8 1HB ASP 8 18.939 -9.712 -0.305 57 H PHE 9 H PHE 9 19.135 -8.285 -3.717 58 HA PHE 9 HA PHE 9 17.939 -5.990 -2.650 59 HB2 PHE 9 2HB PHE 9 18.968 -6.507 -5.451 60 HB3 PHE 9 1HB PHE 9 18.505 -4.916 -4.850 61 HD1 PHE 9 HD1 PHE 9 19.717 -4.053 -2.753 62 HD2 PHE 9 HD2 PHE 9 21.139 -7.297 -5.121 63 HE1 PHE 9 HE1 PHE 9 21.972 -3.745 -1.820 64 HE2 PHE 9 HE2 PHE 9 23.393 -6.992 -4.188 65 HZ PHE 9 HZ PHE 9 23.813 -5.215 -2.538 66 H LYS 10 H LYS 10 16.898 -7.920 -5.503 67 HA LYS 10 HA LYS 10 14.474 -6.480 -5.878 68 HB2 LYS 10 2HB LYS 10 13.788 -8.223 -7.375 69 HB3 LYS 10 1HB LYS 10 15.512 -7.981 -7.610 70 HG2 LYS 10 2HG LYS 10 16.055 -9.988 -6.500 71 HG3 LYS 10 1HG LYS 10 14.432 -10.154 -5.833 72 HD2 LYS 10 2HD LYS 10 14.763 -11.726 -7.662 73 HD3 LYS 10 1HD LYS 10 13.546 -10.527 -8.099 74 HE2 LYS 10 2HE LYS 10 15.203 -9.309 -9.410 75 HE3 LYS 10 1HE LYS 10 16.446 -10.465 -8.935 76 HZ1 LYS 10 3HZ LYS 10 14.017 -11.099 -10.518 77 HZ2 LYS 10 1HZ LYS 10 15.216 -12.204 -10.072 78 HZ3 LYS 10 2HZ LYS 10 15.581 -10.945 -11.139 79 H LYS 11 H LYS 11 15.344 -9.264 -3.908 80 HA LYS 11 HA LYS 11 12.827 -10.199 -3.168 81 HB2 LYS 11 2HB LYS 11 14.956 -11.354 -2.660 82 HB3 LYS 11 1HB LYS 11 15.339 -10.116 -1.472 83 HG2 LYS 11 2HG LYS 11 13.357 -10.771 -0.172 84 HG3 LYS 11 1HG LYS 11 13.016 -12.036 -1.351 85 HD2 LYS 11 2HD LYS 11 15.558 -11.852 0.278 86 HD3 LYS 11 1HD LYS 11 14.169 -12.845 0.707 87 HE2 LYS 11 2HE LYS 11 15.632 -14.334 -0.348 88 HE3 LYS 11 1HE LYS 11 14.459 -13.933 -1.596 89 HZ1 LYS 11 3HZ LYS 11 16.754 -13.933 -2.400 90 HZ2 LYS 11 1HZ LYS 11 17.140 -12.688 -1.321 91 HZ3 LYS 11 2HZ LYS 11 16.029 -12.415 -2.570 92 H ILE 12 H ILE 12 14.861 -7.795 -1.450 93 HA ILE 12 HA ILE 12 13.123 -7.141 0.615 94 HB ILE 12 HB ILE 12 15.031 -5.292 -0.846 95 HG12 ILE 12 2HG1 ILE 12 15.403 -6.950 1.669 96 HG13 ILE 12 1HG1 ILE 12 16.099 -7.310 0.094 97 HG21 ILE 12 1HG2 ILE 12 15.011 -3.932 1.207 98 HG22 ILE 12 2HG2 ILE 12 13.763 -4.980 1.883 99 HG23 ILE 12 3HG2 ILE 12 13.415 -4.003 0.456 100 HD11 ILE 12 3HD1 ILE 12 16.715 -4.905 1.795 101 HD12 ILE 12 1HD1 ILE 12 17.406 -5.245 0.209 102 HD13 ILE 12 2HD1 ILE 12 17.741 -6.321 1.567 103 H VAL 13 H VAL 13 13.223 -5.803 -2.684 104 HA VAL 13 HA VAL 13 11.195 -3.862 -2.330 105 HB VAL 13 HB VAL 13 11.965 -5.273 -4.898 106 HG11 VAL 13 1HG1 VAL 13 10.614 -2.604 -4.448 107 HG12 VAL 13 2HG1 VAL 13 9.848 -4.063 -5.078 108 HG13 VAL 13 3HG1 VAL 13 11.111 -3.260 -6.010 109 HG21 VAL 13 3HG2 VAL 13 13.468 -3.351 -5.267 110 HG22 VAL 13 1HG2 VAL 13 13.923 -4.290 -3.846 111 HG23 VAL 13 2HG2 VAL 13 13.080 -2.752 -3.654 112 H ASN 14 H ASN 14 11.041 -7.271 -3.310 113 HA ASN 14 HA ASN 14 8.177 -7.186 -3.722 114 HB2 ASN 14 2HB ASN 14 10.198 -9.425 -3.721 115 HB3 ASN 14 1HB ASN 14 8.469 -9.728 -3.870 116 HD21 ASN 14 1HD2 ASN 14 11.263 -8.327 -5.401 117 HD22 ASN 14 2HD2 ASN 14 10.575 -8.209 -6.977 118 H ASN 15 H ASN 15 10.225 -7.549 -1.014 119 HA ASN 15 HA ASN 15 8.212 -8.975 0.577 120 HB2 ASN 15 2HB ASN 15 11.072 -8.170 1.105 121 HB3 ASN 15 1HB ASN 15 10.026 -8.767 2.387 122 HD21 ASN 15 1HD2 ASN 15 9.899 -9.935 -0.917 123 HD22 ASN 15 2HD2 ASN 15 10.496 -11.514 -0.566 124 H ILE 16 H ILE 16 8.243 -5.964 -0.372 125 HA ILE 16 HA ILE 16 8.297 -4.431 2.020 126 HB ILE 16 HB ILE 16 6.921 -3.806 -0.606 127 HG12 ILE 16 2HG1 ILE 16 9.619 -2.950 0.484 128 HG13 ILE 16 1HG1 ILE 16 9.362 -4.118 -0.808 129 HG21 ILE 16 1HG2 ILE 16 6.971 -1.464 0.152 130 HG22 ILE 16 2HG2 ILE 16 7.593 -1.990 1.716 131 HG23 ILE 16 3HG2 ILE 16 5.978 -2.475 1.201 132 HD11 ILE 16 3HD1 ILE 16 8.372 -2.357 -2.189 133 HD12 ILE 16 1HD1 ILE 16 10.021 -1.968 -1.701 134 HD13 ILE 16 2HD1 ILE 16 8.658 -1.188 -0.897 135 H ARG 17 H ARG 17 6.996 -5.041 3.666 136 HA ARG 17 HA ARG 17 4.121 -5.448 3.131 137 HB2 ARG 17 2HB ARG 17 5.450 -7.244 4.331 138 HB3 ARG 17 1HB ARG 17 5.622 -6.124 5.674 139 HG2 ARG 17 2HG ARG 17 3.824 -7.681 6.111 140 HG3 ARG 17 1HG ARG 17 3.167 -6.054 5.906 141 HD2 ARG 17 2HD ARG 17 2.531 -6.579 3.611 142 HD3 ARG 17 1HD ARG 17 3.241 -8.185 3.762 143 HE ARG 17 HE ARG 17 1.191 -7.633 5.707 144 HH11 ARG 17 1HH1 ARG 17 1.823 -8.764 2.517 145 HH12 ARG 17 2HH1 ARG 17 0.355 -9.669 2.420 146 HH21 ARG 17 1HH2 ARG 17 -0.687 -8.815 5.594 147 HH22 ARG 17 2HH2 ARG 17 -1.047 -9.702 4.152 148 H LEU 18 H LEU 18 2.558 -4.229 4.167 149 HA LEU 18 HA LEU 18 3.309 -1.577 4.927 150 HB2 LEU 18 2HB LEU 18 0.772 -1.369 5.326 151 HB3 LEU 18 1HB LEU 18 1.355 -1.641 3.698 152 HG LEU 18 HG LEU 18 0.677 -3.980 3.790 153 HD11 LEU 18 1HD1 LEU 18 -0.228 -3.414 6.615 154 HD12 LEU 18 2HD1 LEU 18 1.089 -4.484 6.131 155 HD13 LEU 18 3HD1 LEU 18 -0.575 -4.884 5.705 156 HD21 LEU 18 3HD2 LEU 18 -1.514 -2.143 4.763 157 HD22 LEU 18 1HD2 LEU 18 -1.749 -3.679 3.931 158 HD23 LEU 18 2HD2 LEU 18 -0.985 -2.330 3.093 159 H LYS 19 H LYS 19 4.313 -3.471 6.854 160 HA LYS 19 HA LYS 19 3.409 -2.209 9.265 161 HB2 LYS 19 2HB LYS 19 1.704 -4.062 8.827 162 HB3 LYS 19 1HB LYS 19 3.005 -5.208 9.113 163 HG2 LYS 19 2HG LYS 19 3.280 -4.340 11.385 164 HG3 LYS 19 1HG LYS 19 1.990 -3.170 11.099 165 HD2 LYS 19 2HD LYS 19 1.660 -6.177 10.984 166 HD3 LYS 19 1HD LYS 19 1.239 -5.172 12.368 167 HE2 LYS 19 2HE LYS 19 0.039 -4.830 9.615 168 HE3 LYS 19 1HE LYS 19 -0.688 -5.810 10.886 169 HZ1 LYS 19 3HZ LYS 19 -0.172 -2.887 11.007 170 HZ2 LYS 19 1HZ LYS 19 -0.799 -3.815 12.272 171 HZ3 LYS 19 2HZ LYS 19 -1.685 -3.634 10.845 172 H ASP 20 H ASP 20 5.278 -4.789 7.751 173 HA ASP 20 HA ASP 20 7.302 -4.736 9.847 174 HB2 ASP 20 2HB ASP 20 6.613 -6.891 8.859 175 HB3 ASP 20 1HB ASP 20 7.157 -6.340 7.277 176 H THR 21 H THR 21 7.085 -4.026 6.358 177 HA THR 21 HA THR 21 9.822 -3.107 6.214 178 HB THR 21 HB THR 21 7.647 -2.910 4.115 179 HG1 THR 21 HG1 THR 21 9.327 -4.784 3.451 180 HG21 THR 21 3HG2 THR 21 9.504 -2.701 2.523 181 HG22 THR 21 1HG2 THR 21 10.658 -2.743 3.856 182 HG23 THR 21 2HG2 THR 21 9.541 -1.389 3.700 183 H PHE 22 H PHE 22 6.610 -1.582 6.109 184 HA PHE 22 HA PHE 22 7.705 0.912 7.053 185 HB2 PHE 22 2HB PHE 22 7.191 2.302 5.200 186 HB3 PHE 22 1HB PHE 22 8.059 0.932 4.521 187 HD1 PHE 22 HD1 PHE 22 6.398 -1.097 3.816 188 HD2 PHE 22 HD2 PHE 22 5.343 3.028 4.041 189 HE1 PHE 22 HE1 PHE 22 4.536 -1.486 2.258 190 HE2 PHE 22 HE2 PHE 22 3.484 2.637 2.482 191 HZ PHE 22 HZ PHE 22 3.074 0.378 1.590 192 H ASP 23 H ASP 23 6.049 2.450 7.647 193 HA ASP 23 HA ASP 23 3.337 1.291 7.836 194 HB2 ASP 23 2HB ASP 23 4.621 3.438 9.554 195 HB3 ASP 23 1HB ASP 23 2.997 2.794 9.760 196 H PHE 24 H PHE 24 1.982 2.149 6.322 197 HA PHE 24 HA PHE 24 2.538 4.815 5.276 198 HB2 PHE 24 2HB PHE 24 1.035 4.357 3.494 199 HB3 PHE 24 1HB PHE 24 1.984 2.901 3.737 200 HD1 PHE 24 HD1 PHE 24 0.854 1.079 5.289 201 HD2 PHE 24 HD2 PHE 24 -1.253 4.184 3.264 202 HE1 PHE 24 HE1 PHE 24 -1.219 -0.239 5.424 203 HE2 PHE 24 HE2 PHE 24 -3.325 2.866 3.399 204 HZ PHE 24 HZ PHE 24 -3.308 0.653 4.481 205 H LYS 25 H LYS 25 1.662 6.546 6.099 206 HA LYS 25 HA LYS 25 -0.780 6.288 7.734 207 HB2 LYS 25 2HB LYS 25 1.224 6.753 9.053 208 HB3 LYS 25 1HB LYS 25 1.576 8.164 8.066 209 HG2 LYS 25 2HG LYS 25 -0.288 9.351 8.940 210 HG3 LYS 25 1HG LYS 25 -0.944 7.895 9.697 211 HD2 LYS 25 2HD LYS 25 0.123 9.342 11.355 212 HD3 LYS 25 1HD LYS 25 0.974 7.804 11.212 213 HE2 LYS 25 2HE LYS 25 2.626 9.511 11.348 214 HE3 LYS 25 1HE LYS 25 2.599 8.955 9.678 215 HZ1 LYS 25 3HZ LYS 25 1.208 10.893 9.133 216 HZ2 LYS 25 1HZ LYS 25 2.715 11.339 9.756 217 HZ3 LYS 25 2HZ LYS 25 1.342 11.431 10.730 218 H LEU 26 H LEU 26 -2.500 7.415 7.108 219 HA LEU 26 HA LEU 26 -2.375 9.102 4.784 220 HB2 LEU 26 2HB LEU 26 -4.658 8.325 6.605 221 HB3 LEU 26 1HB LEU 26 -4.855 9.347 5.195 222 HG LEU 26 HG LEU 26 -5.542 7.133 4.606 223 HD11 LEU 26 1HD1 LEU 26 -4.083 6.626 2.734 224 HD12 LEU 26 2HD1 LEU 26 -2.807 7.626 3.429 225 HD13 LEU 26 3HD1 LEU 26 -4.313 8.367 2.888 226 HD21 LEU 26 3HD2 LEU 26 -2.841 6.151 5.539 227 HD22 LEU 26 1HD2 LEU 26 -4.097 5.176 4.773 228 HD23 LEU 26 2HD2 LEU 26 -4.380 5.888 6.360 229 H ALA 27 H ALA 27 -2.497 11.291 4.642 230 HA ALA 27 HA ALA 27 -1.772 12.899 6.836 231 HB1 ALA 27 3HB ALA 27 -2.148 14.803 5.344 232 HB2 ALA 27 1HB ALA 27 -2.983 13.750 4.203 233 HB3 ALA 27 2HB ALA 27 -1.265 13.514 4.526 234 H ALA 28 H ALA 28 -4.933 12.138 5.470 235 HA ALA 28 HA ALA 28 -6.340 14.098 7.062 236 HB1 ALA 28 3HB ALA 28 -7.208 13.396 4.879 237 HB2 ALA 28 1HB ALA 28 -8.374 13.091 6.167 238 HB3 ALA 28 2HB ALA 28 -7.434 11.758 5.493 239 H PHE 29 H PHE 29 -5.272 10.845 7.493 240 HA PHE 29 HA PHE 29 -6.627 10.731 10.111 241 HB2 PHE 29 2HB PHE 29 -6.208 8.321 8.322 242 HB3 PHE 29 1HB PHE 29 -7.067 8.370 9.857 243 HD1 PHE 29 HD1 PHE 29 -9.233 9.685 9.988 244 HD2 PHE 29 HD2 PHE 29 -7.325 8.741 6.297 245 HE1 PHE 29 HE1 PHE 29 -11.344 10.096 8.790 246 HE2 PHE 29 HE2 PHE 29 -9.434 9.149 5.098 247 HZ PHE 29 HZ PHE 29 -11.447 9.830 6.345 248 HA PRO 30 HA PRO 30 -1.986 10.208 10.339 249 HB2 PRO 30 2HB PRO 30 -1.546 11.918 12.398 250 HB3 PRO 30 1HB PRO 30 -1.712 12.463 10.723 251 HG2 PRO 30 2HG PRO 30 -3.761 12.441 12.917 252 HG3 PRO 30 1HG PRO 30 -3.381 13.728 11.756 253 HD2 PRO 30 2HD PRO 30 -5.487 12.053 11.429 254 HD3 PRO 30 1HD PRO 30 -4.584 12.727 10.057 255 H ASN 31 H ASN 31 -4.539 9.302 12.300 256 HA ASN 31 HA ASN 31 -2.741 7.701 14.001 257 HB2 ASN 31 2HB ASN 31 -5.175 9.223 14.979 258 HB3 ASN 31 1HB ASN 31 -4.246 8.077 15.943 259 HD21 ASN 31 1HD2 ASN 31 -4.251 11.214 14.449 260 HD22 ASN 31 2HD2 ASN 31 -2.875 11.838 15.286 261 H GLN 32 H GLN 32 -4.336 7.094 11.580 262 HA GLN 32 HA GLN 32 -6.563 5.493 12.503 263 HB2 GLN 32 2HB GLN 32 -6.928 4.952 10.152 264 HB3 GLN 32 1HB GLN 32 -6.730 6.680 10.371 265 HG2 GLN 32 2HG GLN 32 -5.452 6.390 8.511 266 HG3 GLN 32 1HG GLN 32 -4.219 6.132 9.741 267 HE21 GLN 32 1HE2 GLN 32 -6.236 4.619 7.347 268 HE22 GLN 32 2HE2 GLN 32 -5.378 3.124 7.284 269 H ASN 33 H ASN 33 -6.792 3.235 12.181 270 HA ASN 33 HA ASN 33 -4.274 1.722 11.877 271 HB2 ASN 33 2HB ASN 33 -6.900 0.998 13.192 272 HB3 ASN 33 1HB ASN 33 -5.699 -0.215 12.776 273 HD21 ASN 33 1HD2 ASN 33 -4.796 2.975 13.876 274 HD22 ASN 33 2HD2 ASN 33 -4.199 2.474 15.411 275 H TYR 34 H TYR 34 -4.035 1.342 9.733 276 HA TYR 34 HA TYR 34 -6.006 1.076 7.795 277 HB2 TYR 34 2HB TYR 34 -4.225 -0.187 6.480 278 HB3 TYR 34 1HB TYR 34 -3.784 1.418 7.057 279 HD1 TYR 34 HD2 TYR 34 -2.249 1.661 8.991 280 HD2 TYR 34 HD1 TYR 34 -3.055 -2.140 7.245 281 HE1 TYR 34 HE2 TYR 34 -0.264 0.739 10.099 282 HE2 TYR 34 HE1 TYR 34 -1.067 -3.069 8.351 283 HH TYR 34 HH TYR 34 1.221 -1.960 9.248 284 H ASP 35 H ASP 35 -4.946 -1.285 10.119 285 HA ASP 35 HA ASP 35 -5.995 -3.619 8.911 286 HB2 ASP 35 2HB ASP 35 -5.741 -3.007 11.871 287 HB3 ASP 35 1HB ASP 35 -5.834 -4.604 11.130 288 H GLN 36 H GLN 36 -7.597 -0.904 10.100 289 HA GLN 36 HA GLN 36 -10.159 -2.357 10.294 290 HB2 GLN 36 2HB GLN 36 -9.358 0.046 11.950 291 HB3 GLN 36 1HB GLN 36 -10.888 -0.816 12.041 292 HG2 GLN 36 2HG GLN 36 -9.725 -2.805 12.848 293 HG3 GLN 36 1HG GLN 36 -8.184 -1.954 12.737 294 HE21 GLN 36 1HE2 GLN 36 -9.451 -3.137 15.061 295 HE22 GLN 36 2HE2 GLN 36 -9.647 -1.863 16.207 296 H LEU 37 H LEU 37 -8.444 0.494 9.239 297 HA LEU 37 HA LEU 37 -10.742 2.059 8.564 298 HB2 LEU 37 2HB LEU 37 -8.223 2.711 9.066 299 HB3 LEU 37 1HB LEU 37 -8.051 2.523 7.335 300 HG LEU 37 HG LEU 37 -8.395 4.864 7.943 301 HD11 LEU 37 1HD1 LEU 37 -10.255 5.402 6.455 302 HD12 LEU 37 2HD1 LEU 37 -10.781 3.719 6.499 303 HD13 LEU 37 3HD1 LEU 37 -9.228 4.139 5.778 304 HD21 LEU 37 3HD2 LEU 37 -10.507 5.634 8.905 305 HD22 LEU 37 1HD2 LEU 37 -9.668 4.536 10.001 306 HD23 LEU 37 2HD2 LEU 37 -11.052 3.964 9.067 307 H LEU 38 H LEU 38 -12.051 1.663 6.900 308 HA LEU 38 HA LEU 38 -11.617 -0.345 5.005 309 HB2 LEU 38 2HB LEU 38 -13.597 1.934 4.949 310 HB3 LEU 38 1HB LEU 38 -13.666 0.523 3.908 311 HG LEU 38 HG LEU 38 -13.962 0.528 6.921 312 HD11 LEU 38 1HD1 LEU 38 -15.920 1.389 5.731 313 HD12 LEU 38 2HD1 LEU 38 -16.253 -0.171 6.479 314 HD13 LEU 38 3HD1 LEU 38 -15.966 -0.071 4.742 315 HD21 LEU 38 3HD2 LEU 38 -12.807 -1.484 6.208 316 HD22 LEU 38 1HD2 LEU 38 -14.025 -1.775 4.966 317 HD23 LEU 38 2HD2 LEU 38 -14.465 -1.871 6.671 318 HA PRO 39 HA PRO 39 -8.930 1.309 1.971 319 HB2 PRO 39 2HB PRO 39 -9.976 0.066 -0.288 320 HB3 PRO 39 1HB PRO 39 -8.857 -0.673 0.861 321 HG2 PRO 39 2HG PRO 39 -11.842 -0.899 0.709 322 HG3 PRO 39 1HG PRO 39 -10.637 -2.159 1.042 323 HD2 PRO 39 2HD PRO 39 -12.060 -1.076 3.022 324 HD3 PRO 39 1HD PRO 39 -10.341 -1.468 3.252 325 H SER 40 H SER 40 -12.403 1.480 1.117 326 HA SER 40 HA SER 40 -12.208 3.333 -0.985 327 HB2 SER 40 2HB SER 40 -14.470 3.073 1.022 328 HB3 SER 40 1HB SER 40 -14.574 3.853 -0.557 329 HG SER 40 HG SER 40 -15.048 1.949 -1.296 330 H GLN 41 H GLN 41 -12.329 3.832 2.497 331 HA GLN 41 HA GLN 41 -12.494 6.694 2.376 332 HB2 GLN 41 2HB GLN 41 -11.651 4.875 4.646 333 HB3 GLN 41 1HB GLN 41 -12.053 6.581 4.799 334 HG2 GLN 41 2HG GLN 41 -14.342 6.152 4.195 335 HG3 GLN 41 1HG GLN 41 -13.974 4.465 3.839 336 HE21 GLN 41 1HE2 GLN 41 -15.482 3.725 5.345 337 HE22 GLN 41 2HE2 GLN 41 -15.211 3.836 7.046 338 H ILE 42 H ILE 42 -9.877 4.349 2.911 339 HA ILE 42 HA ILE 42 -7.729 6.069 3.365 340 HB ILE 42 HB ILE 42 -7.664 3.489 1.772 341 HG12 ILE 42 2HG1 ILE 42 -7.275 3.908 4.752 342 HG13 ILE 42 1HG1 ILE 42 -8.712 3.213 4.007 343 HG21 ILE 42 1HG2 ILE 42 -5.460 4.904 3.280 344 HG22 ILE 42 2HG2 ILE 42 -5.619 4.804 1.526 345 HG23 ILE 42 3HG2 ILE 42 -5.321 3.344 2.468 346 HD11 ILE 42 3HD1 ILE 42 -7.286 1.485 4.918 347 HD12 ILE 42 1HD1 ILE 42 -5.936 2.045 3.934 348 HD13 ILE 42 2HD1 ILE 42 -7.361 1.350 3.161 349 H TYR 43 H TYR 43 -9.049 4.900 0.298 350 HA TYR 43 HA TYR 43 -7.189 5.886 -1.497 351 HB2 TYR 43 2HB TYR 43 -8.952 4.333 -2.138 352 HB3 TYR 43 1HB TYR 43 -10.181 5.555 -1.836 353 HD1 TYR 43 HD1 TYR 43 -7.486 4.499 -4.121 354 HD2 TYR 43 HD2 TYR 43 -10.633 7.294 -3.456 355 HE1 TYR 43 HE1 TYR 43 -7.338 5.220 -6.465 356 HE2 TYR 43 HE2 TYR 43 -10.488 8.020 -5.800 357 HH TYR 43 HH TYR 43 -8.926 6.292 -8.162 358 H LYS 44 H LYS 44 -10.014 7.579 -0.141 359 HA LYS 44 HA LYS 44 -9.964 9.738 -1.961 360 HB2 LYS 44 2HB LYS 44 -11.192 9.513 0.788 361 HB3 LYS 44 1HB LYS 44 -11.447 10.881 -0.287 362 HG2 LYS 44 2HG LYS 44 -12.250 8.016 -0.782 363 HG3 LYS 44 1HG LYS 44 -13.319 9.382 -0.445 364 HD2 LYS 44 2HD LYS 44 -12.468 10.457 -2.550 365 HD3 LYS 44 1HD LYS 44 -11.604 8.959 -2.901 366 HE2 LYS 44 2HE LYS 44 -13.687 8.972 -4.113 367 HE3 LYS 44 1HE LYS 44 -13.772 7.751 -2.845 368 HZ1 LYS 44 3HZ LYS 44 -14.964 10.473 -2.732 369 HZ2 LYS 44 1HZ LYS 44 -15.015 9.334 -1.486 370 HZ3 LYS 44 2HZ LYS 44 -15.806 9.024 -2.945 371 H ASN 45 H ASN 45 -7.895 9.139 0.709 372 HA ASN 45 HA ASN 45 -7.389 11.911 1.329 373 HB2 ASN 45 2HB ASN 45 -7.124 10.077 3.001 374 HB3 ASN 45 1HB ASN 45 -5.735 9.491 2.088 375 HD21 ASN 45 1HD2 ASN 45 -6.536 12.874 2.584 376 HD22 ASN 45 2HD2 ASN 45 -5.161 13.236 3.557 377 H TYR 46 H TYR 46 -6.441 9.932 -1.221 378 HA TYR 46 HA TYR 46 -3.771 10.507 -1.691 379 HB2 TYR 46 2HB TYR 46 -4.148 9.937 -3.977 380 HB3 TYR 46 1HB TYR 46 -5.254 8.957 -3.024 381 HD1 TYR 46 HD2 TYR 46 -7.618 10.339 -2.600 382 HD2 TYR 46 HD1 TYR 46 -5.046 10.712 -5.973 383 HE1 TYR 46 HE2 TYR 46 -9.505 11.149 -3.943 384 HE2 TYR 46 HE1 TYR 46 -6.931 11.530 -7.323 385 HH TYR 46 HH TYR 46 -9.452 11.320 -7.278 386 H TYR 47 H TYR 47 -6.517 12.615 -2.020 387 HA TYR 47 HA TYR 47 -5.329 14.527 -3.765 388 HB2 TYR 47 2HB TYR 47 -7.808 14.176 -3.372 389 HB3 TYR 47 1HB TYR 47 -7.610 15.015 -1.838 390 HD1 TYR 47 HD1 TYR 47 -7.262 15.410 -5.511 391 HD2 TYR 47 HD2 TYR 47 -7.606 17.397 -1.757 392 HE1 TYR 47 HE1 TYR 47 -7.562 17.551 -6.676 393 HE2 TYR 47 HE2 TYR 47 -7.902 19.546 -2.919 394 HH TYR 47 HH TYR 47 -7.447 20.572 -5.036 395 H GLN 48 H GLN 48 -5.310 14.095 -0.284 396 HA GLN 48 HA GLN 48 -4.047 16.679 0.203 397 HB2 GLN 48 2HB GLN 48 -4.616 14.357 2.064 398 HB3 GLN 48 1HB GLN 48 -3.838 15.847 2.568 399 HG2 GLN 48 2HG GLN 48 -6.102 15.987 3.226 400 HG3 GLN 48 1HG GLN 48 -5.905 17.070 1.851 401 HE21 GLN 48 1HE2 GLN 48 -6.980 16.625 -0.043 402 HE22 GLN 48 2HE2 GLN 48 -8.181 15.388 -0.174 403 H GLY 49 H GLY 49 -3.149 13.245 0.552 404 HA2 GLY 49 2HA GLY 49 -0.817 12.910 -0.555 405 HA3 GLY 49 1HA GLY 49 -0.311 14.019 0.711 406 H ILE 50 H ILE 50 0.537 11.257 0.266 407 HA ILE 50 HA ILE 50 -0.473 9.972 2.732 408 HB ILE 50 HB ILE 50 0.935 8.670 0.385 409 HG12 ILE 50 2HG1 ILE 50 -1.980 8.554 1.223 410 HG13 ILE 50 1HG1 ILE 50 -1.355 9.429 -0.170 411 HG21 ILE 50 1HG2 ILE 50 -0.323 7.454 2.854 412 HG22 ILE 50 2HG2 ILE 50 1.400 7.515 2.478 413 HG23 ILE 50 3HG2 ILE 50 0.314 6.546 1.482 414 HD11 ILE 50 3HD1 ILE 50 -1.311 6.445 0.233 415 HD12 ILE 50 1HD1 ILE 50 -0.621 7.298 -1.150 416 HD13 ILE 50 2HD1 ILE 50 -2.359 7.350 -0.858 417 H GLU 51 H GLU 51 0.909 9.622 4.392 418 HA GLU 51 HA GLU 51 3.690 10.513 4.085 419 HB2 GLU 51 2HB GLU 51 2.109 9.875 6.588 420 HB3 GLU 51 1HB GLU 51 3.727 10.565 6.541 421 HG2 GLU 51 2HG GLU 51 2.857 12.559 5.444 422 HG3 GLU 51 1HG GLU 51 1.234 11.866 5.460 423 H ILE 52 H ILE 52 5.368 9.133 4.105 424 HA ILE 52 HA ILE 52 4.803 6.286 4.630 425 HB ILE 52 HB ILE 52 7.048 7.518 3.018 426 HG12 ILE 52 2HG1 ILE 52 4.880 7.719 1.894 427 HG13 ILE 52 1HG1 ILE 52 5.888 6.535 1.070 428 HG21 ILE 52 1HG2 ILE 52 6.347 4.608 3.448 429 HG22 ILE 52 2HG2 ILE 52 7.769 5.443 4.073 430 HG23 ILE 52 3HG2 ILE 52 7.575 5.213 2.335 431 HD11 ILE 52 3HD1 ILE 52 4.641 4.730 2.148 432 HD12 ILE 52 1HD1 ILE 52 3.588 5.788 1.211 433 HD13 ILE 52 2HD1 ILE 52 3.632 5.922 2.969 434 H GLN 53 H GLN 53 5.330 5.756 6.664 435 HA GLN 53 HA GLN 53 7.607 6.894 8.030 436 HB2 GLN 53 2HB GLN 53 5.663 6.316 9.342 437 HB3 GLN 53 1HB GLN 53 5.693 4.663 8.753 438 HG2 GLN 53 2HG GLN 53 6.496 4.830 11.054 439 HG3 GLN 53 1HG GLN 53 7.748 4.230 9.968 440 HE21 GLN 53 1HE2 GLN 53 9.584 5.441 9.650 441 HE22 GLN 53 2HE2 GLN 53 9.947 6.857 10.566 442 H GLN 54 H GLN 54 9.584 6.333 7.285 443 HA GLN 54 HA GLN 54 10.226 3.906 6.012 444 HB2 GLN 54 2HB GLN 54 12.567 4.578 6.254 445 HB3 GLN 54 1HB GLN 54 11.575 5.933 5.743 446 HG2 GLN 54 2HG GLN 54 12.866 6.964 7.308 447 HG3 GLN 54 1HG GLN 54 11.523 6.454 8.328 448 HE21 GLN 54 1HE2 GLN 54 12.761 6.392 10.197 449 HE22 GLN 54 2HE2 GLN 54 13.979 5.201 10.469 450 H HIS 55 H HIS 55 10.985 1.948 6.739 451 HA HIS 55 HA HIS 55 11.431 1.572 9.613 452 HB2 HIS 55 2HB HIS 55 8.923 1.342 8.894 453 HB3 HIS 55 1HB HIS 55 9.431 -0.198 8.218 454 HD1 HIS 55 HD1 HIS 55 7.532 0.588 10.811 455 HD2 HIS 55 HD2 HIS 55 11.260 -1.254 10.755 456 HE1 HIS 55 HE1 HIS 55 7.678 -0.702 12.958 457 HE2 HIS 55 HE2 HIS 55 9.890 -1.895 12.850 458 H LYS 56 H LYS 56 12.805 1.197 6.823 459 HA LYS 56 HA LYS 56 14.165 -1.250 7.537 460 HB2 LYS 56 2HB LYS 56 11.982 -1.440 5.769 461 HB3 LYS 56 1HB LYS 56 13.404 -1.526 4.741 462 HG2 LYS 56 2HG LYS 56 14.272 -3.372 6.130 463 HG3 LYS 56 1HG LYS 56 12.802 -3.304 7.106 464 HD2 LYS 56 2HD LYS 56 11.478 -3.774 5.051 465 HD3 LYS 56 1HD LYS 56 12.989 -3.959 4.158 466 HE2 LYS 56 2HE LYS 56 12.138 -6.134 4.786 467 HE3 LYS 56 1HE LYS 56 13.624 -5.804 5.675 468 HZ1 LYS 56 3HZ LYS 56 12.174 -5.080 7.558 469 HZ2 LYS 56 1HZ LYS 56 12.074 -6.723 7.182 470 HZ3 LYS 56 2HZ LYS 56 10.843 -5.676 6.703 471 H TYR 57 H TYR 57 15.520 -1.793 5.213 472 HA TYR 57 HA TYR 57 17.489 0.257 5.160 473 HB2 TYR 57 2HB TYR 57 17.111 -2.279 3.559 474 HB3 TYR 57 1HB TYR 57 18.454 -1.182 3.261 475 HD1 TYR 57 HD2 TYR 57 16.865 -2.653 6.344 476 HD2 TYR 57 HD1 TYR 57 20.434 -1.960 4.126 477 HE1 TYR 57 HE2 TYR 57 18.174 -3.760 8.107 478 HE2 TYR 57 HE1 TYR 57 21.750 -3.065 5.884 479 HH TYR 57 HH TYR 57 20.292 -4.861 8.427 480 H GLN 58 H GLN 58 16.281 2.128 4.463 481 HA GLN 58 HA GLN 58 15.173 2.166 1.786 482 HB2 GLN 58 2HB GLN 58 15.623 4.514 3.636 483 HB3 GLN 58 1HB GLN 58 14.565 4.458 2.235 484 HG2 GLN 58 2HG GLN 58 14.216 3.061 4.873 485 HG3 GLN 58 1HG GLN 58 13.207 4.322 4.175 486 HE21 GLN 58 1HE2 GLN 58 13.295 2.996 1.493 487 HE22 GLN 58 2HE2 GLN 58 12.223 1.658 1.643 488 H ASN 59 H ASN 59 18.258 2.408 2.995 489 HA ASN 59 HA ASN 59 19.507 4.444 1.585 490 HB2 ASN 59 2HB ASN 59 20.629 3.115 3.308 491 HB3 ASN 59 1HB ASN 59 20.587 1.698 2.271 492 HD21 ASN 59 1HD2 ASN 59 22.048 4.809 2.800 493 HD22 ASN 59 2HD2 ASN 59 23.380 4.582 1.727 494 H GLU 60 H GLU 60 18.329 1.378 0.385 495 HA GLU 60 HA GLU 60 19.620 1.801 -2.224 496 HB2 GLU 60 2HB GLU 60 19.848 -0.432 -1.270 497 HB3 GLU 60 1HB GLU 60 18.104 -0.582 -1.129 498 HG2 GLU 60 2HG GLU 60 18.748 -1.848 -3.017 499 HG3 GLU 60 1HG GLU 60 17.975 -0.391 -3.633 500 H LEU 61 H LEU 61 16.370 1.381 -0.809 501 HA LEU 61 HA LEU 61 15.216 2.221 -3.394 502 HB2 LEU 61 2HB LEU 61 13.265 0.791 -2.933 503 HB3 LEU 61 1HB LEU 61 14.747 -0.125 -3.109 504 HG LEU 61 HG LEU 61 13.721 0.589 -0.366 505 HD11 LEU 61 1HD1 LEU 61 12.520 -1.540 -0.294 506 HD12 LEU 61 2HD1 LEU 61 12.893 -1.821 -1.995 507 HD13 LEU 61 3HD1 LEU 61 11.851 -0.474 -1.529 508 HD21 LEU 61 3HD2 LEU 61 15.993 -0.311 -0.534 509 HD22 LEU 61 1HD2 LEU 61 15.381 -1.715 -1.408 510 HD23 LEU 61 2HD2 LEU 61 14.920 -1.450 0.274 511 H ASP 62 H ASP 62 13.881 3.900 -3.384 512 HA ASP 62 HA ASP 62 13.045 5.127 -0.867 513 HB2 ASP 62 2HB ASP 62 14.014 6.382 -2.884 514 HB3 ASP 62 1HB ASP 62 12.469 6.103 -3.676 515 H ILE 63 H ILE 63 11.018 4.846 -0.012 516 HA ILE 63 HA ILE 63 9.059 3.340 -1.617 517 HB ILE 63 HB ILE 63 9.298 3.673 1.381 518 HG12 ILE 63 2HG1 ILE 63 9.682 1.282 -0.445 519 HG13 ILE 63 1HG1 ILE 63 10.944 2.136 0.435 520 HG21 ILE 63 1HG2 ILE 63 7.220 2.144 -0.188 521 HG22 ILE 63 2HG2 ILE 63 6.943 3.587 0.787 522 HG23 ILE 63 3HG2 ILE 63 7.432 2.079 1.560 523 HD11 ILE 63 3HD1 ILE 63 10.405 0.053 1.526 524 HD12 ILE 63 1HD1 ILE 63 8.709 0.522 1.647 525 HD13 ILE 63 2HD1 ILE 63 9.937 1.409 2.550 526 H LYS 64 H LYS 64 7.663 4.659 -2.633 527 HA LYS 64 HA LYS 64 6.036 6.452 -0.959 528 HB2 LYS 64 2HB LYS 64 7.143 7.158 -3.690 529 HB3 LYS 64 1HB LYS 64 5.929 8.095 -2.835 530 HG2 LYS 64 2HG LYS 64 8.737 7.585 -1.851 531 HG3 LYS 64 1HG LYS 64 8.190 9.055 -2.653 532 HD2 LYS 64 2HD LYS 64 7.073 7.990 -0.054 533 HD3 LYS 64 1HD LYS 64 8.291 9.260 -0.180 534 HE2 LYS 64 2HE LYS 64 5.497 9.388 -1.330 535 HE3 LYS 64 1HE LYS 64 6.024 10.160 0.164 536 HZ1 LYS 64 3HZ LYS 64 6.003 11.706 -1.699 537 HZ2 LYS 64 1HZ LYS 64 7.108 10.744 -2.541 538 HZ3 LYS 64 2HZ LYS 64 7.573 11.499 -1.105 539 H ILE 65 H ILE 65 3.856 6.326 -1.354 540 HA ILE 65 HA ILE 65 2.966 4.321 -3.293 541 HB ILE 65 HB ILE 65 1.409 5.685 -1.079 542 HG12 ILE 65 2HG1 ILE 65 2.609 2.898 -1.208 543 HG13 ILE 65 1HG1 ILE 65 3.223 4.229 -0.234 544 HG21 ILE 65 1HG2 ILE 65 -0.276 3.924 -1.462 545 HG22 ILE 65 2HG2 ILE 65 0.665 3.332 -2.832 546 HG23 ILE 65 3HG2 ILE 65 -0.054 4.942 -2.886 547 HD11 ILE 65 3HD1 ILE 65 1.956 2.662 1.110 548 HD12 ILE 65 1HD1 ILE 65 0.541 2.899 0.087 549 HD13 ILE 65 2HD1 ILE 65 1.155 4.232 1.066 550 H ILE 66 H ILE 66 1.567 4.725 -4.967 551 HA ILE 66 HA ILE 66 1.158 7.533 -5.715 552 HB ILE 66 HB ILE 66 0.706 5.032 -7.366 553 HG12 ILE 66 2HG1 ILE 66 3.077 6.930 -7.362 554 HG13 ILE 66 1HG1 ILE 66 3.079 5.300 -6.700 555 HG21 ILE 66 1HG2 ILE 66 0.722 6.578 -9.284 556 HG22 ILE 66 2HG2 ILE 66 0.859 7.943 -8.174 557 HG23 ILE 66 3HG2 ILE 66 -0.590 6.936 -8.160 558 HD11 ILE 66 3HD1 ILE 66 4.136 5.346 -8.870 559 HD12 ILE 66 1HD1 ILE 66 2.686 6.043 -9.589 560 HD13 ILE 66 2HD1 ILE 66 2.646 4.403 -8.941 561 H ASN 67 H ASN 67 -0.749 4.509 -5.857 562 HA ASN 67 HA ASN 67 -3.096 5.777 -4.775 563 HB2 ASN 67 2HB ASN 67 -4.518 5.296 -6.799 564 HB3 ASN 67 1HB ASN 67 -3.360 6.605 -7.005 565 HD21 ASN 67 1HD2 ASN 67 -3.297 6.435 -9.220 566 HD22 ASN 67 2HD2 ASN 67 -2.565 5.103 -10.038 567 H PHE 68 H PHE 68 -5.075 4.012 -5.472 568 HA PHE 68 HA PHE 68 -4.018 1.428 -4.504 569 HB2 PHE 68 2HB PHE 68 -6.616 2.730 -3.642 570 HB3 PHE 68 1HB PHE 68 -5.955 1.213 -3.039 571 HD1 PHE 68 HD2 PHE 68 -3.875 1.240 -1.657 572 HD2 PHE 68 HD1 PHE 68 -5.897 4.820 -2.770 573 HE1 PHE 68 HE2 PHE 68 -2.665 2.467 0.098 574 HE2 PHE 68 HE1 PHE 68 -4.688 6.051 -1.016 575 HZ PHE 68 HZ PHE 68 -3.072 4.876 0.420 576 H LEU 69 H LEU 69 -4.581 -0.305 -5.684 577 HA LEU 69 HA LEU 69 -6.961 -0.131 -7.437 578 HB2 LEU 69 2HB LEU 69 -4.375 -1.606 -8.006 579 HB3 LEU 69 1HB LEU 69 -5.802 -1.629 -9.021 580 HG LEU 69 HG LEU 69 -5.472 0.922 -9.235 581 HD11 LEU 69 1HD1 LEU 69 -2.716 0.162 -8.256 582 HD12 LEU 69 2HD1 LEU 69 -3.866 1.206 -7.420 583 HD13 LEU 69 3HD1 LEU 69 -3.177 1.714 -8.960 584 HD21 LEU 69 3HD2 LEU 69 -5.089 -0.641 -11.065 585 HD22 LEU 69 1HD2 LEU 69 -3.463 -0.972 -10.464 586 HD23 LEU 69 2HD2 LEU 69 -3.872 0.635 -11.068 587 H TYR 70 H TYR 70 -7.955 -2.274 -7.963 588 HA TYR 70 HA TYR 70 -8.040 -3.999 -5.640 589 HB2 TYR 70 2HB TYR 70 -9.414 -4.267 -8.330 590 HB3 TYR 70 1HB TYR 70 -9.731 -5.285 -6.928 591 HD1 TYR 70 HD1 TYR 70 -9.768 -3.217 -4.761 592 HD2 TYR 70 HD2 TYR 70 -11.460 -3.184 -8.668 593 HE1 TYR 70 HE1 TYR 70 -11.488 -1.629 -4.003 594 HE2 TYR 70 HE2 TYR 70 -13.174 -1.590 -7.921 595 HH TYR 70 HH TYR 70 -12.983 0.054 -4.952 596 HA PRO 71 HA PRO 71 -4.817 -6.738 -7.013 597 HB2 PRO 71 2HB PRO 71 -5.412 -8.911 -5.470 598 HB3 PRO 71 1HB PRO 71 -4.642 -7.451 -4.834 599 HG2 PRO 71 2HG PRO 71 -7.530 -8.257 -4.750 600 HG3 PRO 71 1HG PRO 71 -6.523 -7.573 -3.460 601 HD2 PRO 71 2HD PRO 71 -8.251 -6.058 -4.871 602 HD3 PRO 71 1HD PRO 71 -6.698 -5.416 -4.293 603 H ASP 72 H ASP 72 -8.105 -8.034 -6.820 604 HA ASP 72 HA ASP 72 -7.597 -9.966 -8.945 605 HB2 ASP 72 2HB ASP 72 -8.896 -10.840 -7.163 606 HB3 ASP 72 1HB ASP 72 -9.933 -9.418 -7.110 607 H GLY 73 H GLY 73 -9.757 -7.203 -8.332 608 HA2 GLY 73 2HA GLY 73 -9.889 -5.698 -10.411 609 HA3 GLY 73 1HA GLY 73 -10.474 -7.157 -11.196 610 H ASP 74 H ASP 74 -12.085 -8.153 -9.077 611 HA ASP 74 HA ASP 74 -14.361 -6.349 -9.306 612 HB2 ASP 74 2HB ASP 74 -14.699 -8.734 -9.753 613 HB3 ASP 74 1HB ASP 74 -14.156 -9.130 -8.124 614 H PHE 75 H PHE 75 -15.307 -5.243 -7.672 615 HA PHE 75 HA PHE 75 -13.884 -4.568 -5.357 616 HB2 PHE 75 2HB PHE 75 -16.036 -3.489 -4.616 617 HB3 PHE 75 1HB PHE 75 -15.486 -3.018 -6.218 618 HD1 PHE 75 HD1 PHE 75 -16.668 -3.809 -8.224 619 HD2 PHE 75 HD2 PHE 75 -18.089 -4.708 -4.311 620 HE1 PHE 75 HE1 PHE 75 -18.855 -4.429 -9.164 621 HE2 PHE 75 HE2 PHE 75 -20.274 -5.327 -5.249 622 HZ PHE 75 HZ PHE 75 -20.662 -5.189 -7.677 623 H GLY 76 H GLY 76 -16.573 -6.872 -5.770 624 HA2 GLY 76 2HA GLY 76 -16.831 -7.494 -2.994 625 HA3 GLY 76 1HA GLY 76 -17.478 -8.432 -4.332 626 H SER 77 H SER 77 -15.113 -9.035 -5.682 627 HA SER 77 HA SER 77 -14.108 -11.261 -4.278 628 HB2 SER 77 2HB SER 77 -14.068 -11.053 -6.748 629 HB3 SER 77 1HB SER 77 -12.823 -9.811 -6.610 630 HG SER 77 HG SER 77 -11.731 -11.674 -6.940 631 H ALA 78 H ALA 78 -12.990 -7.946 -4.462 632 HA ALA 78 HA ALA 78 -10.496 -8.429 -3.103 633 HB1 ALA 78 3HB ALA 78 -10.803 -6.527 -4.643 634 HB2 ALA 78 1HB ALA 78 -10.291 -6.002 -3.039 635 HB3 ALA 78 2HB ALA 78 -11.977 -5.825 -3.530 636 H ASN 79 H ASN 79 -13.658 -7.077 -2.159 637 HA ASN 79 HA ASN 79 -12.993 -6.503 0.522 638 HB2 ASN 79 2HB ASN 79 -14.874 -5.410 -0.480 639 HB3 ASN 79 1HB ASN 79 -15.657 -6.944 -0.840 640 HD21 ASN 79 1HD2 ASN 79 -16.861 -7.931 0.724 641 HD22 ASN 79 2HD2 ASN 79 -17.156 -7.247 2.282 642 H LYS 80 H LYS 80 -14.309 -9.443 -0.960 643 HA LYS 80 HA LYS 80 -15.118 -10.734 1.397 644 HB2 LYS 80 2HB LYS 80 -15.161 -12.781 0.149 645 HB3 LYS 80 1HB LYS 80 -15.713 -11.485 -0.904 646 HG2 LYS 80 2HG LYS 80 -13.574 -11.435 -2.031 647 HG3 LYS 80 1HG LYS 80 -12.926 -12.641 -0.919 648 HD2 LYS 80 2HD LYS 80 -15.187 -13.049 -2.884 649 HD3 LYS 80 1HD LYS 80 -13.543 -13.671 -3.040 650 HE2 LYS 80 2HE LYS 80 -13.876 -14.999 -0.983 651 HE3 LYS 80 1HE LYS 80 -15.532 -14.403 -0.881 652 HZ1 LYS 80 3HZ LYS 80 -15.615 -16.516 -1.892 653 HZ2 LYS 80 1HZ LYS 80 -14.363 -16.149 -2.969 654 HZ3 LYS 80 2HZ LYS 80 -15.868 -15.399 -3.137 655 H ASN 81 H ASN 81 -11.965 -10.730 -0.228 656 HA ASN 81 HA ASN 81 -10.807 -12.367 1.912 657 HB2 ASN 81 2HB ASN 81 -9.597 -11.308 -0.657 658 HB3 ASN 81 1HB ASN 81 -8.766 -12.355 0.491 659 HD21 ASN 81 1HD2 ASN 81 -9.408 -12.797 -2.312 660 HD22 ASN 81 2HD2 ASN 81 -10.333 -14.253 -2.363 661 H GLY 82 H GLY 82 -11.266 -9.104 1.173 662 HA2 GLY 82 2HA GLY 82 -10.560 -7.173 2.207 663 HA3 GLY 82 1HA GLY 82 -9.777 -8.178 3.416 664 H THR 83 H THR 83 -9.189 -8.080 -0.063 665 HA THR 83 HA THR 83 -6.339 -7.567 0.498 666 HB THR 83 HB THR 83 -5.939 -8.552 -1.767 667 HG1 THR 83 HG1 THR 83 -8.001 -9.900 -2.361 668 HG21 THR 83 3HG2 THR 83 -7.476 -10.331 0.131 669 HG22 THR 83 1HG2 THR 83 -5.760 -9.940 0.249 670 HG23 THR 83 2HG2 THR 83 -6.361 -10.873 -1.123 671 H LEU 84 H LEU 84 -5.214 -5.962 -0.555 672 HA LEU 84 HA LEU 84 -6.572 -4.366 -2.618 673 HB2 LEU 84 2HB LEU 84 -6.901 -3.276 -0.368 674 HB3 LEU 84 1HB LEU 84 -5.160 -3.138 -0.235 675 HG LEU 84 HG LEU 84 -5.140 -1.671 -2.237 676 HD11 LEU 84 1HD1 LEU 84 -7.138 -2.480 -3.353 677 HD12 LEU 84 2HD1 LEU 84 -7.266 -0.747 -3.058 678 HD13 LEU 84 3HD1 LEU 84 -8.146 -1.883 -2.034 679 HD21 LEU 84 3HD2 LEU 84 -5.195 -0.692 -0.010 680 HD22 LEU 84 1HD2 LEU 84 -6.958 -0.767 -0.002 681 HD23 LEU 84 2HD2 LEU 84 -6.124 0.291 -1.141 682 H LYS 85 H LYS 85 -5.194 -3.609 -4.218 683 HA LYS 85 HA LYS 85 -2.376 -4.390 -4.019 684 HB2 LYS 85 2HB LYS 85 -4.248 -3.977 -6.247 685 HB3 LYS 85 1HB LYS 85 -2.679 -3.241 -6.529 686 HG2 LYS 85 2HG LYS 85 -1.626 -5.453 -6.017 687 HG3 LYS 85 1HG LYS 85 -3.248 -6.148 -5.957 688 HD2 LYS 85 2HD LYS 85 -3.638 -5.564 -8.271 689 HD3 LYS 85 1HD LYS 85 -2.116 -4.674 -8.346 690 HE2 LYS 85 2HE LYS 85 -1.758 -6.765 -9.423 691 HE3 LYS 85 1HE LYS 85 -0.932 -6.837 -7.871 692 HZ1 LYS 85 3HZ LYS 85 -2.926 -8.038 -7.017 693 HZ2 LYS 85 1HZ LYS 85 -2.056 -8.879 -8.196 694 HZ3 LYS 85 2HZ LYS 85 -3.506 -8.117 -8.606 695 H LEU 86 H LEU 86 -1.134 -2.946 -3.018 696 HA LEU 86 HA LEU 86 -1.555 -0.083 -3.256 697 HB2 LEU 86 2HB LEU 86 0.772 -1.517 -1.966 698 HB3 LEU 86 1HB LEU 86 0.256 0.135 -1.685 699 HG LEU 86 HG LEU 86 -1.248 -2.358 -0.859 700 HD11 LEU 86 1HD1 LEU 86 0.227 -0.306 0.792 701 HD12 LEU 86 2HD1 LEU 86 0.753 -1.960 0.478 702 HD13 LEU 86 3HD1 LEU 86 -0.708 -1.663 1.418 703 HD21 LEU 86 3HD2 LEU 86 -2.760 -0.828 0.316 704 HD22 LEU 86 1HD2 LEU 86 -2.796 -0.563 -1.426 705 HD23 LEU 86 2HD2 LEU 86 -1.912 0.551 -0.383 706 H SER 87 H SER 87 -0.633 1.169 -4.805 707 HA SER 87 HA SER 87 1.468 0.015 -6.490 708 HB2 SER 87 2HB SER 87 1.068 1.954 -7.970 709 HB3 SER 87 1HB SER 87 -0.419 1.068 -7.637 710 HG SER 87 HG SER 87 -1.189 2.885 -6.965 711 H LEU 88 H LEU 88 3.403 0.172 -5.450 712 HA LEU 88 HA LEU 88 4.222 2.792 -4.382 713 HB2 LEU 88 2HB LEU 88 5.289 0.004 -3.973 714 HB3 LEU 88 1HB LEU 88 6.225 1.416 -3.526 715 HG LEU 88 HG LEU 88 4.394 2.100 -1.977 716 HD11 LEU 88 1HD1 LEU 88 2.692 0.432 -1.361 717 HD12 LEU 88 2HD1 LEU 88 3.222 -0.587 -2.701 718 HD13 LEU 88 3HD1 LEU 88 2.513 0.996 -3.021 719 HD21 LEU 88 3HD2 LEU 88 5.516 -0.662 -1.494 720 HD22 LEU 88 1HD2 LEU 88 4.895 0.440 -0.265 721 HD23 LEU 88 2HD2 LEU 88 6.345 0.860 -1.175 722 H MET 89 H MET 89 5.861 3.962 -5.265 723 HA MET 89 HA MET 89 7.276 2.792 -7.566 724 HB2 MET 89 2HB MET 89 7.862 5.214 -8.106 725 HB3 MET 89 1HB MET 89 6.188 4.733 -8.321 726 HG2 MET 89 2HG MET 89 5.996 6.803 -7.325 727 HG3 MET 89 1HG MET 89 5.832 5.708 -5.957 728 HE1 MET 89 3HE MET 89 8.292 8.079 -7.917 729 HE2 MET 89 1HE MET 89 9.204 6.574 -7.819 730 HE3 MET 89 2HE MET 89 9.736 7.991 -6.913 731 H LEU 90 H LEU 90 9.052 1.840 -6.883 732 HA LEU 90 HA LEU 90 10.609 2.907 -4.683 733 HB2 LEU 90 2HB LEU 90 10.950 0.416 -6.362 734 HB3 LEU 90 1HB LEU 90 12.015 0.860 -5.044 735 HG LEU 90 HG LEU 90 10.530 -0.783 -4.200 736 HD11 LEU 90 1HD1 LEU 90 9.360 0.397 -2.413 737 HD12 LEU 90 2HD1 LEU 90 9.566 1.920 -3.277 738 HD13 LEU 90 3HD1 LEU 90 10.978 1.052 -2.673 739 HD21 LEU 90 3HD2 LEU 90 8.094 -0.602 -4.298 740 HD22 LEU 90 1HD2 LEU 90 8.797 -0.653 -5.913 741 HD23 LEU 90 2HD2 LEU 90 8.234 0.880 -5.245 742 H THR 91 H THR 91 12.005 4.485 -5.072 743 HA THR 91 HA THR 91 13.297 4.712 -7.682 744 HB THR 91 HB THR 91 13.574 6.554 -5.290 745 HG1 THR 91 HG1 THR 91 11.445 6.643 -5.955 746 HG21 THR 91 3HG2 THR 91 14.363 8.183 -6.946 747 HG22 THR 91 1HG2 THR 91 14.216 6.973 -8.220 748 HG23 THR 91 2HG2 THR 91 15.399 6.756 -6.928 749 H ASP 92 H ASP 92 15.057 3.533 -8.011 750 HA ASP 92 HA ASP 92 16.815 2.486 -6.090 751 HB2 ASP 92 2HB ASP 92 16.567 1.649 -8.410 752 HB3 ASP 92 1HB ASP 92 17.318 3.119 -9.018 753 H LYS 93 H LYS 93 18.572 3.356 -5.018 754 HA LYS 93 HA LYS 93 18.848 6.238 -5.213 755 HB2 LYS 93 2HB LYS 93 19.999 4.245 -3.264 756 HB3 LYS 93 1HB LYS 93 20.278 5.978 -3.166 757 HG2 LYS 93 2HG LYS 93 17.592 4.610 -3.001 758 HG3 LYS 93 1HG LYS 93 18.508 5.269 -1.643 759 HD2 LYS 93 2HD LYS 93 18.348 7.517 -2.644 760 HD3 LYS 93 1HD LYS 93 17.412 6.847 -3.982 761 HE2 LYS 93 2HE LYS 93 15.676 6.135 -2.384 762 HE3 LYS 93 1HE LYS 93 16.609 6.848 -1.068 763 HZ1 LYS 93 3HZ LYS 93 14.831 8.311 -1.842 764 HZ2 LYS 93 1HZ LYS 93 15.517 8.347 -3.389 765 HZ3 LYS 93 2HZ LYS 93 16.348 9.011 -2.078 766 H LYS 94 H LYS 94 20.680 3.584 -6.432 767 HA LYS 94 HA LYS 94 23.137 5.201 -6.567 768 HB2 LYS 94 2HB LYS 94 24.217 3.134 -7.400 769 HB3 LYS 94 1HB LYS 94 23.446 2.907 -5.834 770 HG2 LYS 94 2HG LYS 94 21.496 1.908 -7.002 771 HG3 LYS 94 1HG LYS 94 22.392 2.027 -8.516 772 HD2 LYS 94 2HD LYS 94 24.062 0.497 -7.718 773 HD3 LYS 94 1HD LYS 94 23.362 0.502 -6.096 774 HE2 LYS 94 2HE LYS 94 22.080 -0.572 -8.612 775 HE3 LYS 94 1HE LYS 94 22.705 -1.520 -7.262 776 HZ1 LYS 94 3HZ LYS 94 20.351 -1.351 -7.046 777 HZ2 LYS 94 1HZ LYS 94 20.379 0.330 -7.214 778 HZ3 LYS 94 2HZ LYS 94 21.039 -0.398 -5.837 779 H ASN 95 H ASN 95 20.573 4.024 -8.607 780 HA ASN 95 HA ASN 95 21.936 5.115 -10.996 781 HB2 ASN 95 2HB ASN 95 19.803 2.968 -10.816 782 HB3 ASN 95 1HB ASN 95 20.469 3.602 -12.316 783 HD21 ASN 95 1HD2 ASN 95 23.172 3.787 -11.448 784 HD22 ASN 95 2HD2 ASN 95 23.768 2.172 -11.287 785 H ASN 96 H ASN 96 19.300 5.538 -8.880 786 HA ASN 96 HA ASN 96 17.518 6.926 -8.811 787 HB2 ASN 96 2HB ASN 96 19.006 8.259 -11.078 788 HB3 ASN 96 1HB ASN 96 17.507 8.907 -10.412 789 HD21 ASN 96 1HD2 ASN 96 20.882 8.353 -9.841 790 HD22 ASN 96 2HD2 ASN 96 20.995 9.296 -8.399 791 H GLN 97 H GLN 97 17.414 4.474 -10.404 792 HA GLN 97 HA GLN 97 15.576 4.978 -12.586 793 HB2 GLN 97 2HB GLN 97 16.483 2.422 -11.233 794 HB3 GLN 97 1HB GLN 97 15.397 2.467 -12.614 795 HG2 GLN 97 2HG GLN 97 18.193 3.592 -12.634 796 HG3 GLN 97 1HG GLN 97 17.773 1.965 -13.166 797 HE21 GLN 97 1HE2 GLN 97 16.553 1.708 -15.052 798 HE22 GLN 97 2HE2 GLN 97 16.407 2.970 -16.222 799 H VAL 98 H VAL 98 13.347 4.788 -12.539 800 HA VAL 98 HA VAL 98 12.115 4.456 -9.892 801 HB VAL 98 HB VAL 98 11.491 6.490 -11.068 802 HG11 VAL 98 1HG1 VAL 98 10.401 4.702 -13.245 803 HG12 VAL 98 2HG1 VAL 98 11.790 5.783 -13.374 804 HG13 VAL 98 3HG1 VAL 98 10.174 6.449 -13.141 805 HG21 VAL 98 3HG2 VAL 98 9.050 6.286 -10.939 806 HG22 VAL 98 1HG2 VAL 98 9.841 5.475 -9.588 807 HG23 VAL 98 2HG2 VAL 98 9.195 4.529 -10.929 808 H TYR 99 H TYR 99 11.321 2.550 -9.350 809 HA TYR 99 HA TYR 99 10.335 0.721 -11.453 810 HB2 TYR 99 2HB TYR 99 12.294 -0.157 -10.288 811 HB3 TYR 99 1HB TYR 99 11.519 0.110 -8.730 812 HD1 TYR 99 HD2 TYR 99 11.234 -1.862 -11.879 813 HD2 TYR 99 HD1 TYR 99 10.178 -1.565 -7.762 814 HE1 TYR 99 HE2 TYR 99 10.284 -4.127 -11.960 815 HE2 TYR 99 HE1 TYR 99 9.230 -3.829 -7.837 816 HH TYR 99 HH TYR 99 9.780 -5.966 -10.408 817 H TYR 100 H TYR 100 8.251 -0.045 -11.319 818 HA TYR 100 HA TYR 100 6.613 0.954 -9.084 819 HB2 TYR 100 2HB TYR 100 5.789 -0.031 -11.829 820 HB3 TYR 100 1HB TYR 100 4.675 0.528 -10.584 821 HD1 TYR 100 HD2 TYR 100 5.116 2.952 -9.677 822 HD2 TYR 100 HD1 TYR 100 6.576 1.507 -13.412 823 HE1 TYR 100 HE2 TYR 100 5.367 5.264 -10.472 824 HE2 TYR 100 HE1 TYR 100 6.825 3.820 -14.212 825 HH TYR 100 HH TYR 100 5.919 6.041 -13.735 826 H LYS 101 H LYS 101 6.141 -0.438 -7.514 827 HA LYS 101 HA LYS 101 5.903 -3.318 -8.150 828 HB2 LYS 101 2HB LYS 101 7.753 -2.706 -6.609 829 HB3 LYS 101 1HB LYS 101 6.585 -1.996 -5.508 830 HG2 LYS 101 2HG LYS 101 6.936 -4.035 -4.520 831 HG3 LYS 101 1HG LYS 101 5.535 -4.401 -5.523 832 HD2 LYS 101 2HD LYS 101 8.372 -4.897 -6.428 833 HD3 LYS 101 1HD LYS 101 7.430 -6.099 -5.549 834 HE2 LYS 101 2HE LYS 101 6.653 -4.857 -8.191 835 HE3 LYS 101 1HE LYS 101 7.382 -6.448 -7.989 836 HZ1 LYS 101 3HZ LYS 101 4.799 -5.657 -6.766 837 HZ2 LYS 101 1HZ LYS 101 5.474 -7.205 -6.814 838 HZ3 LYS 101 2HZ LYS 101 4.933 -6.469 -8.239 839 H LEU 102 H LEU 102 3.849 -4.023 -8.169 840 HA LEU 102 HA LEU 102 1.773 -2.684 -6.623 841 HB2 LEU 102 2HB LEU 102 1.625 -5.071 -8.477 842 HB3 LEU 102 1HB LEU 102 0.243 -4.281 -7.739 843 HG LEU 102 HG LEU 102 2.130 -2.996 -9.728 844 HD11 LEU 102 1HD1 LEU 102 0.256 -3.121 -11.282 845 HD12 LEU 102 2HD1 LEU 102 -0.707 -3.967 -10.071 846 HD13 LEU 102 3HD1 LEU 102 0.733 -4.731 -10.743 847 HD21 LEU 102 3HD2 LEU 102 -0.426 -1.978 -8.475 848 HD22 LEU 102 1HD2 LEU 102 0.477 -1.176 -9.762 849 HD23 LEU 102 2HD2 LEU 102 1.200 -1.369 -8.165 850 H LEU 103 H LEU 103 1.499 -3.221 -4.544 851 HA LEU 103 HA LEU 103 2.258 -5.899 -3.596 852 HB2 LEU 103 2HB LEU 103 1.631 -3.347 -2.101 853 HB3 LEU 103 1HB LEU 103 2.053 -4.866 -1.332 854 HG LEU 103 HG LEU 103 3.872 -3.334 -3.203 855 HD11 LEU 103 1HD1 LEU 103 3.883 -3.488 -0.186 856 HD12 LEU 103 2HD1 LEU 103 3.492 -2.070 -1.159 857 HD13 LEU 103 3HD1 LEU 103 5.126 -2.730 -1.182 858 HD21 LEU 103 3HD2 LEU 103 5.609 -4.849 -2.375 859 HD22 LEU 103 1HD2 LEU 103 4.309 -5.743 -3.163 860 HD23 LEU 103 2HD2 LEU 103 4.411 -5.704 -1.401 861 H GLU 104 H GLU 104 0.543 -7.287 -3.877 862 HA GLU 104 HA GLU 104 -2.137 -6.455 -3.090 863 HB2 GLU 104 2HB GLU 104 -2.763 -8.813 -3.746 864 HB3 GLU 104 1HB GLU 104 -2.097 -7.818 -5.033 865 HG2 GLU 104 2HG GLU 104 0.092 -8.916 -4.709 866 HG3 GLU 104 1HG GLU 104 -0.639 -9.957 -3.487 867 H VAL 105 H VAL 105 -2.428 -6.282 -0.964 868 HA VAL 105 HA VAL 105 -1.500 -8.483 0.786 869 HB VAL 105 HB VAL 105 -1.100 -6.799 2.565 870 HG11 VAL 105 1HG1 VAL 105 0.457 -6.304 0.020 871 HG12 VAL 105 2HG1 VAL 105 0.773 -7.573 1.203 872 HG13 VAL 105 3HG1 VAL 105 0.984 -5.880 1.650 873 HG21 VAL 105 3HG2 VAL 105 -0.967 -4.410 1.942 874 HG22 VAL 105 1HG2 VAL 105 -2.604 -5.051 1.819 875 HG23 VAL 105 2HG2 VAL 105 -1.644 -4.802 0.361 876 H SER 106 H SER 106 -2.792 -8.989 2.591 877 HA SER 106 HA SER 106 -5.600 -8.166 2.372 878 HB2 SER 106 2HB SER 106 -4.317 -10.402 3.967 879 HB3 SER 106 1HB SER 106 -6.047 -10.071 3.908 880 HG SER 106 HG SER 106 -6.035 -11.329 2.233 881 H GLY 107 H GLY 107 -6.835 -7.889 4.452 882 HA2 GLY 107 2HA GLY 107 -6.421 -7.549 6.938 883 HA3 GLY 107 1HA GLY 107 -5.209 -6.387 6.426 884 H PHE 108 H PHE 108 -7.098 -5.586 4.162 885 HA PHE 108 HA PHE 108 -8.256 -3.367 5.558 886 HB2 PHE 108 2HB PHE 108 -8.560 -4.233 2.674 887 HB3 PHE 108 1HB PHE 108 -9.058 -2.675 3.324 888 HD1 PHE 108 HD1 PHE 108 -6.191 -4.778 2.400 889 HD2 PHE 108 HD2 PHE 108 -7.432 -0.966 3.842 890 HE1 PHE 108 HE1 PHE 108 -3.946 -3.879 1.960 891 HE2 PHE 108 HE2 PHE 108 -5.186 -0.067 3.400 892 HZ PHE 108 HZ PHE 108 -3.440 -1.521 2.460 893 H LYS 109 H LYS 109 -9.391 -6.484 4.992 894 HA LYS 109 HA LYS 109 -11.927 -6.064 6.149 895 HB2 LYS 109 2HB LYS 109 -11.794 -5.763 3.242 896 HB3 LYS 109 1HB LYS 109 -12.894 -7.052 3.706 897 HG2 LYS 109 2HG LYS 109 -13.023 -4.180 4.622 898 HG3 LYS 109 1HG LYS 109 -14.078 -4.956 3.439 899 HD2 LYS 109 2HD LYS 109 -14.712 -6.588 5.290 900 HD3 LYS 109 1HD LYS 109 -13.888 -5.494 6.402 901 HE2 LYS 109 2HE LYS 109 -16.210 -4.948 6.456 902 HE3 LYS 109 1HE LYS 109 -15.389 -3.661 5.575 903 HZ1 LYS 109 3HZ LYS 109 -16.112 -4.656 3.498 904 HZ2 LYS 109 1HZ LYS 109 -17.450 -4.350 4.489 905 HZ3 LYS 109 2HZ LYS 109 -16.858 -5.921 4.330 906 H SER 110 H SER 110 -13.388 -8.146 5.587 907 HA SER 110 HA SER 110 -12.165 -10.521 4.702 908 HB2 SER 110 2HB SER 110 -12.098 -11.739 6.926 909 HB3 SER 110 1HB SER 110 -10.827 -10.542 6.689 910 HG SER 110 HG SER 110 -11.665 -9.308 8.213 911 H ASN 111 H ASN 111 -14.141 -10.634 3.604 912 HA ASN 111 HA ASN 111 -16.454 -11.476 5.244 913 HB2 ASN 111 2HB ASN 111 -16.545 -9.579 2.879 914 HB3 ASN 111 1HB ASN 111 -17.953 -10.235 3.698 915 HD21 ASN 111 1HD2 ASN 111 -16.703 -10.001 6.353 916 HD22 ASN 111 2HD2 ASN 111 -16.757 -8.319 6.731 917 HA PRO 112 HA PRO 112 -15.289 -14.524 1.872 918 HB2 PRO 112 2HB PRO 112 -15.939 -16.764 3.341 919 HB3 PRO 112 1HB PRO 112 -14.347 -15.996 3.341 920 HG2 PRO 112 2HG PRO 112 -16.590 -15.712 5.308 921 HG3 PRO 112 1HG PRO 112 -14.849 -15.883 5.610 922 HD2 PRO 112 2HD PRO 112 -16.070 -13.491 5.755 923 HD3 PRO 112 1HD PRO 112 -14.416 -13.651 5.125 924 H TYR 113 H TYR 113 -18.052 -15.258 4.036 925 HA TYR 113 HA TYR 113 -19.666 -15.921 1.659 926 HB2 TYR 113 2HB TYR 113 -21.138 -17.060 3.475 927 HB3 TYR 113 1HB TYR 113 -19.623 -17.821 3.007 928 HD1 TYR 113 HD2 TYR 113 -20.887 -15.343 5.527 929 HD2 TYR 113 HD1 TYR 113 -18.235 -18.569 4.701 930 HE1 TYR 113 HE2 TYR 113 -20.136 -15.319 7.868 931 HE2 TYR 113 HE1 TYR 113 -17.479 -18.554 7.036 932 HH TYR 113 HH TYR 113 -19.097 -16.813 9.485 933 H LEU 114 H LEU 114 -19.225 -13.212 3.159 934 HA LEU 114 HA LEU 114 -22.007 -12.589 3.863 935 HB2 LEU 114 2HB LEU 114 -19.533 -10.886 4.134 936 HB3 LEU 114 1HB LEU 114 -21.121 -10.499 4.764 937 HG LEU 114 HG LEU 114 -19.368 -12.789 5.677 938 HD11 LEU 114 1HD1 LEU 114 -19.188 -11.515 7.765 939 HD12 LEU 114 2HD1 LEU 114 -20.098 -10.193 7.033 940 HD13 LEU 114 3HD1 LEU 114 -18.512 -10.631 6.396 941 HD21 LEU 114 3HD2 LEU 114 -21.044 -13.095 7.450 942 HD22 LEU 114 1HD2 LEU 114 -21.726 -13.374 5.848 943 HD23 LEU 114 2HD2 LEU 114 -22.057 -11.864 6.696 944 H GLU 115 H GLU 115 -19.749 -12.108 1.295 945 HA GLU 115 HA GLU 115 -20.819 -9.624 0.345 946 HB2 GLU 115 2HB GLU 115 -18.457 -10.407 -0.020 947 HB3 GLU 115 1HB GLU 115 -19.079 -11.582 -1.170 948 HG2 GLU 115 2HG GLU 115 -18.249 -9.687 -2.375 949 HG3 GLU 115 1HG GLU 115 -20.006 -9.721 -2.515 950 H HIS 116 H HIS 116 -22.880 -9.601 -0.332 951 HA HIS 116 HA HIS 116 -23.545 -11.225 -2.689 952 HB2 HIS 116 2HB HIS 116 -25.353 -10.855 -0.285 953 HB3 HIS 116 1HB HIS 116 -25.894 -11.484 -1.838 954 HD1 HIS 116 HD1 HIS 116 -24.510 -13.735 -2.624 955 HD2 HIS 116 HD2 HIS 116 -24.499 -12.789 1.421 956 HE1 HIS 116 HE1 HIS 116 -23.851 -15.848 -1.440 957 HE2 HIS 116 HE2 HIS 116 -24.053 -15.300 1.004 958 H HIS 117 H HIS 117 -25.038 -10.207 -4.156 959 HA HIS 117 HA HIS 117 -25.524 -7.356 -3.614 960 HB2 HIS 117 2HB HIS 117 -23.912 -8.488 -5.882 961 HB3 HIS 117 1HB HIS 117 -24.739 -6.940 -6.054 962 HD1 HIS 117 HD1 HIS 117 -23.887 -4.971 -4.638 963 HD2 HIS 117 HD2 HIS 117 -21.701 -8.464 -4.129 964 HE1 HIS 117 HE1 HIS 117 -21.832 -4.298 -3.358 965 HE2 HIS 117 HE2 HIS 117 -20.669 -6.471 -2.848 966 H HIS 118 H HIS 118 -26.854 -6.278 -5.312 967 HA HIS 118 HA HIS 118 -29.280 -7.888 -5.558 968 HB2 HIS 118 2HB HIS 118 -29.333 -5.731 -4.364 969 HB3 HIS 118 1HB HIS 118 -28.835 -4.904 -5.833 970 HD1 HIS 118 HD1 HIS 118 -31.784 -6.496 -4.189 971 HD2 HIS 118 HD2 HIS 118 -30.872 -4.547 -7.745 972 HE1 HIS 118 HE1 HIS 118 -33.995 -5.940 -5.238 973 HE2 HIS 118 HE2 HIS 118 -33.416 -4.586 -7.279 974 H HIS 119 H HIS 119 -29.920 -8.726 -7.437 975 HA HIS 119 HA HIS 119 -29.099 -7.457 -9.969 976 HB2 HIS 119 2HB HIS 119 -30.254 -10.202 -9.406 977 HB3 HIS 119 1HB HIS 119 -29.931 -9.580 -11.022 978 HD1 HIS 119 HD1 HIS 119 -27.607 -9.857 -11.902 979 HD2 HIS 119 HD2 HIS 119 -27.850 -10.559 -7.812 980 HE1 HIS 119 HE1 HIS 119 -25.350 -10.729 -11.232 981 HE2 HIS 119 HE2 HIS 119 -25.483 -11.029 -8.736 982 H HIS 120 H HIS 120 -32.034 -9.068 -8.673 983 HA HIS 120 HA HIS 120 -33.608 -6.750 -9.581 984 HB2 HIS 120 2HB HIS 120 -35.390 -8.161 -10.450 985 HB3 HIS 120 1HB HIS 120 -33.881 -8.530 -11.277 986 HD1 HIS 120 HD1 HIS 120 -33.053 -10.910 -11.160 987 HD2 HIS 120 HD2 HIS 120 -36.275 -10.214 -8.633 988 HE1 HIS 120 HE1 HIS 120 -33.775 -13.175 -10.355 989 HE2 HIS 120 HE2 HIS 120 -35.831 -12.737 -8.974 990 H HIS 121 H HIS 121 -35.797 -6.667 -8.542 991 HA HIS 121 HA HIS 121 -35.544 -7.355 -5.717 992 HB2 HIS 121 2HB HIS 121 -36.244 -5.066 -6.485 993 HB3 HIS 121 1HB HIS 121 -37.739 -5.776 -7.084 994 HD1 HIS 121 HD1 HIS 121 -39.366 -6.791 -5.234 995 HD2 HIS 121 HD2 HIS 121 -36.212 -4.503 -3.792 996 HE1 HIS 121 HE1 HIS 121 -39.970 -6.230 -2.865 997 HE2 HIS 121 HE2 HIS 121 -37.964 -5.010 -1.964 Start of MODEL 13 1 H1 MET 1 1H MET 1 29.899 -12.980 3.091 2 H2 MET 1 2H MET 1 28.873 -14.285 2.766 3 H3 MET 1 3H MET 1 30.196 -14.486 3.804 4 HA MET 1 HA MET 1 28.155 -14.352 5.060 5 HB2 MET 1 2HB MET 1 30.184 -13.516 6.108 6 HB3 MET 1 1HB MET 1 29.974 -11.946 5.346 7 HG2 MET 1 2HG MET 1 27.887 -11.634 6.634 8 HG3 MET 1 1HG MET 1 28.186 -13.174 7.442 9 HE1 MET 1 3HE MET 1 28.893 -10.372 10.161 10 HE2 MET 1 1HE MET 1 27.879 -11.751 9.739 11 HE3 MET 1 2HE MET 1 27.735 -10.242 8.837 12 H LEU 2 H LEU 2 28.715 -11.372 3.163 13 HA LEU 2 HA LEU 2 26.142 -10.279 3.954 14 HB2 LEU 2 2HB LEU 2 28.287 -9.245 2.096 15 HB3 LEU 2 1HB LEU 2 26.787 -8.394 2.406 16 HG LEU 2 HG LEU 2 27.436 -8.330 4.851 17 HD11 LEU 2 1HD1 LEU 2 30.107 -9.235 3.777 18 HD12 LEU 2 2HD1 LEU 2 29.057 -10.139 4.869 19 HD13 LEU 2 3HD1 LEU 2 29.802 -8.633 5.409 20 HD21 LEU 2 3HD2 LEU 2 28.980 -6.454 4.566 21 HD22 LEU 2 1HD2 LEU 2 27.670 -6.390 3.387 22 HD23 LEU 2 2HD2 LEU 2 29.271 -6.941 2.896 23 H SER 3 H SER 3 27.623 -11.450 0.939 24 HA SER 3 HA SER 3 26.780 -12.106 -1.061 25 HB2 SER 3 2HB SER 3 24.123 -12.167 0.397 26 HB3 SER 3 1HB SER 3 24.378 -12.766 -1.241 27 HG SER 3 HG SER 3 24.621 -14.169 0.873 28 H GLN 4 H GLN 4 24.185 -10.002 0.212 29 HA GLN 4 HA GLN 4 23.069 -8.241 -0.712 30 HB2 GLN 4 2HB GLN 4 24.441 -6.267 -0.967 31 HB3 GLN 4 1HB GLN 4 25.014 -7.222 0.392 32 HG2 GLN 4 2HG GLN 4 26.851 -8.077 -0.977 33 HG3 GLN 4 1HG GLN 4 26.272 -7.137 -2.352 34 HE21 GLN 4 1HE2 GLN 4 26.470 -4.880 -2.292 35 HE22 GLN 4 2HE2 GLN 4 27.563 -4.093 -1.208 36 H ALA 5 H ALA 5 23.476 -10.313 -2.702 37 HA ALA 5 HA ALA 5 24.086 -9.058 -5.215 38 HB1 ALA 5 3HB ALA 5 24.399 -11.458 -4.915 39 HB2 ALA 5 1HB ALA 5 23.248 -11.142 -6.213 40 HB3 ALA 5 2HB ALA 5 22.672 -11.666 -4.630 41 H ASN 6 H ASN 6 22.454 -8.890 -7.008 42 HA ASN 6 HA ASN 6 20.341 -7.210 -6.299 43 HB2 ASN 6 2HB ASN 6 20.738 -8.795 -8.839 44 HB3 ASN 6 1HB ASN 6 19.508 -7.550 -8.636 45 HD21 ASN 6 1HD2 ASN 6 22.899 -8.193 -8.879 46 HD22 ASN 6 2HD2 ASN 6 23.388 -6.571 -9.195 47 H GLU 7 H GLU 7 20.415 -10.686 -6.589 48 HA GLU 7 HA GLU 7 17.642 -11.196 -6.608 49 HB2 GLU 7 2HB GLU 7 18.240 -13.444 -5.796 50 HB3 GLU 7 1HB GLU 7 19.249 -12.932 -7.141 51 HG2 GLU 7 2HG GLU 7 21.033 -12.329 -5.538 52 HG3 GLU 7 1HG GLU 7 20.028 -12.944 -4.226 53 H ASP 8 H ASP 8 19.881 -10.551 -3.964 54 HA ASP 8 HA ASP 8 18.043 -11.163 -1.861 55 HB2 ASP 8 2HB ASP 8 20.493 -11.186 -1.544 56 HB3 ASP 8 1HB ASP 8 20.546 -9.450 -1.834 57 H PHE 9 H PHE 9 19.107 -8.147 -3.422 58 HA PHE 9 HA PHE 9 17.501 -6.386 -1.932 59 HB2 PHE 9 2HB PHE 9 18.745 -6.187 -4.665 60 HB3 PHE 9 1HB PHE 9 17.739 -4.892 -4.028 61 HD1 PHE 9 HD2 PHE 9 20.935 -6.660 -3.690 62 HD2 PHE 9 HD1 PHE 9 18.477 -3.526 -2.176 63 HE1 PHE 9 HE2 PHE 9 22.859 -5.736 -2.470 64 HE2 PHE 9 HE1 PHE 9 20.402 -2.599 -0.955 65 HZ PHE 9 HZ PHE 9 22.596 -3.708 -1.100 66 H LYS 10 H LYS 10 16.809 -7.947 -5.099 67 HA LYS 10 HA LYS 10 14.278 -6.795 -5.459 68 HB2 LYS 10 2HB LYS 10 13.812 -8.490 -7.081 69 HB3 LYS 10 1HB LYS 10 15.519 -8.090 -7.214 70 HG2 LYS 10 2HG LYS 10 16.142 -10.111 -6.072 71 HG3 LYS 10 1HG LYS 10 14.455 -10.480 -5.712 72 HD2 LYS 10 2HD LYS 10 14.007 -10.659 -8.141 73 HD3 LYS 10 1HD LYS 10 15.718 -10.365 -8.457 74 HE2 LYS 10 2HE LYS 10 16.319 -12.403 -7.283 75 HE3 LYS 10 1HE LYS 10 14.637 -12.682 -6.840 76 HZ1 LYS 10 3HZ LYS 10 15.318 -14.029 -8.733 77 HZ2 LYS 10 1HZ LYS 10 15.694 -12.637 -9.615 78 HZ3 LYS 10 2HZ LYS 10 14.096 -12.947 -9.170 79 H LYS 11 H LYS 11 15.251 -9.669 -3.634 80 HA LYS 11 HA LYS 11 12.731 -10.623 -2.898 81 HB2 LYS 11 2HB LYS 11 14.780 -11.850 -2.383 82 HB3 LYS 11 1HB LYS 11 15.302 -10.572 -1.294 83 HG2 LYS 11 2HG LYS 11 13.478 -11.061 0.223 84 HG3 LYS 11 1HG LYS 11 12.836 -12.266 -0.897 85 HD2 LYS 11 2HD LYS 11 15.544 -12.407 0.445 86 HD3 LYS 11 1HD LYS 11 14.101 -13.272 0.979 87 HE2 LYS 11 2HE LYS 11 15.476 -13.593 -1.695 88 HE3 LYS 11 1HE LYS 11 15.569 -14.718 -0.341 89 HZ1 LYS 11 3HZ LYS 11 13.083 -14.000 -1.798 90 HZ2 LYS 11 1HZ LYS 11 13.207 -15.120 -0.536 91 HZ3 LYS 11 2HZ LYS 11 13.962 -15.423 -2.016 92 H ILE 12 H ILE 12 14.802 -8.247 -1.206 93 HA ILE 12 HA ILE 12 13.048 -7.505 0.827 94 HB ILE 12 HB ILE 12 15.014 -5.735 -0.652 95 HG12 ILE 12 2HG1 ILE 12 15.337 -7.341 1.904 96 HG13 ILE 12 1HG1 ILE 12 16.035 -7.758 0.342 97 HG21 ILE 12 1HG2 ILE 12 13.419 -4.384 0.598 98 HG22 ILE 12 2HG2 ILE 12 15.001 -4.336 1.376 99 HG23 ILE 12 3HG2 ILE 12 13.717 -5.339 2.052 100 HD11 ILE 12 3HD1 ILE 12 16.693 -5.326 1.993 101 HD12 ILE 12 1HD1 ILE 12 17.371 -5.705 0.408 102 HD13 ILE 12 2HD1 ILE 12 17.695 -6.762 1.781 103 H VAL 13 H VAL 13 13.274 -6.257 -2.496 104 HA VAL 13 HA VAL 13 11.331 -4.233 -2.309 105 HB VAL 13 HB VAL 13 12.083 -5.874 -4.744 106 HG11 VAL 13 1HG1 VAL 13 10.677 -3.199 -4.554 107 HG12 VAL 13 2HG1 VAL 13 9.965 -4.718 -5.099 108 HG13 VAL 13 3HG1 VAL 13 11.241 -3.953 -6.045 109 HG21 VAL 13 3HG2 VAL 13 13.569 -3.969 -5.274 110 HG22 VAL 13 1HG2 VAL 13 14.020 -4.776 -3.770 111 HG23 VAL 13 2HG2 VAL 13 13.159 -3.238 -3.722 112 H ASN 14 H ASN 14 10.957 -7.688 -3.125 113 HA ASN 14 HA ASN 14 8.093 -7.411 -3.467 114 HB2 ASN 14 2HB ASN 14 9.911 -9.824 -3.397 115 HB3 ASN 14 1HB ASN 14 8.162 -9.951 -3.566 116 HD21 ASN 14 1HD2 ASN 14 11.120 -9.041 -5.109 117 HD22 ASN 14 2HD2 ASN 14 10.461 -8.842 -6.691 118 H ASN 15 H ASN 15 10.235 -8.055 -0.826 119 HA ASN 15 HA ASN 15 8.125 -9.122 0.885 120 HB2 ASN 15 2HB ASN 15 11.061 -8.572 1.354 121 HB3 ASN 15 1HB ASN 15 9.973 -9.062 2.648 122 HD21 ASN 15 1HD2 ASN 15 9.797 -10.245 -0.659 123 HD22 ASN 15 2HD2 ASN 15 10.242 -11.870 -0.282 124 H ILE 16 H ILE 16 8.692 -6.122 -0.184 125 HA ILE 16 HA ILE 16 8.762 -4.483 2.078 126 HB ILE 16 HB ILE 16 7.426 -4.004 -0.595 127 HG12 ILE 16 2HG1 ILE 16 10.068 -3.055 0.563 128 HG13 ILE 16 1HG1 ILE 16 9.864 -4.270 -0.692 129 HG21 ILE 16 1HG2 ILE 16 7.397 -1.610 0.009 130 HG22 ILE 16 2HG2 ILE 16 7.923 -2.026 1.639 131 HG23 ILE 16 3HG2 ILE 16 6.355 -2.577 1.052 132 HD11 ILE 16 3HD1 ILE 16 9.143 -1.357 -0.925 133 HD12 ILE 16 1HD1 ILE 16 8.937 -2.576 -2.185 134 HD13 ILE 16 2HD1 ILE 16 10.554 -2.145 -1.629 135 H ARG 17 H ARG 17 7.496 -4.951 3.790 136 HA ARG 17 HA ARG 17 4.610 -5.346 3.373 137 HB2 ARG 17 2HB ARG 17 6.158 -6.874 4.847 138 HB3 ARG 17 1HB ARG 17 5.984 -5.598 6.042 139 HG2 ARG 17 2HG ARG 17 4.372 -7.352 6.455 140 HG3 ARG 17 1HG ARG 17 3.538 -5.877 5.965 141 HD2 ARG 17 2HD ARG 17 3.280 -6.735 3.708 142 HD3 ARG 17 1HD ARG 17 4.201 -8.180 4.120 143 HE ARG 17 HE ARG 17 1.894 -7.840 5.781 144 HH11 ARG 17 1HH1 ARG 17 3.008 -9.075 2.751 145 HH12 ARG 17 2HH1 ARG 17 1.613 -10.077 2.533 146 HH21 ARG 17 1HH2 ARG 17 0.127 -9.144 5.487 147 HH22 ARG 17 2HH2 ARG 17 0.013 -10.118 4.061 148 H LEU 18 H LEU 18 3.079 -3.967 4.251 149 HA LEU 18 HA LEU 18 3.926 -1.271 4.733 150 HB2 LEU 18 2HB LEU 18 1.376 -0.955 5.111 151 HB3 LEU 18 1HB LEU 18 1.986 -1.313 3.511 152 HG LEU 18 HG LEU 18 1.332 -3.701 3.834 153 HD11 LEU 18 1HD1 LEU 18 0.006 -2.702 6.355 154 HD12 LEU 18 2HD1 LEU 18 1.376 -3.812 6.268 155 HD13 LEU 18 3HD1 LEU 18 -0.197 -4.303 5.638 156 HD21 LEU 18 3HD2 LEU 18 -1.080 -3.318 3.564 157 HD22 LEU 18 1HD2 LEU 18 -0.115 -2.179 2.624 158 HD23 LEU 18 2HD2 LEU 18 -0.873 -1.661 4.130 159 H LYS 19 H LYS 19 5.073 -2.631 6.724 160 HA LYS 19 HA LYS 19 4.253 -1.252 9.045 161 HB2 LYS 19 2HB LYS 19 2.511 -2.958 9.174 162 HB3 LYS 19 1HB LYS 19 3.707 -4.236 9.008 163 HG2 LYS 19 2HG LYS 19 4.671 -3.638 11.170 164 HG3 LYS 19 1HG LYS 19 3.516 -2.315 11.331 165 HD2 LYS 19 2HD LYS 19 2.796 -5.245 11.127 166 HD3 LYS 19 1HD LYS 19 2.845 -4.307 12.622 167 HE2 LYS 19 2HE LYS 19 1.114 -2.812 11.723 168 HE3 LYS 19 1HE LYS 19 1.052 -3.776 10.248 169 HZ1 LYS 19 3HZ LYS 19 0.376 -4.732 12.975 170 HZ2 LYS 19 1HZ LYS 19 0.330 -5.667 11.564 171 HZ3 LYS 19 2HZ LYS 19 -0.727 -4.363 11.745 172 H ASP 20 H ASP 20 5.956 -4.073 7.789 173 HA ASP 20 HA ASP 20 8.082 -3.849 9.758 174 HB2 ASP 20 2HB ASP 20 7.193 -6.058 9.081 175 HB3 ASP 20 1HB ASP 20 7.744 -5.763 7.436 176 H THR 21 H THR 21 7.553 -3.174 6.338 177 HA THR 21 HA THR 21 10.375 -2.436 5.974 178 HB THR 21 HB THR 21 8.206 -2.506 3.860 179 HG1 THR 21 HG1 THR 21 9.864 -4.484 3.468 180 HG21 THR 21 3HG2 THR 21 10.139 -1.107 3.270 181 HG22 THR 21 1HG2 THR 21 10.095 -2.571 2.287 182 HG23 THR 21 2HG2 THR 21 11.227 -2.448 3.633 183 H PHE 22 H PHE 22 7.127 -1.016 5.775 184 HA PHE 22 HA PHE 22 8.189 1.593 6.425 185 HB2 PHE 22 2HB PHE 22 7.496 2.779 4.486 186 HB3 PHE 22 1HB PHE 22 8.373 1.380 3.879 187 HD1 PHE 22 HD1 PHE 22 6.878 -0.716 3.296 188 HD2 PHE 22 HD2 PHE 22 5.430 3.282 3.597 189 HE1 PHE 22 HE1 PHE 22 4.930 -1.317 1.917 190 HE2 PHE 22 HE2 PHE 22 3.484 2.684 2.223 191 HZ PHE 22 HZ PHE 22 3.230 0.382 1.381 192 H ASP 23 H ASP 23 6.532 3.098 7.051 193 HA ASP 23 HA ASP 23 3.860 1.882 7.462 194 HB2 ASP 23 2HB ASP 23 5.257 3.928 9.208 195 HB3 ASP 23 1HB ASP 23 3.659 3.254 9.492 196 H PHE 24 H PHE 24 2.431 2.815 6.072 197 HA PHE 24 HA PHE 24 2.838 5.604 5.282 198 HB2 PHE 24 2HB PHE 24 1.318 5.213 3.459 199 HB3 PHE 24 1HB PHE 24 2.471 3.891 3.512 200 HD1 PHE 24 HD1 PHE 24 1.695 1.710 4.673 201 HD2 PHE 24 HD2 PHE 24 -0.964 4.779 3.382 202 HE1 PHE 24 HE1 PHE 24 -0.159 0.096 4.650 203 HE2 PHE 24 HE2 PHE 24 -2.820 3.165 3.363 204 HZ PHE 24 HZ PHE 24 -2.420 0.819 3.996 205 H LYS 25 H LYS 25 1.700 7.226 6.111 206 HA LYS 25 HA LYS 25 -0.651 6.620 7.782 207 HB2 LYS 25 2HB LYS 25 1.272 7.815 8.833 208 HB3 LYS 25 1HB LYS 25 1.027 9.143 7.707 209 HG2 LYS 25 2HG LYS 25 -1.301 9.367 8.640 210 HG3 LYS 25 1HG LYS 25 -0.838 8.203 9.880 211 HD2 LYS 25 2HD LYS 25 0.464 10.889 9.379 212 HD3 LYS 25 1HD LYS 25 -0.646 10.506 10.693 213 HE2 LYS 25 2HE LYS 25 1.482 10.408 11.668 214 HE3 LYS 25 1HE LYS 25 1.053 8.722 11.387 215 HZ1 LYS 25 3HZ LYS 25 2.790 10.359 9.614 216 HZ2 LYS 25 1HZ LYS 25 2.441 8.714 9.430 217 HZ3 LYS 25 2HZ LYS 25 3.346 9.237 10.754 218 H LEU 26 H LEU 26 -2.616 7.523 7.401 219 HA LEU 26 HA LEU 26 -2.994 8.894 4.845 220 HB2 LEU 26 2HB LEU 26 -4.878 7.547 6.777 221 HB3 LEU 26 1HB LEU 26 -5.458 8.513 5.439 222 HG LEU 26 HG LEU 26 -5.559 6.197 4.816 223 HD11 LEU 26 1HD1 LEU 26 -4.164 6.186 2.797 224 HD12 LEU 26 2HD1 LEU 26 -3.256 7.563 3.420 225 HD13 LEU 26 3HD1 LEU 26 -4.970 7.735 3.036 226 HD21 LEU 26 3HD2 LEU 26 -2.605 6.044 5.438 227 HD22 LEU 26 1HD2 LEU 26 -3.574 4.764 4.709 228 HD23 LEU 26 2HD2 LEU 26 -3.904 5.287 6.359 229 H ALA 27 H ALA 27 -3.378 11.031 4.701 230 HA ALA 27 HA ALA 27 -2.939 12.732 6.877 231 HB1 ALA 27 3HB ALA 27 -3.468 14.559 5.370 232 HB2 ALA 27 1HB ALA 27 -4.227 13.432 4.244 233 HB3 ALA 27 2HB ALA 27 -2.493 13.340 4.548 234 H ALA 28 H ALA 28 -6.037 11.783 5.389 235 HA ALA 28 HA ALA 28 -7.619 13.619 6.887 236 HB1 ALA 28 3HB ALA 28 -8.392 12.618 4.783 237 HB2 ALA 28 1HB ALA 28 -9.543 12.366 6.095 238 HB3 ALA 28 2HB ALA 28 -8.495 11.046 5.576 239 H PHE 29 H PHE 29 -6.099 10.698 7.771 240 HA PHE 29 HA PHE 29 -7.552 10.690 10.333 241 HB2 PHE 29 2HB PHE 29 -6.799 8.171 8.818 242 HB3 PHE 29 1HB PHE 29 -7.573 8.242 10.396 243 HD1 PHE 29 HD1 PHE 29 -9.866 9.562 10.438 244 HD2 PHE 29 HD2 PHE 29 -8.112 7.836 6.956 245 HE1 PHE 29 HE1 PHE 29 -12.077 9.487 9.363 246 HE2 PHE 29 HE2 PHE 29 -10.322 7.765 5.878 247 HZ PHE 29 HZ PHE 29 -12.306 8.590 7.080 248 HA PRO 30 HA PRO 30 -2.922 10.891 10.792 249 HB2 PRO 30 2HB PRO 30 -2.905 12.632 12.891 250 HB3 PRO 30 1HB PRO 30 -2.998 13.147 11.203 251 HG2 PRO 30 2HG PRO 30 -5.203 12.841 13.214 252 HG3 PRO 30 1HG PRO 30 -4.922 14.150 12.048 253 HD2 PRO 30 2HD PRO 30 -6.730 12.185 11.601 254 HD3 PRO 30 1HD PRO 30 -5.814 12.943 10.284 255 H ASN 31 H ASN 31 -5.402 9.618 12.668 256 HA ASN 31 HA ASN 31 -3.474 8.453 14.590 257 HB2 ASN 31 2HB ASN 31 -6.393 9.082 15.113 258 HB3 ASN 31 1HB ASN 31 -5.256 8.389 16.266 259 HD21 ASN 31 1HD2 ASN 31 -6.180 11.237 14.525 260 HD22 ASN 31 2HD2 ASN 31 -5.283 12.357 15.484 261 H GLN 32 H GLN 32 -4.662 7.529 11.907 262 HA GLN 32 HA GLN 32 -6.397 5.334 12.648 263 HB2 GLN 32 2HB GLN 32 -6.516 4.840 10.272 264 HB3 GLN 32 1HB GLN 32 -6.790 6.544 10.564 265 HG2 GLN 32 2HG GLN 32 -5.455 6.552 8.677 266 HG3 GLN 32 1HG GLN 32 -4.295 6.834 9.968 267 HE21 GLN 32 1HE2 GLN 32 -5.511 4.483 7.686 268 HE22 GLN 32 2HE2 GLN 32 -4.139 3.441 7.743 269 H ASN 33 H ASN 33 -5.906 3.177 11.420 270 HA ASN 33 HA ASN 33 -3.080 2.489 11.321 271 HB2 ASN 33 2HB ASN 33 -3.908 1.936 13.646 272 HB3 ASN 33 1HB ASN 33 -5.027 0.793 12.905 273 HD21 ASN 33 1HD2 ASN 33 -1.714 1.481 13.638 274 HD22 ASN 33 2HD2 ASN 33 -1.093 -0.087 13.267 275 H TYR 34 H TYR 34 -2.701 1.320 9.539 276 HA TYR 34 HA TYR 34 -4.579 0.912 7.568 277 HB2 TYR 34 2HB TYR 34 -2.734 -0.887 6.774 278 HB3 TYR 34 1HB TYR 34 -2.519 0.853 6.625 279 HD1 TYR 34 HD1 TYR 34 -2.059 -1.688 9.344 280 HD2 TYR 34 HD2 TYR 34 -0.389 1.569 7.172 281 HE1 TYR 34 HE1 TYR 34 -0.030 -1.824 10.707 282 HE2 TYR 34 HE2 TYR 34 1.655 1.437 8.537 283 HH TYR 34 HH TYR 34 2.587 0.527 10.400 284 H ASP 35 H ASP 35 -3.674 -1.415 10.086 285 HA ASP 35 HA ASP 35 -4.925 -3.692 8.995 286 HB2 ASP 35 2HB ASP 35 -4.323 -2.885 11.841 287 HB3 ASP 35 1HB ASP 35 -5.094 -4.418 11.454 288 H GLN 36 H GLN 36 -6.436 -0.840 9.936 289 HA GLN 36 HA GLN 36 -8.986 -2.227 10.479 290 HB2 GLN 36 2HB GLN 36 -7.875 0.142 12.000 291 HB3 GLN 36 1HB GLN 36 -9.489 -0.521 12.215 292 HG2 GLN 36 2HG GLN 36 -8.571 -2.606 13.027 293 HG3 GLN 36 1HG GLN 36 -6.933 -2.049 12.694 294 HE21 GLN 36 1HE2 GLN 36 -5.995 -0.530 14.062 295 HE22 GLN 36 2HE2 GLN 36 -6.646 -0.165 15.617 296 H LEU 37 H LEU 37 -7.759 -0.558 8.124 297 HA LEU 37 HA LEU 37 -9.977 1.394 7.932 298 HB2 LEU 37 2HB LEU 37 -7.127 1.555 7.122 299 HB3 LEU 37 1HB LEU 37 -8.287 2.300 6.039 300 HG LEU 37 HG LEU 37 -7.315 3.903 7.650 301 HD11 LEU 37 1HD1 LEU 37 -10.271 3.417 8.022 302 HD12 LEU 37 2HD1 LEU 37 -9.519 4.333 6.715 303 HD13 LEU 37 3HD1 LEU 37 -9.417 4.921 8.373 304 HD21 LEU 37 3HD2 LEU 37 -7.998 3.796 10.020 305 HD22 LEU 37 1HD2 LEU 37 -6.965 2.445 9.552 306 HD23 LEU 37 2HD2 LEU 37 -8.704 2.207 9.730 307 H LEU 38 H LEU 38 -11.328 1.394 6.229 308 HA LEU 38 HA LEU 38 -11.442 -0.889 4.510 309 HB2 LEU 38 2HB LEU 38 -12.990 1.708 4.377 310 HB3 LEU 38 1HB LEU 38 -13.375 0.250 3.485 311 HG LEU 38 HG LEU 38 -13.468 0.547 6.496 312 HD11 LEU 38 1HD1 LEU 38 -15.271 1.763 5.399 313 HD12 LEU 38 2HD1 LEU 38 -15.894 0.335 6.225 314 HD13 LEU 38 3HD1 LEU 38 -15.699 0.323 4.471 315 HD21 LEU 38 3HD2 LEU 38 -12.850 -1.717 5.841 316 HD22 LEU 38 1HD2 LEU 38 -14.225 -1.789 4.738 317 HD23 LEU 38 2HD2 LEU 38 -14.494 -1.677 6.478 318 HA PRO 39 HA PRO 39 -8.830 0.331 1.166 319 HB2 PRO 39 2HB PRO 39 -10.238 -0.738 -0.966 320 HB3 PRO 39 1HB PRO 39 -9.161 -1.651 0.094 321 HG2 PRO 39 2HG PRO 39 -12.144 -1.405 0.177 322 HG3 PRO 39 1HG PRO 39 -11.128 -2.837 0.431 323 HD2 PRO 39 2HD PRO 39 -12.218 -1.516 2.496 324 HD3 PRO 39 1HD PRO 39 -10.592 -2.225 2.611 325 H SER 40 H SER 40 -12.316 0.966 0.646 326 HA SER 40 HA SER 40 -12.017 2.901 -1.396 327 HB2 SER 40 2HB SER 40 -14.300 3.584 -0.885 328 HB3 SER 40 1HB SER 40 -14.189 1.827 -0.801 329 HG SER 40 HG SER 40 -15.231 2.335 1.021 330 H GLN 41 H GLN 41 -12.173 3.219 2.124 331 HA GLN 41 HA GLN 41 -12.148 6.023 2.284 332 HB2 GLN 41 2HB GLN 41 -10.971 4.062 4.270 333 HB3 GLN 41 1HB GLN 41 -11.434 5.726 4.602 334 HG2 GLN 41 2HG GLN 41 -13.272 3.445 3.885 335 HG3 GLN 41 1HG GLN 41 -13.110 4.224 5.459 336 HE21 GLN 41 1HE2 GLN 41 -14.411 4.485 2.254 337 HE22 GLN 41 2HE2 GLN 41 -15.413 5.859 2.562 338 H ILE 42 H ILE 42 -9.476 3.683 2.285 339 HA ILE 42 HA ILE 42 -7.373 5.531 2.614 340 HB ILE 42 HB ILE 42 -7.310 2.849 1.206 341 HG12 ILE 42 2HG1 ILE 42 -6.712 3.586 4.090 342 HG13 ILE 42 1HG1 ILE 42 -8.137 2.717 3.531 343 HG21 ILE 42 1HG2 ILE 42 -5.358 4.180 0.636 344 HG22 ILE 42 2HG2 ILE 42 -4.895 2.878 1.732 345 HG23 ILE 42 3HG2 ILE 42 -5.063 4.526 2.340 346 HD11 ILE 42 3HD1 ILE 42 -5.289 1.754 3.396 347 HD12 ILE 42 1HD1 ILE 42 -6.690 0.887 2.763 348 HD13 ILE 42 2HD1 ILE 42 -6.549 1.191 4.494 349 H TYR 43 H TYR 43 -8.826 4.176 -0.359 350 HA TYR 43 HA TYR 43 -7.199 5.445 -2.237 351 HB2 TYR 43 2HB TYR 43 -8.719 3.736 -2.958 352 HB3 TYR 43 1HB TYR 43 -10.112 4.650 -2.391 353 HD1 TYR 43 HD1 TYR 43 -7.305 4.828 -4.863 354 HD2 TYR 43 HD2 TYR 43 -11.280 6.033 -3.887 355 HE1 TYR 43 HE1 TYR 43 -7.539 5.863 -7.085 356 HE2 TYR 43 HE2 TYR 43 -11.515 7.066 -6.104 357 HH TYR 43 HH TYR 43 -9.293 6.530 -8.636 358 H LYS 44 H LYS 44 -10.273 6.631 -0.842 359 HA LYS 44 HA LYS 44 -10.226 9.126 -2.197 360 HB2 LYS 44 2HB LYS 44 -11.632 8.276 0.346 361 HB3 LYS 44 1HB LYS 44 -11.916 9.810 -0.468 362 HG2 LYS 44 2HG LYS 44 -12.361 7.097 -1.711 363 HG3 LYS 44 1HG LYS 44 -13.620 8.088 -0.975 364 HD2 LYS 44 2HD LYS 44 -11.898 9.106 -3.233 365 HD3 LYS 44 1HD LYS 44 -13.372 8.187 -3.525 366 HE2 LYS 44 2HE LYS 44 -13.913 10.510 -3.674 367 HE3 LYS 44 1HE LYS 44 -14.620 9.887 -2.188 368 HZ1 LYS 44 3HZ LYS 44 -12.849 10.899 -0.929 369 HZ2 LYS 44 1HZ LYS 44 -13.573 12.069 -1.913 370 HZ3 LYS 44 2HZ LYS 44 -12.074 11.417 -2.344 371 H ASN 45 H ASN 45 -8.786 8.016 0.788 372 HA ASN 45 HA ASN 45 -8.205 10.594 1.871 373 HB2 ASN 45 2HB ASN 45 -8.372 8.295 3.057 374 HB3 ASN 45 1HB ASN 45 -6.704 8.071 2.548 375 HD21 ASN 45 1HD2 ASN 45 -7.968 8.375 5.202 376 HD22 ASN 45 2HD2 ASN 45 -7.106 9.656 5.968 377 H TYR 46 H TYR 46 -6.600 8.493 -0.398 378 HA TYR 46 HA TYR 46 -3.998 9.378 -0.436 379 HB2 TYR 46 2HB TYR 46 -4.653 7.662 -1.961 380 HB3 TYR 46 1HB TYR 46 -5.857 8.695 -2.719 381 HD1 TYR 46 HD1 TYR 46 -2.186 8.205 -2.317 382 HD2 TYR 46 HD2 TYR 46 -5.293 10.044 -4.587 383 HE1 TYR 46 HE1 TYR 46 -0.543 8.879 -4.016 384 HE2 TYR 46 HE2 TYR 46 -3.654 10.718 -6.290 385 HH TYR 46 HH TYR 46 -0.547 9.458 -6.459 386 H TYR 47 H TYR 47 -6.826 11.019 -1.796 387 HA TYR 47 HA TYR 47 -5.342 13.110 -3.055 388 HB2 TYR 47 2HB TYR 47 -8.284 12.963 -2.351 389 HB3 TYR 47 1HB TYR 47 -7.549 14.150 -3.427 390 HD1 TYR 47 HD2 TYR 47 -6.742 13.491 -5.649 391 HD2 TYR 47 HD1 TYR 47 -8.619 10.662 -3.075 392 HE1 TYR 47 HE2 TYR 47 -7.018 11.951 -7.544 393 HE2 TYR 47 HE1 TYR 47 -8.895 9.116 -4.966 394 HH TYR 47 HH TYR 47 -9.020 9.230 -7.440 395 H GLN 48 H GLN 48 -6.140 12.573 0.187 396 HA GLN 48 HA GLN 48 -5.964 15.392 0.941 397 HB2 GLN 48 2HB GLN 48 -6.261 12.880 2.611 398 HB3 GLN 48 1HB GLN 48 -6.175 14.503 3.281 399 HG2 GLN 48 2HG GLN 48 -8.301 13.492 1.397 400 HG3 GLN 48 1HG GLN 48 -8.477 13.685 3.140 401 HE21 GLN 48 1HE2 GLN 48 -8.601 15.782 4.004 402 HE22 GLN 48 2HE2 GLN 48 -8.947 17.158 3.017 403 H GLY 49 H GLY 49 -4.035 12.422 1.108 404 HA2 GLY 49 2HA GLY 49 -1.572 13.197 0.674 405 HA3 GLY 49 1HA GLY 49 -1.778 13.929 2.255 406 H ILE 50 H ILE 50 0.051 11.772 1.284 407 HA ILE 50 HA ILE 50 -0.552 9.840 3.432 408 HB ILE 50 HB ILE 50 0.519 9.110 0.690 409 HG12 ILE 50 2HG1 ILE 50 -2.108 8.403 2.034 410 HG13 ILE 50 1HG1 ILE 50 -1.909 9.523 0.691 411 HG21 ILE 50 1HG2 ILE 50 1.580 7.775 2.429 412 HG22 ILE 50 2HG2 ILE 50 0.466 6.784 1.488 413 HG23 ILE 50 3HG2 ILE 50 0.004 7.349 3.094 414 HD11 ILE 50 3HD1 ILE 50 -1.355 6.563 0.626 415 HD12 ILE 50 1HD1 ILE 50 -1.137 7.682 -0.720 416 HD13 ILE 50 2HD1 ILE 50 -2.751 7.387 -0.072 417 H GLU 51 H GLU 51 1.098 9.626 4.838 418 HA GLU 51 HA GLU 51 3.752 10.656 4.113 419 HB2 GLU 51 2HB GLU 51 2.642 9.805 6.799 420 HB3 GLU 51 1HB GLU 51 4.268 10.411 6.538 421 HG2 GLU 51 2HG GLU 51 3.157 12.526 5.632 422 HG3 GLU 51 1HG GLU 51 1.666 11.896 6.336 423 H ILE 52 H ILE 52 5.475 9.361 3.752 424 HA ILE 52 HA ILE 52 5.165 6.462 4.199 425 HB ILE 52 HB ILE 52 7.183 7.925 2.473 426 HG12 ILE 52 2HG1 ILE 52 4.896 8.066 1.571 427 HG13 ILE 52 1HG1 ILE 52 5.902 7.026 0.571 428 HG21 ILE 52 1HG2 ILE 52 7.725 5.680 1.597 429 HG22 ILE 52 2HG2 ILE 52 6.654 4.965 2.802 430 HG23 ILE 52 3HG2 ILE 52 8.100 5.837 3.314 431 HD11 ILE 52 3HD1 ILE 52 4.887 5.056 1.616 432 HD12 ILE 52 1HD1 ILE 52 3.689 6.091 0.840 433 HD13 ILE 52 2HD1 ILE 52 3.867 6.111 2.594 434 H GLN 53 H GLN 53 5.906 5.889 6.163 435 HA GLN 53 HA GLN 53 8.239 7.176 7.337 436 HB2 GLN 53 2HB GLN 53 6.452 6.762 8.860 437 HB3 GLN 53 1HB GLN 53 6.295 5.095 8.336 438 HG2 GLN 53 2HG GLN 53 7.320 5.252 10.541 439 HG3 GLN 53 1HG GLN 53 8.425 4.538 9.368 440 HE21 GLN 53 1HE2 GLN 53 10.257 5.064 10.487 441 HE22 GLN 53 2HE2 GLN 53 10.821 6.685 10.669 442 H GLN 54 H GLN 54 10.255 6.342 7.434 443 HA GLN 54 HA GLN 54 10.874 4.051 5.806 444 HB2 GLN 54 2HB GLN 54 12.649 5.804 7.522 445 HB3 GLN 54 1HB GLN 54 13.228 4.574 6.405 446 HG2 GLN 54 2HG GLN 54 12.200 5.802 4.537 447 HG3 GLN 54 1HG GLN 54 11.664 7.046 5.665 448 HE21 GLN 54 1HE2 GLN 54 13.452 7.235 3.356 449 HE22 GLN 54 2HE2 GLN 54 14.931 7.889 3.960 450 H HIS 55 H HIS 55 12.048 2.166 6.477 451 HA HIS 55 HA HIS 55 12.256 1.539 9.298 452 HB2 HIS 55 2HB HIS 55 9.875 0.869 7.961 453 HB3 HIS 55 1HB HIS 55 10.778 -0.637 8.036 454 HD1 HIS 55 HD1 HIS 55 8.196 0.786 9.779 455 HD2 HIS 55 HD2 HIS 55 11.896 -0.654 11.021 456 HE1 HIS 55 HE1 HIS 55 7.932 0.259 12.212 457 HE2 HIS 55 HE2 HIS 55 10.232 -0.381 12.983 458 H LYS 56 H LYS 56 12.242 -0.083 6.073 459 HA LYS 56 HA LYS 56 14.660 -1.575 6.933 460 HB2 LYS 56 2HB LYS 56 12.592 -2.947 6.695 461 HB3 LYS 56 1HB LYS 56 12.527 -2.502 4.995 462 HG2 LYS 56 2HG LYS 56 14.820 -3.540 4.756 463 HG3 LYS 56 1HG LYS 56 14.608 -4.178 6.388 464 HD2 LYS 56 2HD LYS 56 12.896 -4.759 3.964 465 HD3 LYS 56 1HD LYS 56 13.983 -5.876 4.786 466 HE2 LYS 56 2HE LYS 56 11.486 -4.649 5.968 467 HE3 LYS 56 1HE LYS 56 11.639 -6.298 5.367 468 HZ1 LYS 56 3HZ LYS 56 13.091 -5.126 7.677 469 HZ2 LYS 56 1HZ LYS 56 13.333 -6.687 7.073 470 HZ3 LYS 56 2HZ LYS 56 11.843 -6.259 7.744 471 H TYR 57 H TYR 57 16.453 -0.989 5.866 472 HA TYR 57 HA TYR 57 17.904 -0.317 4.246 473 HB2 TYR 57 2HB TYR 57 16.109 -2.272 2.848 474 HB3 TYR 57 1HB TYR 57 17.409 -1.490 1.960 475 HD1 TYR 57 HD2 TYR 57 16.810 -3.434 5.103 476 HD2 TYR 57 HD1 TYR 57 19.534 -2.439 1.981 477 HE1 TYR 57 HE2 TYR 57 18.414 -5.080 5.982 478 HE2 TYR 57 HE1 TYR 57 21.146 -4.077 2.855 479 HH TYR 57 HH TYR 57 20.316 -6.378 5.276 480 H GLN 58 H GLN 58 15.700 1.566 4.595 481 HA GLN 58 HA GLN 58 14.729 2.406 2.047 482 HB2 GLN 58 2HB GLN 58 14.771 3.796 4.725 483 HB3 GLN 58 1HB GLN 58 13.943 4.424 3.305 484 HG2 GLN 58 2HG GLN 58 13.361 1.781 4.635 485 HG3 GLN 58 1HG GLN 58 12.425 3.259 4.838 486 HE21 GLN 58 1HE2 GLN 58 13.221 0.653 2.683 487 HE22 GLN 58 2HE2 GLN 58 11.980 0.972 1.527 488 H ASN 59 H ASN 59 17.810 2.609 3.144 489 HA ASN 59 HA ASN 59 18.494 5.217 2.124 490 HB2 ASN 59 2HB ASN 59 19.871 4.171 3.848 491 HB3 ASN 59 1HB ASN 59 20.221 2.816 2.781 492 HD21 ASN 59 1HD2 ASN 59 22.439 3.168 2.866 493 HD22 ASN 59 2HD2 ASN 59 23.191 4.499 2.061 494 H GLU 60 H GLU 60 18.601 1.886 0.891 495 HA GLU 60 HA GLU 60 19.877 2.714 -1.579 496 HB2 GLU 60 2HB GLU 60 18.941 0.036 -0.551 497 HB3 GLU 60 1HB GLU 60 19.591 0.250 -2.168 498 HG2 GLU 60 2HG GLU 60 21.025 0.789 0.426 499 HG3 GLU 60 1HG GLU 60 21.303 -0.563 -0.672 500 H LEU 61 H LEU 61 16.622 1.964 -0.507 501 HA LEU 61 HA LEU 61 15.676 2.738 -3.184 502 HB2 LEU 61 2HB LEU 61 13.853 1.105 -3.093 503 HB3 LEU 61 1HB LEU 61 15.425 0.335 -3.119 504 HG LEU 61 HG LEU 61 13.903 0.726 -0.539 505 HD11 LEU 61 1HD1 LEU 61 13.056 -1.546 -0.776 506 HD12 LEU 61 2HD1 LEU 61 13.778 -1.664 -2.381 507 HD13 LEU 61 3HD1 LEU 61 12.466 -0.523 -2.087 508 HD21 LEU 61 3HD2 LEU 61 16.298 0.189 -0.369 509 HD22 LEU 61 1HD2 LEU 61 16.041 -1.245 -1.365 510 HD23 LEU 61 2HD2 LEU 61 15.288 -1.128 0.226 511 H ASP 62 H ASP 62 14.225 4.319 -3.177 512 HA ASP 62 HA ASP 62 13.031 5.175 -0.640 513 HB2 ASP 62 2HB ASP 62 14.174 6.888 -1.946 514 HB3 ASP 62 1HB ASP 62 13.177 6.527 -3.351 515 H ILE 63 H ILE 63 10.895 4.964 -0.180 516 HA ILE 63 HA ILE 63 9.195 3.643 -2.183 517 HB ILE 63 HB ILE 63 8.850 3.893 0.815 518 HG12 ILE 63 2HG1 ILE 63 9.625 1.546 -0.948 519 HG13 ILE 63 1HG1 ILE 63 10.663 2.375 0.207 520 HG21 ILE 63 1HG2 ILE 63 7.160 2.382 -1.183 521 HG22 ILE 63 2HG2 ILE 63 6.681 3.835 -0.307 522 HG23 ILE 63 3HG2 ILE 63 6.975 2.335 0.570 523 HD11 ILE 63 3HD1 ILE 63 9.899 0.250 1.083 524 HD12 ILE 63 1HD1 ILE 63 8.219 0.746 0.875 525 HD13 ILE 63 2HD1 ILE 63 9.250 1.584 2.036 526 H LYS 64 H LYS 64 7.580 4.667 -3.155 527 HA LYS 64 HA LYS 64 6.102 6.794 -1.770 528 HB2 LYS 64 2HB LYS 64 7.209 7.008 -4.586 529 HB3 LYS 64 1HB LYS 64 6.009 8.103 -3.914 530 HG2 LYS 64 2HG LYS 64 8.775 7.699 -2.782 531 HG3 LYS 64 1HG LYS 64 8.318 9.002 -3.882 532 HD2 LYS 64 2HD LYS 64 6.754 9.884 -2.268 533 HD3 LYS 64 1HD LYS 64 7.024 8.511 -1.191 534 HE2 LYS 64 2HE LYS 64 9.132 10.520 -1.996 535 HE3 LYS 64 1HE LYS 64 8.224 10.564 -0.485 536 HZ1 LYS 64 3HZ LYS 64 10.115 8.449 -1.366 537 HZ2 LYS 64 1HZ LYS 64 9.134 8.332 0.009 538 HZ3 LYS 64 2HZ LYS 64 10.319 9.532 -0.085 539 H ILE 65 H ILE 65 3.886 6.833 -2.268 540 HA ILE 65 HA ILE 65 2.933 4.467 -3.740 541 HB ILE 65 HB ILE 65 1.449 6.275 -1.814 542 HG12 ILE 65 2HG1 ILE 65 2.457 3.428 -1.496 543 HG13 ILE 65 1HG1 ILE 65 3.173 4.849 -0.747 544 HG21 ILE 65 1HG2 ILE 65 -0.358 4.614 -1.922 545 HG22 ILE 65 2HG2 ILE 65 0.531 3.721 -3.155 546 HG23 ILE 65 3HG2 ILE 65 -0.066 5.345 -3.500 547 HD11 ILE 65 3HD1 ILE 65 1.106 5.208 0.518 548 HD12 ILE 65 1HD1 ILE 65 1.828 3.633 0.844 549 HD13 ILE 65 2HD1 ILE 65 0.421 3.756 -0.212 550 H ILE 66 H ILE 66 1.771 4.581 -5.576 551 HA ILE 66 HA ILE 66 1.294 7.202 -6.781 552 HB ILE 66 HB ILE 66 0.965 4.443 -7.986 553 HG12 ILE 66 2HG1 ILE 66 3.213 6.458 -8.297 554 HG13 ILE 66 1HG1 ILE 66 3.307 4.957 -7.380 555 HG21 ILE 66 1HG2 ILE 66 0.919 5.637 -10.145 556 HG22 ILE 66 2HG2 ILE 66 0.955 7.174 -9.279 557 HG23 ILE 66 3HG2 ILE 66 -0.431 6.095 -9.104 558 HD11 ILE 66 3HD1 ILE 66 4.381 4.738 -9.540 559 HD12 ILE 66 1HD1 ILE 66 2.882 5.189 -10.350 560 HD13 ILE 66 2HD1 ILE 66 2.971 3.684 -9.434 561 H ASN 67 H ASN 67 -0.606 4.173 -6.417 562 HA ASN 67 HA ASN 67 -2.908 5.582 -5.467 563 HB2 ASN 67 2HB ASN 67 -4.420 4.907 -7.365 564 HB3 ASN 67 1HB ASN 67 -3.264 6.177 -7.753 565 HD21 ASN 67 1HD2 ASN 67 -3.467 5.721 -9.947 566 HD22 ASN 67 2HD2 ASN 67 -2.720 4.336 -10.662 567 H PHE 68 H PHE 68 -4.942 3.857 -5.840 568 HA PHE 68 HA PHE 68 -3.963 1.283 -4.762 569 HB2 PHE 68 2HB PHE 68 -6.361 2.852 -3.764 570 HB3 PHE 68 1HB PHE 68 -5.783 1.314 -3.126 571 HD1 PHE 68 HD2 PHE 68 -3.641 1.216 -1.893 572 HD2 PHE 68 HD1 PHE 68 -5.338 4.920 -3.127 573 HE1 PHE 68 HE2 PHE 68 -2.171 2.408 -0.324 574 HE2 PHE 68 HE1 PHE 68 -3.868 6.117 -1.556 575 HZ PHE 68 HZ PHE 68 -2.286 4.862 -0.152 576 H LEU 69 H LEU 69 -4.792 -0.486 -5.751 577 HA LEU 69 HA LEU 69 -7.178 -0.144 -7.473 578 HB2 LEU 69 2HB LEU 69 -4.797 -1.968 -7.863 579 HB3 LEU 69 1HB LEU 69 -6.249 -2.022 -8.841 580 HG LEU 69 HG LEU 69 -5.762 0.382 -9.500 581 HD11 LEU 69 1HD1 LEU 69 -3.089 -0.252 -8.249 582 HD12 LEU 69 2HD1 LEU 69 -4.234 0.976 -7.712 583 HD13 LEU 69 3HD1 LEU 69 -3.438 1.139 -9.275 584 HD21 LEU 69 3HD2 LEU 69 -4.106 -0.266 -11.179 585 HD22 LEU 69 1HD2 LEU 69 -5.345 -1.508 -10.989 586 HD23 LEU 69 2HD2 LEU 69 -3.750 -1.736 -10.270 587 H TYR 70 H TYR 70 -8.720 -1.783 -7.587 588 HA TYR 70 HA TYR 70 -8.755 -3.668 -5.346 589 HB2 TYR 70 2HB TYR 70 -10.898 -3.054 -7.406 590 HB3 TYR 70 1HB TYR 70 -11.103 -4.052 -5.968 591 HD1 TYR 70 HD1 TYR 70 -9.926 -2.589 -3.822 592 HD2 TYR 70 HD2 TYR 70 -12.101 -1.073 -7.150 593 HE1 TYR 70 HE1 TYR 70 -10.541 -0.607 -2.508 594 HE2 TYR 70 HE2 TYR 70 -12.717 0.921 -5.844 595 HH TYR 70 HH TYR 70 -11.212 1.732 -2.919 596 HA PRO 71 HA PRO 71 -7.132 -7.257 -7.154 597 HB2 PRO 71 2HB PRO 71 -9.819 -8.518 -6.699 598 HB3 PRO 71 1HB PRO 71 -8.208 -9.152 -6.341 599 HG2 PRO 71 2HG PRO 71 -9.714 -8.084 -4.413 600 HG3 PRO 71 1HG PRO 71 -7.960 -7.829 -4.450 601 HD2 PRO 71 2HD PRO 71 -10.157 -5.929 -5.048 602 HD3 PRO 71 1HD PRO 71 -8.504 -5.606 -4.489 603 H ASP 72 H ASP 72 -10.471 -7.942 -8.165 604 HA ASP 72 HA ASP 72 -9.538 -8.196 -10.929 605 HB2 ASP 72 2HB ASP 72 -12.196 -8.958 -9.687 606 HB3 ASP 72 1HB ASP 72 -11.657 -9.373 -11.313 607 H GLY 73 H GLY 73 -9.840 -5.521 -9.844 608 HA2 GLY 73 2HA GLY 73 -10.720 -3.477 -10.432 609 HA3 GLY 73 1HA GLY 73 -11.375 -4.260 -11.861 610 H ASP 74 H ASP 74 -12.183 -5.264 -8.606 611 HA ASP 74 HA ASP 74 -14.814 -3.984 -8.785 612 HB2 ASP 74 2HB ASP 74 -15.216 -6.138 -9.765 613 HB3 ASP 74 1HB ASP 74 -14.330 -6.955 -8.478 614 H PHE 75 H PHE 75 -15.607 -3.298 -6.885 615 HA PHE 75 HA PHE 75 -13.993 -3.296 -4.556 616 HB2 PHE 75 2HB PHE 75 -15.993 -2.220 -3.473 617 HB3 PHE 75 1HB PHE 75 -15.437 -1.430 -4.941 618 HD1 PHE 75 HD1 PHE 75 -16.762 -1.493 -6.978 619 HD2 PHE 75 HD2 PHE 75 -18.146 -3.358 -3.401 620 HE1 PHE 75 HE1 PHE 75 -19.024 -1.636 -7.927 621 HE2 PHE 75 HE2 PHE 75 -20.411 -3.499 -4.352 622 HZ PHE 75 HZ PHE 75 -20.850 -2.638 -6.619 623 H GLY 76 H GLY 76 -16.789 -5.263 -5.511 624 HA2 GLY 76 2HA GLY 76 -17.227 -6.551 -3.025 625 HA3 GLY 76 1HA GLY 76 -17.655 -7.199 -4.603 626 H SER 77 H SER 77 -15.127 -7.371 -5.758 627 HA SER 77 HA SER 77 -14.027 -9.752 -4.780 628 HB2 SER 77 2HB SER 77 -13.637 -9.036 -7.069 629 HB3 SER 77 1HB SER 77 -12.762 -7.610 -6.514 630 HG SER 77 HG SER 77 -11.723 -9.904 -7.100 631 H ALA 78 H ALA 78 -13.116 -6.387 -4.167 632 HA ALA 78 HA ALA 78 -10.779 -6.853 -2.679 633 HB1 ALA 78 3HB ALA 78 -11.415 -4.645 -3.536 634 HB2 ALA 78 1HB ALA 78 -11.089 -4.596 -1.803 635 HB3 ALA 78 2HB ALA 78 -12.753 -4.582 -2.388 636 H ASN 79 H ASN 79 -14.184 -6.728 -1.676 637 HA ASN 79 HA ASN 79 -13.660 -6.940 1.122 638 HB2 ASN 79 2HB ASN 79 -15.752 -5.985 0.272 639 HB3 ASN 79 1HB ASN 79 -16.195 -7.541 -0.427 640 HD21 ASN 79 1HD2 ASN 79 -18.073 -7.694 0.784 641 HD22 ASN 79 2HD2 ASN 79 -18.056 -8.001 2.481 642 H LYS 80 H LYS 80 -14.616 -9.343 -1.348 643 HA LYS 80 HA LYS 80 -14.950 -11.477 0.467 644 HB2 LYS 80 2HB LYS 80 -15.109 -12.925 -1.415 645 HB3 LYS 80 1HB LYS 80 -15.859 -11.403 -1.868 646 HG2 LYS 80 2HG LYS 80 -13.814 -10.779 -3.093 647 HG3 LYS 80 1HG LYS 80 -13.102 -12.336 -2.662 648 HD2 LYS 80 2HD LYS 80 -15.027 -13.450 -3.819 649 HD3 LYS 80 1HD LYS 80 -15.547 -11.859 -4.376 650 HE2 LYS 80 2HE LYS 80 -14.287 -12.926 -6.128 651 HE3 LYS 80 1HE LYS 80 -13.341 -11.583 -5.490 652 HZ1 LYS 80 3HZ LYS 80 -12.973 -14.455 -4.824 653 HZ2 LYS 80 1HZ LYS 80 -12.079 -13.180 -4.157 654 HZ3 LYS 80 2HZ LYS 80 -11.966 -13.523 -5.809 655 H ASN 81 H ASN 81 -12.083 -10.255 -1.150 656 HA ASN 81 HA ASN 81 -10.472 -12.437 -0.006 657 HB2 ASN 81 2HB ASN 81 -9.866 -10.340 -2.091 658 HB3 ASN 81 1HB ASN 81 -8.592 -11.299 -1.346 659 HD21 ASN 81 1HD2 ASN 81 -8.008 -12.357 -3.181 660 HD22 ASN 81 2HD2 ASN 81 -9.008 -13.525 -3.965 661 H GLY 82 H GLY 82 -11.307 -9.169 0.610 662 HA2 GLY 82 2HA GLY 82 -10.635 -7.690 2.236 663 HA3 GLY 82 1HA GLY 82 -9.758 -9.015 2.982 664 H THR 83 H THR 83 -9.014 -8.197 -0.295 665 HA THR 83 HA THR 83 -6.374 -7.225 0.614 666 HB THR 83 HB THR 83 -5.452 -8.069 -1.500 667 HG1 THR 83 HG1 THR 83 -7.891 -8.000 -2.367 668 HG21 THR 83 3HG2 THR 83 -7.070 -10.166 -0.036 669 HG22 THR 83 1HG2 THR 83 -5.474 -9.577 0.434 670 HG23 THR 83 2HG2 THR 83 -5.675 -10.473 -1.072 671 H LEU 84 H LEU 84 -5.500 -5.404 -0.194 672 HA LEU 84 HA LEU 84 -6.824 -4.039 -2.460 673 HB2 LEU 84 2HB LEU 84 -7.252 -2.831 -0.361 674 HB3 LEU 84 1HB LEU 84 -5.534 -2.782 -0.021 675 HG LEU 84 HG LEU 84 -5.203 -1.352 -2.029 676 HD11 LEU 84 1HD1 LEU 84 -7.136 -2.062 -3.330 677 HD12 LEU 84 2HD1 LEU 84 -7.142 -0.315 -3.097 678 HD13 LEU 84 3HD1 LEU 84 -8.220 -1.334 -2.143 679 HD21 LEU 84 3HD2 LEU 84 -5.451 -0.365 0.202 680 HD22 LEU 84 1HD2 LEU 84 -7.198 -0.276 -0.030 681 HD23 LEU 84 2HD2 LEU 84 -6.122 0.683 -1.048 682 H LYS 85 H LYS 85 -5.451 -3.389 -4.111 683 HA LYS 85 HA LYS 85 -2.682 -4.278 -3.857 684 HB2 LYS 85 2HB LYS 85 -4.361 -3.541 -6.253 685 HB3 LYS 85 1HB LYS 85 -2.618 -3.748 -6.372 686 HG2 LYS 85 2HG LYS 85 -3.525 -5.819 -7.010 687 HG3 LYS 85 1HG LYS 85 -2.959 -6.054 -5.356 688 HD2 LYS 85 2HD LYS 85 -5.398 -5.455 -4.691 689 HD3 LYS 85 1HD LYS 85 -5.774 -5.813 -6.378 690 HE2 LYS 85 2HE LYS 85 -4.582 -7.669 -4.317 691 HE3 LYS 85 1HE LYS 85 -6.160 -7.796 -5.085 692 HZ1 LYS 85 3HZ LYS 85 -3.549 -8.079 -6.476 693 HZ2 LYS 85 1HZ LYS 85 -5.078 -8.256 -7.186 694 HZ3 LYS 85 2HZ LYS 85 -4.554 -9.354 -6.012 695 H LEU 86 H LEU 86 -1.272 -2.913 -3.104 696 HA LEU 86 HA LEU 86 -1.580 -0.039 -3.359 697 HB2 LEU 86 2HB LEU 86 0.697 -1.548 -2.062 698 HB3 LEU 86 1HB LEU 86 0.274 0.133 -1.831 699 HG LEU 86 HG LEU 86 -0.423 -0.883 0.143 700 HD11 LEU 86 1HD1 LEU 86 -2.872 -0.858 -1.609 701 HD12 LEU 86 2HD1 LEU 86 -2.184 0.514 -0.739 702 HD13 LEU 86 3HD1 LEU 86 -2.865 -0.845 0.155 703 HD21 LEU 86 3HD2 LEU 86 -1.692 -3.140 -1.405 704 HD22 LEU 86 1HD2 LEU 86 -1.588 -2.982 0.347 705 HD23 LEU 86 2HD2 LEU 86 -0.122 -3.216 -0.605 706 H SER 87 H SER 87 -0.723 1.057 -5.045 707 HA SER 87 HA SER 87 1.350 -0.148 -6.705 708 HB2 SER 87 2HB SER 87 -0.098 2.505 -6.979 709 HB3 SER 87 1HB SER 87 1.033 1.844 -8.158 710 HG SER 87 HG SER 87 -1.540 1.425 -8.038 711 H LEU 88 H LEU 88 3.317 -0.084 -5.642 712 HA LEU 88 HA LEU 88 4.234 2.501 -4.573 713 HB2 LEU 88 2HB LEU 88 5.241 -0.317 -4.230 714 HB3 LEU 88 1HB LEU 88 6.224 1.064 -3.789 715 HG LEU 88 HG LEU 88 4.414 1.780 -2.212 716 HD11 LEU 88 1HD1 LEU 88 2.741 0.116 -1.535 717 HD12 LEU 88 2HD1 LEU 88 3.247 -0.924 -2.868 718 HD13 LEU 88 3HD1 LEU 88 2.517 0.648 -3.200 719 HD21 LEU 88 3HD2 LEU 88 5.610 -0.954 -1.760 720 HD22 LEU 88 1HD2 LEU 88 4.955 0.103 -0.509 721 HD23 LEU 88 2HD2 LEU 88 6.381 0.597 -1.419 722 H MET 89 H MET 89 5.661 3.738 -5.628 723 HA MET 89 HA MET 89 7.248 2.559 -7.806 724 HB2 MET 89 2HB MET 89 7.790 4.941 -8.390 725 HB3 MET 89 1HB MET 89 6.089 4.524 -8.531 726 HG2 MET 89 2HG MET 89 5.599 5.647 -6.449 727 HG3 MET 89 1HG MET 89 7.310 5.978 -6.189 728 HE1 MET 89 3HE MET 89 8.112 8.566 -9.000 729 HE2 MET 89 1HE MET 89 8.363 6.821 -9.031 730 HE3 MET 89 2HE MET 89 8.719 7.735 -7.565 731 H LEU 90 H LEU 90 9.053 1.680 -7.028 732 HA LEU 90 HA LEU 90 10.427 2.810 -4.726 733 HB2 LEU 90 2HB LEU 90 11.063 0.346 -6.369 734 HB3 LEU 90 1HB LEU 90 11.877 0.814 -4.890 735 HG LEU 90 HG LEU 90 10.386 -0.907 -4.282 736 HD11 LEU 90 1HD1 LEU 90 8.818 0.160 -2.759 737 HD12 LEU 90 2HD1 LEU 90 9.025 1.697 -3.599 738 HD13 LEU 90 3HD1 LEU 90 10.383 0.974 -2.733 739 HD21 LEU 90 3HD2 LEU 90 7.994 -0.910 -4.826 740 HD22 LEU 90 1HD2 LEU 90 8.994 -0.945 -6.277 741 HD23 LEU 90 2HD2 LEU 90 8.208 0.556 -5.784 742 H THR 91 H THR 91 12.162 4.121 -4.866 743 HA THR 91 HA THR 91 13.462 4.426 -7.489 744 HB THR 91 HB THR 91 13.661 6.212 -5.048 745 HG1 THR 91 HG1 THR 91 11.665 5.992 -6.627 746 HG21 THR 91 3HG2 THR 91 14.725 7.820 -6.572 747 HG22 THR 91 1HG2 THR 91 14.684 6.626 -7.869 748 HG23 THR 91 2HG2 THR 91 15.679 6.343 -6.439 749 H ASP 92 H ASP 92 14.944 2.796 -7.608 750 HA ASP 92 HA ASP 92 16.685 1.973 -5.549 751 HB2 ASP 92 2HB ASP 92 17.006 1.832 -8.560 752 HB3 ASP 92 1HB ASP 92 18.067 1.021 -7.416 753 H LYS 93 H LYS 93 17.631 3.758 -4.532 754 HA LYS 93 HA LYS 93 18.789 5.974 -5.755 755 HB2 LYS 93 2HB LYS 93 19.665 4.705 -3.147 756 HB3 LYS 93 1HB LYS 93 19.961 6.366 -3.648 757 HG2 LYS 93 2HG LYS 93 17.256 5.136 -3.106 758 HG3 LYS 93 1HG LYS 93 18.132 6.232 -2.037 759 HD2 LYS 93 2HD LYS 93 17.226 6.944 -4.838 760 HD3 LYS 93 1HD LYS 93 16.323 7.329 -3.374 761 HE2 LYS 93 2HE LYS 93 19.135 8.263 -3.970 762 HE3 LYS 93 1HE LYS 93 17.677 9.228 -4.198 763 HZ1 LYS 93 3HZ LYS 93 18.708 9.778 -2.114 764 HZ2 LYS 93 1HZ LYS 93 18.683 8.161 -1.617 765 HZ3 LYS 93 2HZ LYS 93 17.236 9.007 -1.813 766 H LYS 94 H LYS 94 20.172 2.804 -5.134 767 HA LYS 94 HA LYS 94 22.840 3.140 -5.708 768 HB2 LYS 94 2HB LYS 94 22.660 0.802 -6.767 769 HB3 LYS 94 1HB LYS 94 22.148 0.974 -5.094 770 HG2 LYS 94 2HG LYS 94 19.832 0.982 -5.731 771 HG3 LYS 94 1HG LYS 94 20.253 1.025 -7.442 772 HD2 LYS 94 2HD LYS 94 21.019 -1.240 -5.597 773 HD3 LYS 94 1HD LYS 94 19.531 -1.221 -6.544 774 HE2 LYS 94 2HE LYS 94 20.954 -0.920 -8.597 775 HE3 LYS 94 1HE LYS 94 22.368 -1.199 -7.579 776 HZ1 LYS 94 3HZ LYS 94 21.636 -3.389 -7.112 777 HZ2 LYS 94 1HZ LYS 94 21.526 -3.189 -8.786 778 HZ3 LYS 94 2HZ LYS 94 20.127 -3.129 -7.835 779 H ASN 95 H ASN 95 20.178 2.930 -8.060 780 HA ASN 95 HA ASN 95 22.081 3.681 -10.202 781 HB2 ASN 95 2HB ASN 95 19.459 2.186 -10.446 782 HB3 ASN 95 1HB ASN 95 20.478 2.669 -11.798 783 HD21 ASN 95 1HD2 ASN 95 22.961 2.051 -10.339 784 HD22 ASN 95 2HD2 ASN 95 23.065 0.327 -10.327 785 H ASN 96 H ASN 96 19.801 4.979 -8.262 786 HA ASN 96 HA ASN 96 18.398 6.752 -8.271 787 HB2 ASN 96 2HB ASN 96 20.562 7.762 -9.247 788 HB3 ASN 96 1HB ASN 96 19.739 7.707 -10.803 789 HD21 ASN 96 1HD2 ASN 96 18.346 8.418 -7.636 790 HD22 ASN 96 2HD2 ASN 96 17.869 10.030 -8.016 791 H GLN 97 H GLN 97 17.733 4.319 -9.920 792 HA GLN 97 HA GLN 97 15.936 5.450 -11.956 793 HB2 GLN 97 2HB GLN 97 16.829 2.607 -11.428 794 HB3 GLN 97 1HB GLN 97 15.633 3.042 -12.642 795 HG2 GLN 97 2HG GLN 97 18.497 3.988 -12.591 796 HG3 GLN 97 1HG GLN 97 17.861 2.691 -13.601 797 HE21 GLN 97 1HE2 GLN 97 16.513 3.221 -15.348 798 HE22 GLN 97 2HE2 GLN 97 16.416 4.832 -15.965 799 H VAL 98 H VAL 98 13.737 4.384 -12.139 800 HA VAL 98 HA VAL 98 12.633 3.873 -9.448 801 HB VAL 98 HB VAL 98 11.858 6.019 -10.265 802 HG11 VAL 98 1HG1 VAL 98 10.748 4.540 -12.658 803 HG12 VAL 98 2HG1 VAL 98 12.135 5.630 -12.671 804 HG13 VAL 98 3HG1 VAL 98 10.528 6.253 -12.299 805 HG21 VAL 98 3HG2 VAL 98 9.443 5.674 -10.096 806 HG22 VAL 98 1HG2 VAL 98 10.302 4.653 -8.940 807 HG23 VAL 98 2HG2 VAL 98 9.651 3.954 -10.423 808 H TYR 99 H TYR 99 12.066 1.823 -9.196 809 HA TYR 99 HA TYR 99 10.915 0.295 -11.431 810 HB2 TYR 99 2HB TYR 99 12.754 -0.768 -10.178 811 HB3 TYR 99 1HB TYR 99 11.837 -0.612 -8.685 812 HD1 TYR 99 HD2 TYR 99 11.803 -2.241 -12.027 813 HD2 TYR 99 HD1 TYR 99 10.299 -2.300 -8.042 814 HE1 TYR 99 HE2 TYR 99 10.767 -4.424 -12.456 815 HE2 TYR 99 HE1 TYR 99 9.256 -4.489 -8.465 816 HH TYR 99 HH TYR 99 8.423 -5.773 -10.520 817 H TYR 100 H TYR 100 8.866 -0.734 -11.212 818 HA TYR 100 HA TYR 100 7.124 0.486 -9.162 819 HB2 TYR 100 2HB TYR 100 6.407 -0.524 -11.928 820 HB3 TYR 100 1HB TYR 100 5.271 0.166 -10.770 821 HD1 TYR 100 HD2 TYR 100 5.488 2.581 -10.126 822 HD2 TYR 100 HD1 TYR 100 7.795 0.890 -13.287 823 HE1 TYR 100 HE2 TYR 100 5.993 4.836 -10.962 824 HE2 TYR 100 HE1 TYR 100 8.304 3.146 -14.127 825 HH TYR 100 HH TYR 100 7.384 5.407 -14.020 826 H LYS 101 H LYS 101 6.252 -0.807 -7.673 827 HA LYS 101 HA LYS 101 6.025 -3.701 -8.239 828 HB2 LYS 101 2HB LYS 101 7.970 -3.293 -6.801 829 HB3 LYS 101 1HB LYS 101 6.965 -2.407 -5.668 830 HG2 LYS 101 2HG LYS 101 7.150 -4.442 -4.616 831 HG3 LYS 101 1HG LYS 101 5.638 -4.652 -5.497 832 HD2 LYS 101 2HD LYS 101 8.294 -5.545 -6.613 833 HD3 LYS 101 1HD LYS 101 7.325 -6.579 -5.566 834 HE2 LYS 101 2HE LYS 101 6.337 -5.381 -8.156 835 HE3 LYS 101 1HE LYS 101 7.024 -6.996 -8.011 836 HZ1 LYS 101 3HZ LYS 101 4.536 -6.846 -7.957 837 HZ2 LYS 101 1HZ LYS 101 4.667 -6.122 -6.432 838 HZ3 LYS 101 2HZ LYS 101 5.235 -7.699 -6.680 839 H LEU 102 H LEU 102 3.954 -4.316 -8.146 840 HA LEU 102 HA LEU 102 2.016 -2.912 -6.506 841 HB2 LEU 102 2HB LEU 102 1.743 -5.420 -8.182 842 HB3 LEU 102 1HB LEU 102 0.416 -4.598 -7.381 843 HG LEU 102 HG LEU 102 2.111 -3.443 -9.609 844 HD11 LEU 102 1HD1 LEU 102 0.613 -5.222 -10.376 845 HD12 LEU 102 2HD1 LEU 102 0.102 -3.644 -10.975 846 HD13 LEU 102 3HD1 LEU 102 -0.755 -4.396 -9.627 847 HD21 LEU 102 3HD2 LEU 102 0.505 -1.597 -9.600 848 HD22 LEU 102 1HD2 LEU 102 1.342 -1.718 -8.053 849 HD23 LEU 102 2HD2 LEU 102 -0.314 -2.304 -8.207 850 H LEU 103 H LEU 103 1.350 -3.486 -4.520 851 HA LEU 103 HA LEU 103 2.123 -6.139 -3.447 852 HB2 LEU 103 2HB LEU 103 1.882 -3.503 -1.972 853 HB3 LEU 103 1HB LEU 103 2.184 -5.052 -1.208 854 HG LEU 103 HG LEU 103 4.047 -3.748 -3.204 855 HD11 LEU 103 1HD1 LEU 103 4.218 -3.865 -0.192 856 HD12 LEU 103 2HD1 LEU 103 3.914 -2.424 -1.164 857 HD13 LEU 103 3HD1 LEU 103 5.468 -3.249 -1.274 858 HD21 LEU 103 3HD2 LEU 103 5.647 -5.430 -2.477 859 HD22 LEU 103 1HD2 LEU 103 4.198 -6.204 -3.118 860 HD23 LEU 103 2HD2 LEU 103 4.456 -6.121 -1.373 861 H GLU 104 H GLU 104 0.574 -7.197 -2.088 862 HA GLU 104 HA GLU 104 -1.985 -5.870 -1.665 863 HB2 GLU 104 2HB GLU 104 -3.251 -7.840 -2.558 864 HB3 GLU 104 1HB GLU 104 -2.423 -6.879 -3.775 865 HG2 GLU 104 2HG GLU 104 -0.585 -8.575 -3.755 866 HG3 GLU 104 1HG GLU 104 -1.583 -9.560 -2.682 867 H VAL 105 H VAL 105 -2.775 -6.267 0.284 868 HA VAL 105 HA VAL 105 -1.994 -8.734 1.701 869 HB VAL 105 HB VAL 105 -1.584 -7.548 3.754 870 HG11 VAL 105 1HG1 VAL 105 -0.115 -6.195 1.487 871 HG12 VAL 105 2HG1 VAL 105 0.318 -7.729 2.242 872 HG13 VAL 105 3HG1 VAL 105 0.404 -6.233 3.172 873 HG21 VAL 105 3HG2 VAL 105 -2.248 -4.994 2.279 874 HG22 VAL 105 1HG2 VAL 105 -1.681 -5.118 3.946 875 HG23 VAL 105 2HG2 VAL 105 -3.257 -5.774 3.500 876 H SER 106 H SER 106 -3.457 -9.460 3.316 877 HA SER 106 HA SER 106 -6.220 -8.544 2.915 878 HB2 SER 106 2HB SER 106 -5.194 -11.046 4.285 879 HB3 SER 106 1HB SER 106 -6.889 -10.657 3.999 880 HG SER 106 HG SER 106 -6.682 -11.145 1.937 881 H GLY 107 H GLY 107 -7.329 -7.449 4.442 882 HA2 GLY 107 2HA GLY 107 -7.367 -7.792 7.154 883 HA3 GLY 107 1HA GLY 107 -6.009 -6.710 6.908 884 H PHE 108 H PHE 108 -7.201 -5.290 4.687 885 HA PHE 108 HA PHE 108 -8.361 -3.145 5.987 886 HB2 PHE 108 2HB PHE 108 -8.835 -3.922 3.096 887 HB3 PHE 108 1HB PHE 108 -8.964 -2.305 3.783 888 HD1 PHE 108 HD2 PHE 108 -6.852 -1.245 4.738 889 HD2 PHE 108 HD1 PHE 108 -6.795 -4.699 2.245 890 HE1 PHE 108 HE2 PHE 108 -4.482 -0.837 4.231 891 HE2 PHE 108 HE1 PHE 108 -4.423 -4.293 1.735 892 HZ PHE 108 HZ PHE 108 -3.263 -2.363 2.727 893 H LYS 109 H LYS 109 -10.069 -5.660 4.124 894 HA LYS 109 HA LYS 109 -12.371 -5.561 5.844 895 HB2 LYS 109 2HB LYS 109 -12.842 -3.606 4.435 896 HB3 LYS 109 1HB LYS 109 -12.616 -4.573 2.985 897 HG2 LYS 109 2HG LYS 109 -14.971 -4.199 3.417 898 HG3 LYS 109 1HG LYS 109 -14.573 -5.911 3.560 899 HD2 LYS 109 2HD LYS 109 -14.534 -5.710 5.997 900 HD3 LYS 109 1HD LYS 109 -14.889 -3.985 5.871 901 HE2 LYS 109 2HE LYS 109 -17.047 -4.484 4.850 902 HE3 LYS 109 1HE LYS 109 -16.684 -6.210 4.882 903 HZ1 LYS 109 3HZ LYS 109 -16.596 -6.086 7.307 904 HZ2 LYS 109 1HZ LYS 109 -18.107 -5.614 6.712 905 HZ3 LYS 109 2HZ LYS 109 -17.006 -4.449 7.246 906 H SER 110 H SER 110 -12.078 -7.777 6.109 907 HA SER 110 HA SER 110 -12.091 -9.454 3.674 908 HB2 SER 110 2HB SER 110 -11.017 -11.210 5.088 909 HB3 SER 110 1HB SER 110 -10.047 -9.745 4.947 910 HG SER 110 HG SER 110 -11.700 -10.485 7.142 911 H ASN 111 H ASN 111 -14.203 -9.881 3.323 912 HA ASN 111 HA ASN 111 -15.586 -11.546 5.315 913 HB2 ASN 111 2HB ASN 111 -16.777 -9.120 3.942 914 HB3 ASN 111 1HB ASN 111 -17.729 -10.321 4.807 915 HD21 ASN 111 1HD2 ASN 111 -17.721 -10.319 7.015 916 HD22 ASN 111 2HD2 ASN 111 -16.998 -9.075 7.962 917 HA PRO 112 HA PRO 112 -15.364 -13.304 0.969 918 HB2 PRO 112 2HB PRO 112 -15.383 -15.847 2.516 919 HB3 PRO 112 1HB PRO 112 -14.318 -15.332 1.204 920 HG2 PRO 112 2HG PRO 112 -13.446 -15.393 3.728 921 HG3 PRO 112 1HG PRO 112 -12.946 -14.105 2.617 922 HD2 PRO 112 2HD PRO 112 -14.985 -14.027 4.814 923 HD3 PRO 112 1HD PRO 112 -13.791 -12.799 4.341 924 H TYR 113 H TYR 113 -17.022 -15.590 3.141 925 HA TYR 113 HA TYR 113 -19.258 -15.773 1.359 926 HB2 TYR 113 2HB TYR 113 -20.210 -17.293 3.135 927 HB3 TYR 113 1HB TYR 113 -18.635 -17.771 2.512 928 HD1 TYR 113 HD2 TYR 113 -20.443 -16.455 5.439 929 HD2 TYR 113 HD1 TYR 113 -16.665 -17.701 3.917 930 HE1 TYR 113 HE2 TYR 113 -19.553 -16.545 7.727 931 HE2 TYR 113 HE1 TYR 113 -15.768 -17.791 6.203 932 HH TYR 113 HH TYR 113 -17.755 -17.661 8.961 933 H LEU 114 H LEU 114 -18.538 -13.872 4.160 934 HA LEU 114 HA LEU 114 -21.186 -13.288 4.974 935 HB2 LEU 114 2HB LEU 114 -18.604 -11.784 5.389 936 HB3 LEU 114 1HB LEU 114 -20.126 -11.326 6.137 937 HG LEU 114 HG LEU 114 -18.716 -13.974 6.553 938 HD11 LEU 114 1HD1 LEU 114 -17.476 -12.140 7.573 939 HD12 LEU 114 2HD1 LEU 114 -18.224 -13.165 8.798 940 HD13 LEU 114 3HD1 LEU 114 -18.937 -11.599 8.401 941 HD21 LEU 114 3HD2 LEU 114 -21.139 -14.166 6.768 942 HD22 LEU 114 1HD2 LEU 114 -21.161 -12.807 7.895 943 HD23 LEU 114 2HD2 LEU 114 -20.360 -14.314 8.342 944 H GLU 115 H GLU 115 -19.076 -11.797 2.545 945 HA GLU 115 HA GLU 115 -20.702 -9.614 1.862 946 HB2 GLU 115 2HB GLU 115 -18.530 -9.780 0.873 947 HB3 GLU 115 1HB GLU 115 -18.878 -11.364 0.203 948 HG2 GLU 115 2HG GLU 115 -18.840 -9.629 -1.515 949 HG3 GLU 115 1HG GLU 115 -20.418 -10.400 -1.394 950 H HIS 116 H HIS 116 -20.787 -12.975 0.695 951 HA HIS 116 HA HIS 116 -23.258 -12.532 -0.778 952 HB2 HIS 116 2HB HIS 116 -21.585 -15.017 -0.330 953 HB3 HIS 116 1HB HIS 116 -23.044 -14.981 -1.310 954 HD1 HIS 116 HD1 HIS 116 -21.089 -15.881 -3.055 955 HD2 HIS 116 HD2 HIS 116 -21.119 -11.838 -2.096 956 HE1 HIS 116 HE1 HIS 116 -19.769 -14.749 -4.862 957 HE2 HIS 116 HE2 HIS 116 -19.981 -12.297 -4.372 958 H HIS 117 H HIS 117 -23.810 -11.915 1.799 959 HA HIS 117 HA HIS 117 -24.853 -14.239 3.186 960 HB2 HIS 117 2HB HIS 117 -25.578 -12.644 4.923 961 HB3 HIS 117 1HB HIS 117 -23.874 -12.462 4.533 962 HD1 HIS 117 HD1 HIS 117 -23.296 -10.312 2.966 963 HD2 HIS 117 HD2 HIS 117 -27.044 -10.342 4.761 964 HE1 HIS 117 HE1 HIS 117 -24.126 -7.953 2.822 965 HE2 HIS 117 HE2 HIS 117 -26.430 -8.010 3.831 966 H HIS 118 H HIS 118 -26.434 -15.071 1.826 967 HA HIS 118 HA HIS 118 -28.784 -13.337 1.344 968 HB2 HIS 118 2HB HIS 118 -27.469 -13.915 -0.707 969 HB3 HIS 118 1HB HIS 118 -27.825 -15.613 -0.414 970 HD1 HIS 118 HD1 HIS 118 -29.959 -16.485 -1.401 971 HD2 HIS 118 HD2 HIS 118 -29.884 -12.332 -1.252 972 HE1 HIS 118 HE1 HIS 118 -32.002 -15.729 -2.645 973 HE2 HIS 118 HE2 HIS 118 -31.921 -13.220 -2.579 974 H HIS 119 H HIS 119 -28.201 -15.262 3.613 975 HA HIS 119 HA HIS 119 -29.924 -17.490 3.330 976 HB2 HIS 119 2HB HIS 119 -29.809 -17.753 5.713 977 HB3 HIS 119 1HB HIS 119 -28.227 -17.241 5.146 978 HD1 HIS 119 HD1 HIS 119 -30.373 -16.705 7.840 979 HD2 HIS 119 HD2 HIS 119 -28.122 -14.154 5.463 980 HE1 HIS 119 HE1 HIS 119 -30.080 -14.616 9.193 981 HE2 HIS 119 HE2 HIS 119 -28.504 -13.206 7.839 982 H HIS 120 H HIS 120 -30.559 -14.144 3.970 983 HA HIS 120 HA HIS 120 -33.383 -14.607 3.436 984 HB2 HIS 120 2HB HIS 120 -32.427 -13.150 5.918 985 HB3 HIS 120 1HB HIS 120 -34.063 -13.016 5.284 986 HD1 HIS 120 HD1 HIS 120 -35.121 -15.661 4.909 987 HD2 HIS 120 HD2 HIS 120 -32.353 -14.943 7.924 988 HE1 HIS 120 HE1 HIS 120 -35.395 -17.546 6.534 989 HE2 HIS 120 HE2 HIS 120 -33.695 -17.117 8.334 990 H HIS 121 H HIS 121 -34.406 -12.122 3.578 991 HA HIS 121 HA HIS 121 -32.913 -10.648 1.580 992 HB2 HIS 121 2HB HIS 121 -35.341 -10.859 1.357 993 HB3 HIS 121 1HB HIS 121 -35.574 -10.048 2.903 994 HD1 HIS 121 HD1 HIS 121 -34.457 -9.354 -0.635 995 HD2 HIS 121 HD2 HIS 121 -35.530 -7.289 2.804 996 HE1 HIS 121 HE1 HIS 121 -34.641 -6.950 -1.323 997 HE2 HIS 121 HE2 HIS 121 -35.471 -5.756 0.726 Start of MODEL 14 1 H1 MET 1 1H MET 1 24.276 -12.229 7.331 2 H2 MET 1 2H MET 1 23.581 -13.742 7.620 3 H3 MET 1 3H MET 1 22.596 -12.413 7.277 4 HA MET 1 HA MET 1 24.538 -13.661 5.414 5 HB2 MET 1 2HB MET 1 21.508 -13.703 5.453 6 HB3 MET 1 1HB MET 1 22.492 -14.287 4.121 7 HG2 MET 1 2HG MET 1 23.485 -15.969 5.612 8 HG3 MET 1 1HG MET 1 22.446 -15.401 6.919 9 HE1 MET 1 3HE MET 1 21.511 -17.847 7.303 10 HE2 MET 1 1HE MET 1 22.547 -18.458 6.012 11 HE3 MET 1 2HE MET 1 20.828 -18.848 6.022 12 H LEU 2 H LEU 2 25.424 -12.059 4.228 13 HA LEU 2 HA LEU 2 23.665 -9.897 3.230 14 HB2 LEU 2 2HB LEU 2 26.671 -9.995 3.546 15 HB3 LEU 2 1HB LEU 2 25.842 -8.724 2.669 16 HG LEU 2 HG LEU 2 26.341 -7.850 4.814 17 HD11 LEU 2 1HD1 LEU 2 24.163 -7.350 5.751 18 HD12 LEU 2 2HD1 LEU 2 23.449 -8.699 4.869 19 HD13 LEU 2 3HD1 LEU 2 24.100 -7.314 3.990 20 HD21 LEU 2 3HD2 LEU 2 25.093 -10.321 6.017 21 HD22 LEU 2 1HD2 LEU 2 25.704 -8.931 6.916 22 HD23 LEU 2 2HD2 LEU 2 26.813 -9.934 5.981 23 H SER 3 H SER 3 22.995 -10.125 1.183 24 HA SER 3 HA SER 3 24.729 -11.574 -0.736 25 HB2 SER 3 2HB SER 3 21.699 -11.412 -0.783 26 HB3 SER 3 1HB SER 3 22.720 -12.346 -1.879 27 HG SER 3 HG SER 3 21.876 -12.920 0.672 28 H GLN 4 H GLN 4 24.035 -10.967 -3.116 29 HA GLN 4 HA GLN 4 23.147 -8.232 -3.483 30 HB2 GLN 4 2HB GLN 4 25.234 -7.448 -4.542 31 HB3 GLN 4 1HB GLN 4 25.459 -7.835 -2.840 32 HG2 GLN 4 2HG GLN 4 26.385 -10.049 -3.546 33 HG3 GLN 4 1HG GLN 4 26.307 -9.488 -5.214 34 HE21 GLN 4 1HE2 GLN 4 27.882 -9.138 -2.152 35 HE22 GLN 4 2HE2 GLN 4 29.225 -8.217 -2.717 36 H ALA 5 H ALA 5 22.544 -11.007 -4.455 37 HA ALA 5 HA ALA 5 23.170 -11.047 -7.266 38 HB1 ALA 5 3HB ALA 5 22.833 -13.115 -5.993 39 HB2 ALA 5 1HB ALA 5 21.711 -13.004 -7.348 40 HB3 ALA 5 2HB ALA 5 21.150 -12.670 -5.708 41 H ASN 6 H ASN 6 21.524 -11.018 -8.985 42 HA ASN 6 HA ASN 6 19.987 -8.661 -8.948 43 HB2 ASN 6 2HB ASN 6 20.006 -11.030 -10.817 44 HB3 ASN 6 1HB ASN 6 18.923 -9.666 -11.066 45 HD21 ASN 6 1HD2 ASN 6 22.184 -9.362 -9.781 46 HD22 ASN 6 2HD2 ASN 6 22.817 -8.521 -11.147 47 H GLU 7 H GLU 7 19.017 -12.042 -8.453 48 HA GLU 7 HA GLU 7 16.232 -11.472 -8.175 49 HB2 GLU 7 2HB GLU 7 16.026 -13.743 -7.300 50 HB3 GLU 7 1HB GLU 7 17.027 -13.721 -8.744 51 HG2 GLU 7 2HG GLU 7 19.034 -13.912 -7.399 52 HG3 GLU 7 1HG GLU 7 18.077 -13.826 -5.920 53 H ASP 8 H ASP 8 18.947 -11.483 -5.978 54 HA ASP 8 HA ASP 8 17.546 -11.456 -3.537 55 HB2 ASP 8 2HB ASP 8 19.994 -11.858 -3.779 56 HB3 ASP 8 1HB ASP 8 20.211 -10.152 -4.159 57 H PHE 9 H PHE 9 18.691 -8.772 -5.600 58 HA PHE 9 HA PHE 9 17.841 -6.630 -4.041 59 HB2 PHE 9 2HB PHE 9 17.965 -6.875 -7.057 60 HB3 PHE 9 1HB PHE 9 17.687 -5.356 -6.210 61 HD1 PHE 9 HD1 PHE 9 19.503 -4.985 -4.218 62 HD2 PHE 9 HD2 PHE 9 20.126 -7.213 -7.793 63 HE1 PHE 9 HE1 PHE 9 21.929 -4.625 -4.019 64 HE2 PHE 9 HE2 PHE 9 22.552 -6.860 -7.596 65 HZ PHE 9 HZ PHE 9 23.456 -5.562 -5.707 66 H LYS 10 H LYS 10 15.982 -8.296 -6.626 67 HA LYS 10 HA LYS 10 13.607 -6.811 -6.193 68 HB2 LYS 10 2HB LYS 10 12.469 -8.442 -7.572 69 HB3 LYS 10 1HB LYS 10 14.036 -8.074 -8.277 70 HG2 LYS 10 2HG LYS 10 14.941 -10.158 -7.411 71 HG3 LYS 10 1HG LYS 10 13.399 -10.520 -6.633 72 HD2 LYS 10 2HD LYS 10 13.826 -10.199 -9.612 73 HD3 LYS 10 1HD LYS 10 13.700 -11.739 -8.761 74 HE2 LYS 10 2HE LYS 10 11.424 -11.182 -8.065 75 HE3 LYS 10 1HE LYS 10 11.546 -9.622 -8.880 76 HZ1 LYS 10 3HZ LYS 10 11.796 -10.775 -10.983 77 HZ2 LYS 10 1HZ LYS 10 10.365 -11.254 -10.219 78 HZ3 LYS 10 2HZ LYS 10 11.709 -12.276 -10.206 79 H LYS 11 H LYS 11 14.823 -9.812 -4.757 80 HA LYS 11 HA LYS 11 12.573 -10.632 -3.334 81 HB2 LYS 11 2HB LYS 11 14.672 -11.919 -3.414 82 HB3 LYS 11 1HB LYS 11 15.462 -10.700 -2.421 83 HG2 LYS 11 2HG LYS 11 13.856 -11.199 -0.596 84 HG3 LYS 11 1HG LYS 11 13.183 -12.493 -1.594 85 HD2 LYS 11 2HD LYS 11 15.485 -13.508 -1.674 86 HD3 LYS 11 1HD LYS 11 15.988 -12.300 -0.489 87 HE2 LYS 11 2HE LYS 11 15.443 -14.392 0.618 88 HE3 LYS 11 1HE LYS 11 14.286 -13.143 1.074 89 HZ1 LYS 11 3HZ LYS 11 13.794 -15.153 -1.050 90 HZ2 LYS 11 1HZ LYS 11 12.673 -14.068 -0.398 91 HZ3 LYS 11 2HZ LYS 11 13.277 -15.334 0.547 92 H ILE 12 H ILE 12 15.089 -8.300 -2.356 93 HA ILE 12 HA ILE 12 14.087 -7.522 0.115 94 HB ILE 12 HB ILE 12 15.424 -5.756 -1.956 95 HG12 ILE 12 2HG1 ILE 12 16.628 -7.322 0.347 96 HG13 ILE 12 1HG1 ILE 12 16.720 -7.787 -1.347 97 HG21 ILE 12 1HG2 ILE 12 16.082 -4.338 -0.063 98 HG22 ILE 12 2HG2 ILE 12 15.158 -5.368 1.031 99 HG23 ILE 12 3HG2 ILE 12 14.325 -4.435 -0.212 100 HD11 ILE 12 3HD1 ILE 12 18.013 -5.777 -1.830 101 HD12 ILE 12 1HD1 ILE 12 18.783 -6.764 -0.591 102 HD13 ILE 12 2HD1 ILE 12 17.910 -5.301 -0.134 103 H VAL 13 H VAL 13 13.217 -6.338 -3.116 104 HA VAL 13 HA VAL 13 11.348 -4.383 -2.261 105 HB VAL 13 HB VAL 13 11.358 -5.839 -4.918 106 HG11 VAL 13 1HG1 VAL 13 10.306 -3.118 -4.125 107 HG12 VAL 13 2HG1 VAL 13 9.343 -4.531 -4.560 108 HG13 VAL 13 3HG1 VAL 13 10.359 -3.750 -5.771 109 HG21 VAL 13 3HG2 VAL 13 12.798 -4.020 -5.732 110 HG22 VAL 13 1HG2 VAL 13 13.584 -4.945 -4.453 111 HG23 VAL 13 2HG2 VAL 13 12.891 -3.361 -4.098 112 H ASN 14 H ASN 14 11.057 -7.843 -2.840 113 HA ASN 14 HA ASN 14 8.178 -7.880 -2.541 114 HB2 ASN 14 2HB ASN 14 10.275 -10.046 -2.667 115 HB3 ASN 14 1HB ASN 14 8.598 -10.414 -2.279 116 HD21 ASN 14 1HD2 ASN 14 10.786 -9.337 -4.745 117 HD22 ASN 14 2HD2 ASN 14 9.687 -9.515 -6.065 118 H ASN 15 H ASN 15 10.894 -7.934 -0.405 119 HA ASN 15 HA ASN 15 9.371 -8.979 1.846 120 HB2 ASN 15 2HB ASN 15 12.235 -8.245 1.380 121 HB3 ASN 15 1HB ASN 15 11.637 -8.266 3.041 122 HD21 ASN 15 1HD2 ASN 15 12.273 -10.166 0.204 123 HD22 ASN 15 2HD2 ASN 15 12.181 -11.705 0.979 124 H ILE 16 H ILE 16 9.114 -6.174 0.383 125 HA ILE 16 HA ILE 16 9.270 -4.348 2.599 126 HB ILE 16 HB ILE 16 7.922 -4.054 -0.097 127 HG12 ILE 16 2HG1 ILE 16 10.561 -2.994 0.965 128 HG13 ILE 16 1HG1 ILE 16 10.365 -4.273 -0.230 129 HG21 ILE 16 1HG2 ILE 16 7.844 -1.641 0.407 130 HG22 ILE 16 2HG2 ILE 16 8.427 -1.974 2.039 131 HG23 ILE 16 3HG2 ILE 16 6.857 -2.587 1.520 132 HD11 ILE 16 3HD1 ILE 16 9.356 -2.664 -1.773 133 HD12 ILE 16 1HD1 ILE 16 10.982 -2.186 -1.286 134 HD13 ILE 16 2HD1 ILE 16 9.579 -1.387 -0.577 135 H ARG 17 H ARG 17 8.017 -5.141 4.269 136 HA ARG 17 HA ARG 17 5.138 -5.534 3.758 137 HB2 ARG 17 2HB ARG 17 6.556 -7.359 4.878 138 HB3 ARG 17 1HB ARG 17 6.629 -6.297 6.278 139 HG2 ARG 17 2HG ARG 17 4.886 -7.887 6.647 140 HG3 ARG 17 1HG ARG 17 4.130 -6.323 6.347 141 HD2 ARG 17 2HD ARG 17 3.620 -6.966 4.063 142 HD3 ARG 17 1HD ARG 17 4.479 -8.492 4.269 143 HE ARG 17 HE ARG 17 2.268 -8.051 6.095 144 HH11 ARG 17 1HH1 ARG 17 3.268 -9.371 3.072 145 HH12 ARG 17 2HH1 ARG 17 1.970 -10.508 3.009 146 HH21 ARG 17 1HH2 ARG 17 0.580 -9.504 5.990 147 HH22 ARG 17 2HH2 ARG 17 0.444 -10.561 4.627 148 H LEU 18 H LEU 18 3.629 -4.230 4.698 149 HA LEU 18 HA LEU 18 4.346 -1.697 5.687 150 HB2 LEU 18 2HB LEU 18 1.860 -1.563 6.297 151 HB3 LEU 18 1HB LEU 18 2.295 -1.777 4.614 152 HG LEU 18 HG LEU 18 1.794 -4.219 4.839 153 HD11 LEU 18 1HD1 LEU 18 0.722 -3.435 7.549 154 HD12 LEU 18 2HD1 LEU 18 2.090 -4.501 7.229 155 HD13 LEU 18 3HD1 LEU 18 0.467 -4.988 6.750 156 HD21 LEU 18 3HD2 LEU 18 -0.484 -2.357 5.514 157 HD22 LEU 18 1HD2 LEU 18 -0.632 -3.963 4.800 158 HD23 LEU 18 2HD2 LEU 18 0.160 -2.668 3.902 159 H LYS 19 H LYS 19 4.529 -4.554 7.353 160 HA LYS 19 HA LYS 19 3.934 -3.387 9.976 161 HB2 LYS 19 2HB LYS 19 4.242 -6.158 8.912 162 HB3 LYS 19 1HB LYS 19 4.673 -5.893 10.592 163 HG2 LYS 19 2HG LYS 19 2.105 -4.692 9.967 164 HG3 LYS 19 1HG LYS 19 2.133 -6.411 9.571 165 HD2 LYS 19 2HD LYS 19 1.380 -5.993 11.887 166 HD3 LYS 19 1HD LYS 19 2.856 -6.959 11.825 167 HE2 LYS 19 2HE LYS 19 4.161 -4.874 12.242 168 HE3 LYS 19 1HE LYS 19 2.639 -4.008 12.442 169 HZ1 LYS 19 3HZ LYS 19 3.539 -6.303 14.098 170 HZ2 LYS 19 1HZ LYS 19 2.111 -5.419 14.315 171 HZ3 LYS 19 2HZ LYS 19 3.614 -4.679 14.558 172 H ASP 20 H ASP 20 6.587 -5.117 8.349 173 HA ASP 20 HA ASP 20 8.398 -4.443 10.535 174 HB2 ASP 20 2HB ASP 20 8.814 -6.223 8.127 175 HB3 ASP 20 1HB ASP 20 9.893 -6.085 9.511 176 H THR 21 H THR 21 7.993 -3.736 7.106 177 HA THR 21 HA THR 21 10.674 -2.669 6.839 178 HB THR 21 HB THR 21 8.448 -2.594 4.787 179 HG1 THR 21 HG1 THR 21 10.305 -4.516 4.364 180 HG21 THR 21 3HG2 THR 21 11.462 -2.485 4.508 181 HG22 THR 21 1HG2 THR 21 10.356 -1.129 4.284 182 HG23 THR 21 2HG2 THR 21 10.305 -2.502 3.177 183 H PHE 22 H PHE 22 7.366 -1.294 6.654 184 HA PHE 22 HA PHE 22 8.334 1.286 7.503 185 HB2 PHE 22 2HB PHE 22 7.892 2.543 5.535 186 HB3 PHE 22 1HB PHE 22 8.850 1.165 5.009 187 HD1 PHE 22 HD1 PHE 22 7.339 -0.959 4.324 188 HD2 PHE 22 HD2 PHE 22 6.077 3.110 4.235 189 HE1 PHE 22 HE1 PHE 22 5.597 -1.534 2.686 190 HE2 PHE 22 HE2 PHE 22 4.334 2.538 2.597 191 HZ PHE 22 HZ PHE 22 4.091 0.215 1.824 192 H ASP 23 H ASP 23 6.610 2.865 7.800 193 HA ASP 23 HA ASP 23 3.909 1.692 7.999 194 HB2 ASP 23 2HB ASP 23 5.132 4.157 9.269 195 HB3 ASP 23 1HB ASP 23 3.427 3.743 9.400 196 H PHE 24 H PHE 24 2.438 2.243 6.454 197 HA PHE 24 HA PHE 24 2.783 4.816 5.062 198 HB2 PHE 24 2HB PHE 24 1.440 3.998 3.282 199 HB3 PHE 24 1HB PHE 24 2.536 2.687 3.691 200 HD1 PHE 24 HD1 PHE 24 1.528 0.969 5.483 201 HD2 PHE 24 HD2 PHE 24 -0.769 3.484 2.918 202 HE1 PHE 24 HE1 PHE 24 -0.394 -0.546 5.710 203 HE2 PHE 24 HE2 PHE 24 -2.692 1.967 3.150 204 HZ PHE 24 HZ PHE 24 -2.505 -0.051 4.545 205 H LYS 25 H LYS 25 1.608 6.475 5.779 206 HA LYS 25 HA LYS 25 -0.809 5.879 7.373 207 HB2 LYS 25 2HB LYS 25 1.239 6.678 8.616 208 HB3 LYS 25 1HB LYS 25 1.075 8.209 7.773 209 HG2 LYS 25 2HG LYS 25 -1.003 8.673 8.843 210 HG3 LYS 25 1HG LYS 25 -1.100 7.035 9.496 211 HD2 LYS 25 2HD LYS 25 0.939 9.146 10.239 212 HD3 LYS 25 1HD LYS 25 -0.406 8.590 11.240 213 HE2 LYS 25 2HE LYS 25 0.571 6.338 11.302 214 HE3 LYS 25 1HE LYS 25 1.912 6.887 10.298 215 HZ1 LYS 25 3HZ LYS 25 2.522 8.440 12.065 216 HZ2 LYS 25 1HZ LYS 25 2.551 6.836 12.602 217 HZ3 LYS 25 2HZ LYS 25 1.264 7.847 13.032 218 H LEU 26 H LEU 26 -2.645 7.037 6.995 219 HA LEU 26 HA LEU 26 -2.762 8.543 4.524 220 HB2 LEU 26 2HB LEU 26 -4.949 7.877 6.508 221 HB3 LEU 26 1HB LEU 26 -5.193 8.575 4.922 222 HG LEU 26 HG LEU 26 -5.764 6.302 4.700 223 HD11 LEU 26 1HD1 LEU 26 -2.928 6.520 3.703 224 HD12 LEU 26 2HD1 LEU 26 -4.359 7.141 2.881 225 HD13 LEU 26 3HD1 LEU 26 -4.166 5.405 3.123 226 HD21 LEU 26 3HD2 LEU 26 -3.180 5.552 6.072 227 HD22 LEU 26 1HD2 LEU 26 -4.381 4.433 5.423 228 HD23 LEU 26 2HD2 LEU 26 -4.792 5.475 6.785 229 H ALA 27 H ALA 27 -2.317 10.674 4.487 230 HA ALA 27 HA ALA 27 -2.005 12.334 6.704 231 HB1 ALA 27 3HB ALA 27 -1.931 14.191 5.142 232 HB2 ALA 27 1HB ALA 27 -2.678 13.197 3.891 233 HB3 ALA 27 2HB ALA 27 -1.062 12.806 4.480 234 H ALA 28 H ALA 28 -4.909 11.581 4.903 235 HA ALA 28 HA ALA 28 -6.535 13.668 5.985 236 HB1 ALA 28 3HB ALA 28 -7.091 12.514 3.886 237 HB2 ALA 28 1HB ALA 28 -8.414 12.428 5.052 238 HB3 ALA 28 2HB ALA 28 -7.378 11.024 4.786 239 H PHE 29 H PHE 29 -5.669 10.437 7.066 240 HA PHE 29 HA PHE 29 -7.293 10.830 9.505 241 HB2 PHE 29 2HB PHE 29 -6.815 8.146 8.180 242 HB3 PHE 29 1HB PHE 29 -7.853 8.483 9.560 243 HD1 PHE 29 HD1 PHE 29 -9.877 10.014 9.170 244 HD2 PHE 29 HD2 PHE 29 -7.687 8.181 6.009 245 HE1 PHE 29 HE1 PHE 29 -11.791 10.337 7.656 246 HE2 PHE 29 HE2 PHE 29 -9.597 8.504 4.494 247 HZ PHE 29 HZ PHE 29 -11.653 9.585 5.317 248 HA PRO 30 HA PRO 30 -2.773 10.052 10.449 249 HB2 PRO 30 2HB PRO 30 -2.367 12.136 12.119 250 HB3 PRO 30 1HB PRO 30 -2.319 12.311 10.360 251 HG2 PRO 30 2HG PRO 30 -4.553 12.946 12.259 252 HG3 PRO 30 1HG PRO 30 -3.937 13.904 10.898 253 HD2 PRO 30 2HD PRO 30 -6.167 12.345 10.722 254 HD3 PRO 30 1HD PRO 30 -5.105 12.669 9.337 255 H ASN 31 H ASN 31 -5.618 10.273 12.386 256 HA ASN 31 HA ASN 31 -4.280 9.356 14.819 257 HB2 ASN 31 2HB ASN 31 -7.215 9.863 14.277 258 HB3 ASN 31 1HB ASN 31 -6.513 9.482 15.848 259 HD21 ASN 31 1HD2 ASN 31 -6.849 11.884 13.378 260 HD22 ASN 31 2HD2 ASN 31 -6.260 13.211 14.311 261 H GLN 32 H GLN 32 -5.610 7.959 12.066 262 HA GLN 32 HA GLN 32 -6.600 5.557 13.429 263 HB2 GLN 32 2HB GLN 32 -6.842 6.476 10.555 264 HB3 GLN 32 1HB GLN 32 -7.543 4.995 11.195 265 HG2 GLN 32 2HG GLN 32 -8.205 7.757 12.206 266 HG3 GLN 32 1HG GLN 32 -9.147 6.887 10.994 267 HE21 GLN 32 1HE2 GLN 32 -9.802 7.810 13.747 268 HE22 GLN 32 2HE2 GLN 32 -10.382 6.403 14.561 269 H ASN 33 H ASN 33 -6.132 3.443 12.373 270 HA ASN 33 HA ASN 33 -3.395 3.299 11.246 271 HB2 ASN 33 2HB ASN 33 -3.715 2.469 13.667 272 HB3 ASN 33 1HB ASN 33 -4.658 1.155 12.976 273 HD21 ASN 33 1HD2 ASN 33 -2.230 0.937 14.469 274 HD22 ASN 33 2HD2 ASN 33 -1.061 0.203 13.431 275 H TYR 34 H TYR 34 -3.051 1.434 9.771 276 HA TYR 34 HA TYR 34 -5.126 1.173 7.902 277 HB2 TYR 34 2HB TYR 34 -3.714 -0.637 6.870 278 HB3 TYR 34 1HB TYR 34 -2.905 0.902 7.111 279 HD1 TYR 34 HD1 TYR 34 -3.208 -2.552 8.467 280 HD2 TYR 34 HD2 TYR 34 -0.927 1.046 8.398 281 HE1 TYR 34 HE1 TYR 34 -1.368 -3.696 9.624 282 HE2 TYR 34 HE2 TYR 34 0.912 -0.092 9.564 283 HH TYR 34 HH TYR 34 1.379 -1.981 10.878 284 H ASP 35 H ASP 35 -4.304 -0.863 10.656 285 HA ASP 35 HA ASP 35 -5.983 -3.058 10.031 286 HB2 ASP 35 2HB ASP 35 -5.149 -1.994 12.742 287 HB3 ASP 35 1HB ASP 35 -5.886 -3.567 12.457 288 H GLN 36 H GLN 36 -6.799 0.134 10.838 289 HA GLN 36 HA GLN 36 -9.519 -0.660 11.690 290 HB2 GLN 36 2HB GLN 36 -7.993 1.827 12.511 291 HB3 GLN 36 1HB GLN 36 -9.609 1.378 13.044 292 HG2 GLN 36 2HG GLN 36 -8.733 -0.551 14.214 293 HG3 GLN 36 1HG GLN 36 -7.113 -0.223 13.600 294 HE21 GLN 36 1HE2 GLN 36 -6.246 -0.034 15.658 295 HE22 GLN 36 2HE2 GLN 36 -6.564 1.322 16.676 296 H LEU 37 H LEU 37 -8.034 0.366 9.047 297 HA LEU 37 HA LEU 37 -9.927 2.549 8.428 298 HB2 LEU 37 2HB LEU 37 -7.216 2.605 8.243 299 HB3 LEU 37 1HB LEU 37 -7.620 2.077 6.623 300 HG LEU 37 HG LEU 37 -7.352 4.481 6.641 301 HD11 LEU 37 1HD1 LEU 37 -9.481 5.205 5.728 302 HD12 LEU 37 2HD1 LEU 37 -10.288 3.808 6.442 303 HD13 LEU 37 3HD1 LEU 37 -9.092 3.581 5.167 304 HD21 LEU 37 3HD2 LEU 37 -7.789 4.880 9.009 305 HD22 LEU 37 1HD2 LEU 37 -9.503 4.542 8.761 306 HD23 LEU 37 2HD2 LEU 37 -8.760 5.946 7.994 307 H LEU 38 H LEU 38 -11.340 2.348 6.759 308 HA LEU 38 HA LEU 38 -11.746 -0.267 5.629 309 HB2 LEU 38 2HB LEU 38 -13.248 2.331 5.245 310 HB3 LEU 38 1HB LEU 38 -13.735 0.803 4.538 311 HG LEU 38 HG LEU 38 -15.098 1.156 6.455 312 HD11 LEU 38 1HD1 LEU 38 -14.336 -1.135 6.146 313 HD12 LEU 38 2HD1 LEU 38 -14.576 -0.769 7.854 314 HD13 LEU 38 3HD1 LEU 38 -12.945 -0.826 7.186 315 HD21 LEU 38 3HD2 LEU 38 -14.209 1.536 8.705 316 HD22 LEU 38 1HD2 LEU 38 -13.752 2.834 7.600 317 HD23 LEU 38 2HD2 LEU 38 -12.572 1.601 8.052 318 HA PRO 39 HA PRO 39 -9.381 0.004 1.948 319 HB2 PRO 39 2HB PRO 39 -11.136 -1.273 0.189 320 HB3 PRO 39 1HB PRO 39 -9.977 -2.075 1.253 321 HG2 PRO 39 2HG PRO 39 -12.903 -1.591 1.656 322 HG3 PRO 39 1HG PRO 39 -11.930 -3.017 2.068 323 HD2 PRO 39 2HD PRO 39 -12.677 -1.272 3.950 324 HD3 PRO 39 1HD PRO 39 -11.065 -2.021 3.993 325 H SER 40 H SER 40 -12.850 0.680 1.302 326 HA SER 40 HA SER 40 -12.427 2.197 -1.036 327 HB2 SER 40 2HB SER 40 -14.731 2.360 0.929 328 HB3 SER 40 1HB SER 40 -14.729 3.038 -0.699 329 HG SER 40 HG SER 40 -14.588 0.969 -1.543 330 H GLN 41 H GLN 41 -12.331 3.109 2.345 331 HA GLN 41 HA GLN 41 -12.372 5.948 1.877 332 HB2 GLN 41 2HB GLN 41 -11.447 4.436 4.336 333 HB3 GLN 41 1HB GLN 41 -11.833 6.150 4.253 334 HG2 GLN 41 2HG GLN 41 -13.765 3.868 3.866 335 HG3 GLN 41 1HG GLN 41 -13.636 4.897 5.290 336 HE21 GLN 41 1HE2 GLN 41 -15.908 4.428 3.529 337 HE22 GLN 41 2HE2 GLN 41 -16.369 5.976 2.917 338 H ILE 42 H ILE 42 -9.865 3.507 2.369 339 HA ILE 42 HA ILE 42 -7.635 5.146 2.730 340 HB ILE 42 HB ILE 42 -7.748 2.474 1.304 341 HG12 ILE 42 2HG1 ILE 42 -7.153 3.142 4.201 342 HG13 ILE 42 1HG1 ILE 42 -8.639 2.412 3.605 343 HG21 ILE 42 1HG2 ILE 42 -5.367 2.275 1.853 344 HG22 ILE 42 2HG2 ILE 42 -5.384 3.906 2.529 345 HG23 ILE 42 3HG2 ILE 42 -5.672 3.660 0.807 346 HD11 ILE 42 3HD1 ILE 42 -7.195 0.748 4.597 347 HD12 ILE 42 1HD1 ILE 42 -5.890 1.185 3.490 348 HD13 ILE 42 2HD1 ILE 42 -7.371 0.455 2.867 349 H TYR 43 H TYR 43 -9.021 3.921 -0.326 350 HA TYR 43 HA TYR 43 -7.049 4.911 -2.047 351 HB2 TYR 43 2HB TYR 43 -8.708 3.289 -2.814 352 HB3 TYR 43 1HB TYR 43 -9.991 4.482 -2.632 353 HD1 TYR 43 HD1 TYR 43 -6.912 3.687 -4.557 354 HD2 TYR 43 HD2 TYR 43 -10.453 6.050 -4.368 355 HE1 TYR 43 HE1 TYR 43 -6.512 4.463 -6.853 356 HE2 TYR 43 HE2 TYR 43 -10.059 6.828 -6.668 357 HH TYR 43 HH TYR 43 -7.775 5.391 -8.740 358 H LYS 44 H LYS 44 -9.875 6.534 -0.694 359 HA LYS 44 HA LYS 44 -9.903 8.755 -2.443 360 HB2 LYS 44 2HB LYS 44 -10.897 8.571 0.413 361 HB3 LYS 44 1HB LYS 44 -11.305 9.850 -0.725 362 HG2 LYS 44 2HG LYS 44 -11.978 6.927 -1.056 363 HG3 LYS 44 1HG LYS 44 -13.091 8.182 -0.517 364 HD2 LYS 44 2HD LYS 44 -11.671 8.413 -3.158 365 HD3 LYS 44 1HD LYS 44 -13.130 7.439 -3.004 366 HE2 LYS 44 2HE LYS 44 -13.677 9.669 -3.800 367 HE3 LYS 44 1HE LYS 44 -14.357 9.406 -2.197 368 HZ1 LYS 44 3HZ LYS 44 -12.586 10.704 -1.246 369 HZ2 LYS 44 1HZ LYS 44 -13.353 11.605 -2.452 370 HZ3 LYS 44 2HZ LYS 44 -11.851 10.895 -2.753 371 H ASN 45 H ASN 45 -7.820 7.989 0.191 372 HA ASN 45 HA ASN 45 -6.993 10.672 0.794 373 HB2 ASN 45 2HB ASN 45 -6.822 8.876 2.452 374 HB3 ASN 45 1HB ASN 45 -5.691 8.007 1.422 375 HD21 ASN 45 1HD2 ASN 45 -3.572 8.737 1.268 376 HD22 ASN 45 2HD2 ASN 45 -2.914 9.894 2.363 377 H TYR 46 H TYR 46 -6.459 8.810 -1.914 378 HA TYR 46 HA TYR 46 -3.755 8.895 -2.478 379 HB2 TYR 46 2HB TYR 46 -4.311 8.558 -4.761 380 HB3 TYR 46 1HB TYR 46 -5.609 7.806 -3.844 381 HD1 TYR 46 HD2 TYR 46 -7.785 9.187 -3.534 382 HD2 TYR 46 HD1 TYR 46 -4.800 10.155 -6.413 383 HE1 TYR 46 HE2 TYR 46 -9.424 10.527 -4.780 384 HE2 TYR 46 HE1 TYR 46 -6.435 11.498 -7.660 385 HH TYR 46 HH TYR 46 -9.478 12.358 -6.370 386 H TYR 47 H TYR 47 -6.082 11.510 -2.697 387 HA TYR 47 HA TYR 47 -4.216 13.283 -4.061 388 HB2 TYR 47 2HB TYR 47 -6.598 13.362 -4.658 389 HB3 TYR 47 1HB TYR 47 -7.014 13.778 -3.000 390 HD1 TYR 47 HD1 TYR 47 -5.371 15.000 -6.077 391 HD2 TYR 47 HD2 TYR 47 -6.819 16.036 -2.207 392 HE1 TYR 47 HE1 TYR 47 -5.113 17.382 -6.623 393 HE2 TYR 47 HE2 TYR 47 -6.565 18.420 -2.745 394 HH TYR 47 HH TYR 47 -5.187 19.821 -4.308 395 H GLN 48 H GLN 48 -5.494 12.753 -0.847 396 HA GLN 48 HA GLN 48 -4.784 15.250 0.284 397 HB2 GLN 48 2HB GLN 48 -5.419 12.568 1.521 398 HB3 GLN 48 1HB GLN 48 -5.034 13.981 2.488 399 HG2 GLN 48 2HG GLN 48 -7.359 13.920 2.475 400 HG3 GLN 48 1HG GLN 48 -6.958 15.142 1.276 401 HE21 GLN 48 1HE2 GLN 48 -9.393 13.569 1.588 402 HE22 GLN 48 2HE2 GLN 48 -9.613 12.726 0.099 403 H GLY 49 H GLY 49 -3.116 12.119 0.145 404 HA2 GLY 49 2HA GLY 49 -0.635 12.485 -0.238 405 HA3 GLY 49 1HA GLY 49 -0.696 13.447 1.229 406 H ILE 50 H ILE 50 0.622 10.798 0.303 407 HA ILE 50 HA ILE 50 -0.253 9.107 2.557 408 HB ILE 50 HB ILE 50 1.474 8.368 0.179 409 HG12 ILE 50 2HG1 ILE 50 -1.418 7.683 0.791 410 HG13 ILE 50 1HG1 ILE 50 -0.886 8.847 -0.416 411 HG21 ILE 50 1HG2 ILE 50 2.013 7.032 2.146 412 HG22 ILE 50 2HG2 ILE 50 1.172 6.051 0.947 413 HG23 ILE 50 3HG2 ILE 50 0.307 6.640 2.368 414 HD11 ILE 50 3HD1 ILE 50 -0.354 5.885 -0.446 415 HD12 ILE 50 1HD1 ILE 50 0.213 7.042 -1.651 416 HD13 ILE 50 2HD1 ILE 50 -1.515 6.758 -1.446 417 H GLU 51 H GLU 51 0.978 9.001 4.318 418 HA GLU 51 HA GLU 51 3.596 10.311 4.316 419 HB2 GLU 51 2HB GLU 51 1.892 9.358 6.635 420 HB3 GLU 51 1HB GLU 51 3.353 10.332 6.758 421 HG2 GLU 51 2HG GLU 51 0.829 11.208 5.356 422 HG3 GLU 51 1HG GLU 51 1.242 11.614 7.018 423 H ILE 52 H ILE 52 5.255 8.982 3.861 424 HA ILE 52 HA ILE 52 5.182 6.177 4.706 425 HB ILE 52 HB ILE 52 7.179 7.617 2.940 426 HG12 ILE 52 2HG1 ILE 52 4.953 7.505 1.917 427 HG13 ILE 52 1HG1 ILE 52 6.074 6.442 1.076 428 HG21 ILE 52 1HG2 ILE 52 6.852 4.666 3.512 429 HG22 ILE 52 2HG2 ILE 52 8.195 5.690 4.022 430 HG23 ILE 52 3HG2 ILE 52 7.941 5.357 2.308 431 HD11 ILE 52 3HD1 ILE 52 3.985 5.600 3.075 432 HD12 ILE 52 1HD1 ILE 52 5.125 4.521 2.270 433 HD13 ILE 52 2HD1 ILE 52 3.915 5.389 1.327 434 H GLN 53 H GLN 53 6.095 5.604 6.574 435 HA GLN 53 HA GLN 53 8.377 7.164 7.618 436 HB2 GLN 53 2HB GLN 53 6.349 7.052 9.059 437 HB3 GLN 53 1HB GLN 53 6.503 5.304 9.110 438 HG2 GLN 53 2HG GLN 53 8.823 6.949 10.003 439 HG3 GLN 53 1HG GLN 53 7.410 6.855 11.051 440 HE21 GLN 53 1HE2 GLN 53 6.858 4.877 11.968 441 HE22 GLN 53 2HE2 GLN 53 7.967 3.557 12.044 442 H GLN 54 H GLN 54 10.272 6.251 7.165 443 HA GLN 54 HA GLN 54 10.469 3.528 6.306 444 HB2 GLN 54 2HB GLN 54 12.893 4.021 6.053 445 HB3 GLN 54 1HB GLN 54 11.843 5.148 5.209 446 HG2 GLN 54 2HG GLN 54 12.265 6.869 6.776 447 HG3 GLN 54 1HG GLN 54 13.008 5.749 7.918 448 HE21 GLN 54 1HE2 GLN 54 14.078 8.203 6.690 449 HE22 GLN 54 2HE2 GLN 54 15.538 7.720 5.903 450 H HIS 55 H HIS 55 10.400 1.901 7.710 451 HA HIS 55 HA HIS 55 11.655 2.147 10.336 452 HB2 HIS 55 2HB HIS 55 9.374 1.122 10.048 453 HB3 HIS 55 1HB HIS 55 10.134 -0.209 9.183 454 HD1 HIS 55 HD1 HIS 55 9.468 1.091 12.582 455 HD2 HIS 55 HD2 HIS 55 11.732 -1.929 10.836 456 HE1 HIS 55 HE1 HIS 55 10.129 -0.428 14.465 457 HE2 HIS 55 HE2 HIS 55 11.384 -2.310 13.371 458 H LYS 56 H LYS 56 12.175 0.559 7.239 459 HA LYS 56 HA LYS 56 14.791 -0.368 8.213 460 HB2 LYS 56 2HB LYS 56 12.705 -2.071 6.884 461 HB3 LYS 56 1HB LYS 56 14.412 -2.467 6.756 462 HG2 LYS 56 2HG LYS 56 14.496 -2.503 9.264 463 HG3 LYS 56 1HG LYS 56 12.735 -2.356 9.247 464 HD2 LYS 56 2HD LYS 56 12.569 -4.407 7.918 465 HD3 LYS 56 1HD LYS 56 14.330 -4.541 7.900 466 HE2 LYS 56 2HE LYS 56 12.600 -4.612 10.382 467 HE3 LYS 56 1HE LYS 56 13.263 -6.030 9.572 468 HZ1 LYS 56 3HZ LYS 56 14.828 -3.849 10.850 469 HZ2 LYS 56 1HZ LYS 56 15.496 -5.156 10.008 470 HZ3 LYS 56 2HZ LYS 56 14.634 -5.421 11.435 471 H TYR 57 H TYR 57 16.338 0.388 6.948 472 HA TYR 57 HA TYR 57 17.662 0.676 5.137 473 HB2 TYR 57 2HB TYR 57 16.036 -1.746 4.412 474 HB3 TYR 57 1HB TYR 57 17.375 -1.193 3.398 475 HD1 TYR 57 HD2 TYR 57 16.554 -2.148 6.898 476 HD2 TYR 57 HD1 TYR 57 19.565 -1.900 3.906 477 HE1 TYR 57 HE2 TYR 57 18.110 -3.341 8.381 478 HE2 TYR 57 HE1 TYR 57 21.137 -3.088 5.380 479 HH TYR 57 HH TYR 57 21.436 -3.479 7.822 480 H GLN 58 H GLN 58 14.898 2.108 4.883 481 HA GLN 58 HA GLN 58 14.435 2.160 2.040 482 HB2 GLN 58 2HB GLN 58 13.397 3.979 4.218 483 HB3 GLN 58 1HB GLN 58 12.848 4.001 2.547 484 HG2 GLN 58 2HG GLN 58 12.555 1.728 4.507 485 HG3 GLN 58 1HG GLN 58 11.274 2.786 3.921 486 HE21 GLN 58 1HE2 GLN 58 12.377 2.745 1.174 487 HE22 GLN 58 2HE2 GLN 58 11.947 1.204 0.540 488 H ASN 59 H ASN 59 16.982 3.312 3.634 489 HA ASN 59 HA ASN 59 17.206 5.906 2.353 490 HB2 ASN 59 2HB ASN 59 18.994 4.298 4.163 491 HB3 ASN 59 1HB ASN 59 19.559 5.775 3.389 492 HD21 ASN 59 1HD2 ASN 59 19.063 5.109 6.232 493 HD22 ASN 59 2HD2 ASN 59 17.987 6.332 6.804 494 H GLU 60 H GLU 60 17.492 2.858 1.193 495 HA GLU 60 HA GLU 60 19.578 3.630 -0.758 496 HB2 GLU 60 2HB GLU 60 20.004 1.576 0.613 497 HB3 GLU 60 1HB GLU 60 18.586 0.839 -0.129 498 HG2 GLU 60 2HG GLU 60 20.624 0.074 -1.208 499 HG3 GLU 60 1HG GLU 60 19.643 1.015 -2.331 500 H LEU 61 H LEU 61 16.443 1.948 -0.477 501 HA LEU 61 HA LEU 61 15.733 3.108 -3.094 502 HB2 LEU 61 2HB LEU 61 14.045 1.200 -3.258 503 HB3 LEU 61 1HB LEU 61 15.730 0.823 -3.535 504 HG LEU 61 HG LEU 61 15.727 0.081 -1.028 505 HD11 LEU 61 1HD1 LEU 61 13.541 0.911 -0.409 506 HD12 LEU 61 2HD1 LEU 61 13.568 -0.845 -0.292 507 HD13 LEU 61 3HD1 LEU 61 12.780 -0.066 -1.663 508 HD21 LEU 61 3HD2 LEU 61 15.084 -2.177 -1.682 509 HD22 LEU 61 1HD2 LEU 61 16.066 -1.415 -2.933 510 HD23 LEU 61 2HD2 LEU 61 14.319 -1.551 -3.143 511 H ASP 62 H ASP 62 13.994 4.425 -3.154 512 HA ASP 62 HA ASP 62 12.795 5.049 -0.558 513 HB2 ASP 62 2HB ASP 62 13.891 6.761 -2.160 514 HB3 ASP 62 1HB ASP 62 12.396 6.643 -3.085 515 H ILE 63 H ILE 63 10.645 4.890 -0.074 516 HA ILE 63 HA ILE 63 8.943 3.506 -2.027 517 HB ILE 63 HB ILE 63 8.707 3.829 0.965 518 HG12 ILE 63 2HG1 ILE 63 9.039 1.412 -0.833 519 HG13 ILE 63 1HG1 ILE 63 10.276 2.111 0.205 520 HG21 ILE 63 1HG2 ILE 63 6.704 2.573 -0.918 521 HG22 ILE 63 2HG2 ILE 63 6.466 4.033 0.043 522 HG23 ILE 63 3HG2 ILE 63 6.651 2.473 0.843 523 HD11 ILE 63 3HD1 ILE 63 9.372 0.133 1.220 524 HD12 ILE 63 1HD1 ILE 63 7.734 0.772 1.097 525 HD13 ILE 63 2HD1 ILE 63 8.904 1.543 2.168 526 H LYS 64 H LYS 64 7.821 4.862 -3.289 527 HA LYS 64 HA LYS 64 6.128 6.865 -1.926 528 HB2 LYS 64 2HB LYS 64 7.318 7.032 -4.711 529 HB3 LYS 64 1HB LYS 64 6.165 8.181 -4.038 530 HG2 LYS 64 2HG LYS 64 7.761 8.812 -2.309 531 HG3 LYS 64 1HG LYS 64 8.911 7.619 -2.909 532 HD2 LYS 64 2HD LYS 64 9.519 9.841 -3.674 533 HD3 LYS 64 1HD LYS 64 9.043 8.840 -5.045 534 HE2 LYS 64 2HE LYS 64 6.885 9.915 -5.142 535 HE3 LYS 64 1HE LYS 64 7.215 10.807 -3.658 536 HZ1 LYS 64 3HZ LYS 64 7.516 12.114 -5.720 537 HZ2 LYS 64 1HZ LYS 64 8.802 11.104 -6.148 538 HZ3 LYS 64 2HZ LYS 64 8.902 12.052 -4.753 539 H ILE 65 H ILE 65 4.086 6.153 -1.879 540 HA ILE 65 HA ILE 65 3.209 4.105 -3.751 541 HB ILE 65 HB ILE 65 1.706 5.337 -1.425 542 HG12 ILE 65 2HG1 ILE 65 3.297 2.758 -1.610 543 HG13 ILE 65 1HG1 ILE 65 3.745 4.184 -0.681 544 HG21 ILE 65 1HG2 ILE 65 0.230 4.323 -3.109 545 HG22 ILE 65 2HG2 ILE 65 0.230 3.395 -1.611 546 HG23 ILE 65 3HG2 ILE 65 1.143 2.815 -3.006 547 HD11 ILE 65 3HD1 ILE 65 2.840 2.460 0.754 548 HD12 ILE 65 1HD1 ILE 65 1.350 2.425 -0.189 549 HD13 ILE 65 2HD1 ILE 65 1.777 3.866 0.737 550 H ILE 66 H ILE 66 2.121 4.513 -5.552 551 HA ILE 66 HA ILE 66 1.272 7.184 -6.217 552 HB ILE 66 HB ILE 66 0.898 4.616 -7.781 553 HG12 ILE 66 2HG1 ILE 66 3.088 6.708 -7.984 554 HG13 ILE 66 1HG1 ILE 66 3.274 5.101 -7.293 555 HG21 ILE 66 1HG2 ILE 66 -0.617 6.339 -8.548 556 HG22 ILE 66 2HG2 ILE 66 0.668 6.118 -9.736 557 HG23 ILE 66 3HG2 ILE 66 0.703 7.504 -8.645 558 HD11 ILE 66 3HD1 ILE 66 2.761 4.121 -9.485 559 HD12 ILE 66 1HD1 ILE 66 4.179 5.168 -9.526 560 HD13 ILE 66 2HD1 ILE 66 2.641 5.744 -10.164 561 H ASN 67 H ASN 67 -0.518 4.077 -6.339 562 HA ASN 67 HA ASN 67 -2.823 5.285 -5.062 563 HB2 ASN 67 2HB ASN 67 -4.358 4.575 -6.938 564 HB3 ASN 67 1HB ASN 67 -3.316 5.949 -7.294 565 HD21 ASN 67 1HD2 ASN 67 -3.423 5.656 -9.484 566 HD22 ASN 67 2HD2 ASN 67 -2.644 4.346 -10.293 567 H PHE 68 H PHE 68 -4.752 3.432 -5.492 568 HA PHE 68 HA PHE 68 -3.566 0.982 -4.341 569 HB2 PHE 68 2HB PHE 68 -6.232 2.212 -3.584 570 HB3 PHE 68 1HB PHE 68 -5.427 0.855 -2.800 571 HD1 PHE 68 HD1 PHE 68 -5.438 4.500 -3.252 572 HD2 PHE 68 HD2 PHE 68 -3.606 1.217 -1.258 573 HE1 PHE 68 HE1 PHE 68 -4.326 6.061 -1.714 574 HE2 PHE 68 HE2 PHE 68 -2.492 2.773 0.288 575 HZ PHE 68 HZ PHE 68 -2.851 5.201 0.062 576 H LEU 69 H LEU 69 -4.145 -0.906 -5.278 577 HA LEU 69 HA LEU 69 -6.273 -0.851 -7.328 578 HB2 LEU 69 2HB LEU 69 -3.845 -2.648 -7.132 579 HB3 LEU 69 1HB LEU 69 -5.091 -2.783 -8.356 580 HG LEU 69 HG LEU 69 -4.477 -0.418 -9.072 581 HD11 LEU 69 1HD1 LEU 69 -2.059 -0.966 -7.352 582 HD12 LEU 69 2HD1 LEU 69 -3.285 0.267 -7.063 583 HD13 LEU 69 3HD1 LEU 69 -2.244 0.377 -8.479 584 HD21 LEU 69 3HD2 LEU 69 -3.819 -2.382 -10.357 585 HD22 LEU 69 1HD2 LEU 69 -2.388 -2.583 -9.346 586 HD23 LEU 69 2HD2 LEU 69 -2.545 -1.163 -10.382 587 H TYR 70 H TYR 70 -7.658 -2.663 -7.568 588 HA TYR 70 HA TYR 70 -8.223 -4.057 -5.068 589 HB2 TYR 70 2HB TYR 70 -9.775 -3.990 -7.674 590 HB3 TYR 70 1HB TYR 70 -10.335 -4.703 -6.164 591 HD1 TYR 70 HD1 TYR 70 -9.756 -2.785 -4.126 592 HD2 TYR 70 HD2 TYR 70 -11.008 -2.076 -8.135 593 HE1 TYR 70 HE1 TYR 70 -10.713 -0.628 -3.443 594 HE2 TYR 70 HE2 TYR 70 -11.964 0.086 -7.458 595 HH TYR 70 HH TYR 70 -11.253 1.599 -4.596 596 HA PRO 71 HA PRO 71 -6.557 -8.058 -5.747 597 HB2 PRO 71 2HB PRO 71 -9.352 -9.137 -5.820 598 HB3 PRO 71 1HB PRO 71 -7.956 -9.696 -4.891 599 HG2 PRO 71 2HG PRO 71 -9.881 -8.253 -3.736 600 HG3 PRO 71 1HG PRO 71 -8.179 -8.025 -3.298 601 HD2 PRO 71 2HD PRO 71 -9.966 -6.282 -4.911 602 HD3 PRO 71 1HD PRO 71 -8.577 -5.847 -3.895 603 H ASP 72 H ASP 72 -9.618 -8.714 -7.423 604 HA ASP 72 HA ASP 72 -8.171 -9.520 -9.818 605 HB2 ASP 72 2HB ASP 72 -11.157 -9.546 -9.300 606 HB3 ASP 72 1HB ASP 72 -10.286 -10.436 -10.550 607 H GLY 73 H GLY 73 -8.934 -6.605 -8.762 608 HA2 GLY 73 2HA GLY 73 -8.951 -4.620 -10.062 609 HA3 GLY 73 1HA GLY 73 -9.611 -5.527 -11.414 610 H ASP 74 H ASP 74 -11.716 -6.809 -9.934 611 HA ASP 74 HA ASP 74 -13.713 -4.780 -10.089 612 HB2 ASP 74 2HB ASP 74 -13.900 -7.599 -8.994 613 HB3 ASP 74 1HB ASP 74 -15.262 -6.568 -9.431 614 H PHE 75 H PHE 75 -14.561 -3.503 -8.541 615 HA PHE 75 HA PHE 75 -13.567 -3.252 -5.957 616 HB2 PHE 75 2HB PHE 75 -15.658 -1.951 -5.474 617 HB3 PHE 75 1HB PHE 75 -14.812 -1.443 -6.930 618 HD1 PHE 75 HD2 PHE 75 -17.831 -3.055 -5.607 619 HD2 PHE 75 HD1 PHE 75 -15.791 -1.783 -9.128 620 HE1 PHE 75 HE2 PHE 75 -19.908 -3.295 -6.900 621 HE2 PHE 75 HE1 PHE 75 -17.868 -2.022 -10.420 622 HZ PHE 75 HZ PHE 75 -19.930 -2.779 -9.308 623 H GLY 76 H GLY 76 -16.249 -5.250 -7.132 624 HA2 GLY 76 2HA GLY 76 -17.252 -6.168 -4.684 625 HA3 GLY 76 1HA GLY 76 -17.264 -7.088 -6.185 626 H SER 77 H SER 77 -14.542 -7.437 -6.618 627 HA SER 77 HA SER 77 -13.895 -9.640 -5.031 628 HB2 SER 77 2HB SER 77 -12.104 -7.884 -6.721 629 HB3 SER 77 1HB SER 77 -11.578 -9.400 -5.988 630 HG SER 77 HG SER 77 -12.378 -10.309 -7.697 631 H ALA 78 H ALA 78 -13.016 -6.249 -4.639 632 HA ALA 78 HA ALA 78 -11.096 -6.546 -2.602 633 HB1 ALA 78 3HB ALA 78 -11.461 -4.449 -3.835 634 HB2 ALA 78 1HB ALA 78 -11.513 -4.204 -2.089 635 HB3 ALA 78 2HB ALA 78 -13.011 -4.247 -3.018 636 H ASN 79 H ASN 79 -14.613 -6.437 -2.484 637 HA ASN 79 HA ASN 79 -14.770 -6.271 0.378 638 HB2 ASN 79 2HB ASN 79 -16.841 -6.868 -1.743 639 HB3 ASN 79 1HB ASN 79 -17.218 -6.772 -0.026 640 HD21 ASN 79 1HD2 ASN 79 -16.232 -4.969 -2.844 641 HD22 ASN 79 2HD2 ASN 79 -16.561 -3.407 -2.191 642 H LYS 80 H LYS 80 -15.104 -8.928 -1.981 643 HA LYS 80 HA LYS 80 -15.905 -10.858 -0.034 644 HB2 LYS 80 2HB LYS 80 -15.643 -12.523 -1.770 645 HB3 LYS 80 1HB LYS 80 -16.424 -11.099 -2.445 646 HG2 LYS 80 2HG LYS 80 -14.380 -10.421 -3.517 647 HG3 LYS 80 1HG LYS 80 -13.485 -11.709 -2.716 648 HD2 LYS 80 2HD LYS 80 -14.839 -13.384 -3.916 649 HD3 LYS 80 1HD LYS 80 -15.698 -12.085 -4.747 650 HE2 LYS 80 2HE LYS 80 -13.692 -11.393 -5.872 651 HE3 LYS 80 1HE LYS 80 -12.709 -12.484 -4.897 652 HZ1 LYS 80 3HZ LYS 80 -14.795 -13.355 -6.828 653 HZ2 LYS 80 1HZ LYS 80 -13.760 -14.356 -5.944 654 HZ3 LYS 80 2HZ LYS 80 -13.135 -13.336 -7.138 655 H ASN 81 H ASN 81 -12.760 -9.909 -1.338 656 HA ASN 81 HA ASN 81 -11.425 -12.042 0.160 657 HB2 ASN 81 2HB ASN 81 -10.481 -10.067 -1.911 658 HB3 ASN 81 1HB ASN 81 -9.348 -11.045 -0.981 659 HD21 ASN 81 1HD2 ASN 81 -8.655 -12.023 -2.890 660 HD22 ASN 81 2HD2 ASN 81 -9.598 -13.232 -3.687 661 H GLY 82 H GLY 82 -11.632 -8.507 0.109 662 HA2 GLY 82 2HA GLY 82 -11.122 -6.978 1.767 663 HA3 GLY 82 1HA GLY 82 -10.715 -8.318 2.826 664 H THR 83 H THR 83 -9.115 -8.416 -0.158 665 HA THR 83 HA THR 83 -6.595 -7.583 1.100 666 HB THR 83 HB THR 83 -5.482 -8.768 -0.759 667 HG1 THR 83 HG1 THR 83 -7.189 -8.469 -2.319 668 HG21 THR 83 3HG2 THR 83 -6.172 -11.070 -0.181 669 HG22 THR 83 1HG2 THR 83 -7.597 -10.426 0.636 670 HG23 THR 83 2HG2 THR 83 -5.984 -10.056 1.247 671 H LEU 84 H LEU 84 -5.296 -5.985 0.241 672 HA LEU 84 HA LEU 84 -6.318 -4.536 -2.127 673 HB2 LEU 84 2HB LEU 84 -5.012 -3.397 0.351 674 HB3 LEU 84 1HB LEU 84 -5.336 -2.471 -1.103 675 HG LEU 84 HG LEU 84 -7.416 -3.743 0.691 676 HD11 LEU 84 1HD1 LEU 84 -8.030 -1.450 1.240 677 HD12 LEU 84 2HD1 LEU 84 -6.724 -0.840 0.223 678 HD13 LEU 84 3HD1 LEU 84 -6.351 -1.770 1.676 679 HD21 LEU 84 3HD2 LEU 84 -9.051 -2.569 -0.727 680 HD22 LEU 84 1HD2 LEU 84 -8.145 -3.780 -1.632 681 HD23 LEU 84 2HD2 LEU 84 -7.748 -2.071 -1.806 682 H LYS 85 H LYS 85 -4.838 -3.771 -3.613 683 HA LYS 85 HA LYS 85 -2.084 -4.802 -3.351 684 HB2 LYS 85 2HB LYS 85 -3.777 -4.170 -5.779 685 HB3 LYS 85 1HB LYS 85 -2.058 -4.534 -5.877 686 HG2 LYS 85 2HG LYS 85 -2.359 -6.750 -5.488 687 HG3 LYS 85 1HG LYS 85 -3.715 -6.489 -4.395 688 HD2 LYS 85 2HD LYS 85 -4.457 -7.639 -6.404 689 HD3 LYS 85 1HD LYS 85 -5.177 -6.034 -6.317 690 HE2 LYS 85 2HE LYS 85 -3.505 -5.210 -7.920 691 HE3 LYS 85 1HE LYS 85 -2.802 -6.826 -8.011 692 HZ1 LYS 85 3HZ LYS 85 -4.859 -7.666 -8.918 693 HZ2 LYS 85 1HZ LYS 85 -4.342 -6.355 -9.853 694 HZ3 LYS 85 2HZ LYS 85 -5.603 -6.161 -8.746 695 H LEU 86 H LEU 86 -0.759 -3.267 -2.612 696 HA LEU 86 HA LEU 86 -1.213 -0.451 -3.080 697 HB2 LEU 86 2HB LEU 86 1.089 -1.883 -1.728 698 HB3 LEU 86 1HB LEU 86 0.890 -0.146 -1.773 699 HG LEU 86 HG LEU 86 0.216 -0.863 0.383 700 HD11 LEU 86 1HD1 LEU 86 -1.202 0.851 -0.591 701 HD12 LEU 86 2HD1 LEU 86 -2.113 -0.183 0.508 702 HD13 LEU 86 3HD1 LEU 86 -2.280 -0.388 -1.236 703 HD21 LEU 86 3HD2 LEU 86 -1.461 -2.566 0.812 704 HD22 LEU 86 1HD2 LEU 86 -0.111 -3.237 -0.105 705 HD23 LEU 86 2HD2 LEU 86 -1.632 -2.864 -0.919 706 H SER 87 H SER 87 -0.356 0.772 -4.680 707 HA SER 87 HA SER 87 1.631 -0.446 -6.468 708 HB2 SER 87 2HB SER 87 -0.370 0.527 -7.512 709 HB3 SER 87 1HB SER 87 0.019 2.099 -6.816 710 HG SER 87 HG SER 87 1.856 2.184 -8.101 711 H LEU 88 H LEU 88 3.608 -0.208 -5.485 712 HA LEU 88 HA LEU 88 4.440 2.453 -4.554 713 HB2 LEU 88 2HB LEU 88 5.701 -0.275 -4.240 714 HB3 LEU 88 1HB LEU 88 6.492 1.206 -3.745 715 HG LEU 88 HG LEU 88 4.596 1.620 -2.157 716 HD11 LEU 88 1HD1 LEU 88 3.798 -1.190 -2.893 717 HD12 LEU 88 2HD1 LEU 88 2.889 0.278 -3.254 718 HD13 LEU 88 3HD1 LEU 88 3.122 -0.224 -1.580 719 HD21 LEU 88 3HD2 LEU 88 5.331 -0.048 -0.512 720 HD22 LEU 88 1HD2 LEU 88 6.690 0.668 -1.380 721 HD23 LEU 88 2HD2 LEU 88 6.133 -0.953 -1.796 722 H MET 89 H MET 89 6.026 3.645 -5.526 723 HA MET 89 HA MET 89 7.530 2.368 -7.721 724 HB2 MET 89 2HB MET 89 7.894 4.656 -8.636 725 HB3 MET 89 1HB MET 89 6.211 4.157 -8.633 726 HG2 MET 89 2HG MET 89 5.802 5.524 -6.655 727 HG3 MET 89 1HG MET 89 7.498 6.013 -6.634 728 HE1 MET 89 3HE MET 89 4.982 8.021 -6.642 729 HE2 MET 89 1HE MET 89 5.533 9.248 -7.785 730 HE3 MET 89 2HE MET 89 6.650 8.591 -6.592 731 H LEU 90 H LEU 90 9.425 1.735 -6.974 732 HA LEU 90 HA LEU 90 10.722 3.014 -4.738 733 HB2 LEU 90 2HB LEU 90 11.561 0.679 -6.465 734 HB3 LEU 90 1HB LEU 90 12.457 1.242 -5.069 735 HG LEU 90 HG LEU 90 11.225 -0.686 -4.403 736 HD11 LEU 90 1HD1 LEU 90 9.809 0.175 -2.611 737 HD12 LEU 90 2HD1 LEU 90 9.803 1.766 -3.372 738 HD13 LEU 90 3HD1 LEU 90 11.310 1.093 -2.748 739 HD21 LEU 90 3HD2 LEU 90 8.800 -0.888 -4.604 740 HD22 LEU 90 1HD2 LEU 90 9.558 -0.721 -6.187 741 HD23 LEU 90 2HD2 LEU 90 8.730 0.655 -5.456 742 H THR 91 H THR 91 12.151 4.608 -4.869 743 HA THR 91 HA THR 91 13.417 5.214 -7.466 744 HB THR 91 HB THR 91 13.275 6.946 -4.978 745 HG1 THR 91 HG1 THR 91 11.324 6.377 -6.558 746 HG21 THR 91 3HG2 THR 91 13.965 8.765 -6.482 747 HG22 THR 91 1HG2 THR 91 14.115 7.616 -7.811 748 HG23 THR 91 2HG2 THR 91 15.188 7.496 -6.415 749 H ASP 92 H ASP 92 15.473 4.611 -7.787 750 HA ASP 92 HA ASP 92 17.209 3.619 -5.780 751 HB2 ASP 92 2HB ASP 92 17.883 4.690 -8.533 752 HB3 ASP 92 1HB ASP 92 18.957 3.724 -7.527 753 H LYS 93 H LYS 93 18.347 4.738 -4.267 754 HA LYS 93 HA LYS 93 18.735 7.577 -4.391 755 HB2 LYS 93 2HB LYS 93 20.112 5.534 -2.622 756 HB3 LYS 93 1HB LYS 93 20.119 7.274 -2.373 757 HG2 LYS 93 2HG LYS 93 17.641 5.562 -2.346 758 HG3 LYS 93 1HG LYS 93 18.544 6.035 -0.909 759 HD2 LYS 93 2HD LYS 93 18.100 8.403 -1.424 760 HD3 LYS 93 1HD LYS 93 17.181 7.913 -2.851 761 HE2 LYS 93 2HE LYS 93 15.570 6.754 -1.463 762 HE3 LYS 93 1HE LYS 93 16.520 7.094 -0.019 763 HZ1 LYS 93 3HZ LYS 93 14.606 8.582 -0.291 764 HZ2 LYS 93 1HZ LYS 93 15.265 9.166 -1.735 765 HZ3 LYS 93 2HZ LYS 93 16.073 9.423 -0.275 766 H LYS 94 H LYS 94 20.286 5.036 -5.929 767 HA LYS 94 HA LYS 94 22.785 6.573 -6.282 768 HB2 LYS 94 2HB LYS 94 22.402 3.590 -6.640 769 HB3 LYS 94 1HB LYS 94 23.923 4.472 -6.705 770 HG2 LYS 94 2HG LYS 94 22.159 4.246 -4.269 771 HG3 LYS 94 1HG LYS 94 23.588 3.260 -4.579 772 HD2 LYS 94 2HD LYS 94 25.049 5.019 -4.216 773 HD3 LYS 94 1HD LYS 94 23.847 6.242 -4.630 774 HE2 LYS 94 2HE LYS 94 24.467 6.130 -2.198 775 HE3 LYS 94 1HE LYS 94 22.743 5.993 -2.538 776 HZ1 LYS 94 3HZ LYS 94 23.428 4.392 -0.886 777 HZ2 LYS 94 1HZ LYS 94 24.581 3.742 -1.937 778 HZ3 LYS 94 2HZ LYS 94 22.932 3.592 -2.284 779 H ASN 95 H ASN 95 20.856 4.132 -8.086 780 HA ASN 95 HA ASN 95 21.845 4.992 -10.623 781 HB2 ASN 95 2HB ASN 95 19.377 3.324 -10.077 782 HB3 ASN 95 1HB ASN 95 20.250 3.436 -11.600 783 HD21 ASN 95 1HD2 ASN 95 20.027 1.876 -8.589 784 HD22 ASN 95 2HD2 ASN 95 21.415 0.860 -8.763 785 H ASN 96 H ASN 96 19.327 6.184 -8.616 786 HA ASN 96 HA ASN 96 17.705 7.755 -8.847 787 HB2 ASN 96 2HB ASN 96 19.495 8.541 -11.147 788 HB3 ASN 96 1HB ASN 96 18.082 9.483 -10.680 789 HD21 ASN 96 1HD2 ASN 96 21.273 8.450 -9.736 790 HD22 ASN 96 2HD2 ASN 96 21.459 9.581 -8.441 791 H GLN 97 H GLN 97 17.436 5.142 -10.319 792 HA GLN 97 HA GLN 97 15.589 5.843 -12.463 793 HB2 GLN 97 2HB GLN 97 16.579 3.192 -11.400 794 HB3 GLN 97 1HB GLN 97 15.348 3.321 -12.649 795 HG2 GLN 97 2HG GLN 97 18.168 4.370 -12.839 796 HG3 GLN 97 1HG GLN 97 17.559 2.896 -13.588 797 HE21 GLN 97 1HE2 GLN 97 18.733 5.258 -14.819 798 HE22 GLN 97 2HE2 GLN 97 17.559 5.849 -15.937 799 H VAL 98 H VAL 98 13.617 4.010 -12.311 800 HA VAL 98 HA VAL 98 12.384 4.184 -9.672 801 HB VAL 98 HB VAL 98 11.628 6.232 -10.693 802 HG11 VAL 98 1HG1 VAL 98 10.604 4.572 -13.003 803 HG12 VAL 98 2HG1 VAL 98 11.989 5.665 -13.043 804 HG13 VAL 98 3HG1 VAL 98 10.367 6.308 -12.781 805 HG21 VAL 98 3HG2 VAL 98 10.014 5.048 -9.312 806 HG22 VAL 98 1HG2 VAL 98 9.434 4.151 -10.716 807 HG23 VAL 98 2HG2 VAL 98 9.195 5.896 -10.622 808 H TYR 99 H TYR 99 11.952 2.118 -9.256 809 HA TYR 99 HA TYR 99 10.867 0.375 -11.368 810 HB2 TYR 99 2HB TYR 99 12.829 -0.474 -10.149 811 HB3 TYR 99 1HB TYR 99 11.964 -0.312 -8.624 812 HD1 TYR 99 HD2 TYR 99 11.677 -2.025 -11.946 813 HD2 TYR 99 HD1 TYR 99 10.829 -2.169 -7.768 814 HE1 TYR 99 HE2 TYR 99 10.800 -4.307 -12.203 815 HE2 TYR 99 HE1 TYR 99 9.949 -4.452 -8.024 816 HH TYR 99 HH TYR 99 9.028 -5.883 -9.744 817 H TYR 100 H TYR 100 8.925 -0.810 -11.035 818 HA TYR 100 HA TYR 100 7.148 0.408 -9.013 819 HB2 TYR 100 2HB TYR 100 6.407 -0.855 -11.668 820 HB3 TYR 100 1HB TYR 100 5.286 -0.108 -10.531 821 HD1 TYR 100 HD2 TYR 100 5.352 2.353 -10.158 822 HD2 TYR 100 HD1 TYR 100 7.746 0.485 -13.149 823 HE1 TYR 100 HE2 TYR 100 5.728 4.539 -11.221 824 HE2 TYR 100 HE1 TYR 100 8.128 2.666 -14.212 825 HH TYR 100 HH TYR 100 7.402 5.604 -12.700 826 H LYS 101 H LYS 101 5.871 -0.868 -7.709 827 HA LYS 101 HA LYS 101 6.019 -3.785 -7.964 828 HB2 LYS 101 2HB LYS 101 7.949 -3.142 -6.562 829 HB3 LYS 101 1HB LYS 101 6.871 -2.295 -5.463 830 HG2 LYS 101 2HG LYS 101 7.405 -4.380 -4.461 831 HG3 LYS 101 1HG LYS 101 5.735 -4.491 -5.019 832 HD2 LYS 101 2HD LYS 101 6.493 -5.704 -7.021 833 HD3 LYS 101 1HD LYS 101 8.160 -5.598 -6.451 834 HE2 LYS 101 2HE LYS 101 7.283 -7.780 -5.919 835 HE3 LYS 101 1HE LYS 101 7.503 -6.870 -4.427 836 HZ1 LYS 101 3HZ LYS 101 4.920 -7.202 -5.854 837 HZ2 LYS 101 1HZ LYS 101 5.146 -6.404 -4.384 838 HZ3 LYS 101 2HZ LYS 101 5.390 -8.073 -4.485 839 H LEU 102 H LEU 102 4.217 -4.822 -7.238 840 HA LEU 102 HA LEU 102 2.150 -3.221 -5.872 841 HB2 LEU 102 2HB LEU 102 1.898 -5.826 -7.400 842 HB3 LEU 102 1HB LEU 102 0.570 -4.975 -6.629 843 HG LEU 102 HG LEU 102 2.215 -3.937 -8.950 844 HD11 LEU 102 1HD1 LEU 102 0.162 -4.219 -10.252 845 HD12 LEU 102 2HD1 LEU 102 -0.632 -4.944 -8.852 846 HD13 LEU 102 3HD1 LEU 102 0.739 -5.757 -9.610 847 HD21 LEU 102 3HD2 LEU 102 -0.183 -2.735 -7.556 848 HD22 LEU 102 1HD2 LEU 102 0.571 -2.114 -9.026 849 HD23 LEU 102 2HD2 LEU 102 1.469 -2.118 -7.509 850 H LEU 103 H LEU 103 1.520 -3.741 -3.830 851 HA LEU 103 HA LEU 103 2.621 -6.214 -2.627 852 HB2 LEU 103 2HB LEU 103 1.916 -3.591 -1.300 853 HB3 LEU 103 1HB LEU 103 2.460 -5.027 -0.452 854 HG LEU 103 HG LEU 103 4.076 -3.403 -2.428 855 HD11 LEU 103 1HD1 LEU 103 3.777 -2.316 -0.255 856 HD12 LEU 103 2HD1 LEU 103 5.446 -2.827 -0.498 857 HD13 LEU 103 3HD1 LEU 103 4.382 -3.762 0.555 858 HD21 LEU 103 3HD2 LEU 103 5.948 -4.873 -1.803 859 HD22 LEU 103 1HD2 LEU 103 4.656 -5.755 -2.617 860 HD23 LEU 103 2HD2 LEU 103 4.839 -5.876 -0.866 861 H GLU 104 H GLU 104 1.145 -7.743 -2.188 862 HA GLU 104 HA GLU 104 -1.679 -7.014 -1.958 863 HB2 GLU 104 2HB GLU 104 -0.614 -9.835 -1.824 864 HB3 GLU 104 1HB GLU 104 -2.201 -9.285 -2.334 865 HG2 GLU 104 2HG GLU 104 -1.252 -9.866 -4.342 866 HG3 GLU 104 1HG GLU 104 -0.891 -8.142 -4.279 867 H VAL 105 H VAL 105 -2.409 -6.482 0.031 868 HA VAL 105 HA VAL 105 -1.631 -8.190 2.321 869 HB VAL 105 HB VAL 105 -1.688 -6.252 3.827 870 HG11 VAL 105 1HG1 VAL 105 0.199 -5.862 1.498 871 HG12 VAL 105 2HG1 VAL 105 0.465 -6.908 2.893 872 HG13 VAL 105 3HG1 VAL 105 0.391 -5.159 3.104 873 HG21 VAL 105 3HG2 VAL 105 -2.054 -4.602 1.319 874 HG22 VAL 105 1HG2 VAL 105 -1.776 -3.965 2.940 875 HG23 VAL 105 2HG2 VAL 105 -3.259 -4.850 2.582 876 H SER 106 H SER 106 -3.231 -7.791 4.246 877 HA SER 106 HA SER 106 -5.971 -7.258 3.342 878 HB2 SER 106 2HB SER 106 -6.817 -9.390 4.198 879 HB3 SER 106 1HB SER 106 -5.598 -9.680 2.961 880 HG SER 106 HG SER 106 -5.309 -11.010 4.812 881 H GLY 107 H GLY 107 -7.494 -7.859 5.399 882 HA2 GLY 107 2HA GLY 107 -7.479 -7.937 7.868 883 HA3 GLY 107 1HA GLY 107 -6.211 -6.728 7.824 884 H PHE 108 H PHE 108 -7.709 -5.313 5.607 885 HA PHE 108 HA PHE 108 -8.888 -3.337 7.232 886 HB2 PHE 108 2HB PHE 108 -9.377 -3.693 4.269 887 HB3 PHE 108 1HB PHE 108 -9.396 -2.193 5.190 888 HD1 PHE 108 HD2 PHE 108 -7.253 -1.249 6.054 889 HD2 PHE 108 HD1 PHE 108 -7.350 -4.592 3.414 890 HE1 PHE 108 HE2 PHE 108 -4.876 -0.901 5.529 891 HE2 PHE 108 HE1 PHE 108 -4.969 -4.249 2.893 892 HZ PHE 108 HZ PHE 108 -3.730 -2.402 3.954 893 H LYS 109 H LYS 109 -10.382 -5.729 5.088 894 HA LYS 109 HA LYS 109 -12.750 -5.886 6.744 895 HB2 LYS 109 2HB LYS 109 -13.245 -3.966 5.204 896 HB3 LYS 109 1HB LYS 109 -13.001 -5.036 3.833 897 HG2 LYS 109 2HG LYS 109 -15.346 -4.818 4.154 898 HG3 LYS 109 1HG LYS 109 -14.898 -6.437 4.694 899 HD2 LYS 109 2HD LYS 109 -14.830 -5.545 7.041 900 HD3 LYS 109 1HD LYS 109 -15.478 -4.025 6.423 901 HE2 LYS 109 2HE LYS 109 -16.812 -6.735 6.334 902 HE3 LYS 109 1HE LYS 109 -17.272 -5.363 7.338 903 HZ1 LYS 109 3HZ LYS 109 -17.444 -5.540 4.381 904 HZ2 LYS 109 1HZ LYS 109 -17.756 -4.134 5.265 905 HZ3 LYS 109 2HZ LYS 109 -18.733 -5.494 5.472 906 H SER 110 H SER 110 -14.239 -7.692 5.814 907 HA SER 110 HA SER 110 -13.247 -9.316 3.689 908 HB2 SER 110 2HB SER 110 -12.672 -11.338 4.952 909 HB3 SER 110 1HB SER 110 -11.624 -10.002 5.423 910 HG SER 110 HG SER 110 -12.460 -10.012 7.374 911 H ASN 111 H ASN 111 -15.120 -9.825 2.743 912 HA ASN 111 HA ASN 111 -17.152 -11.193 4.401 913 HB2 ASN 111 2HB ASN 111 -17.689 -9.347 2.056 914 HB3 ASN 111 1HB ASN 111 -18.910 -10.282 2.912 915 HD21 ASN 111 1HD2 ASN 111 -19.474 -9.679 5.015 916 HD22 ASN 111 2HD2 ASN 111 -19.120 -8.111 5.637 917 HA PRO 112 HA PRO 112 -15.703 -13.930 0.905 918 HB2 PRO 112 2HB PRO 112 -15.268 -16.160 2.412 919 HB3 PRO 112 1HB PRO 112 -14.050 -14.904 2.171 920 HG2 PRO 112 2HG PRO 112 -15.847 -15.372 4.515 921 HG3 PRO 112 1HG PRO 112 -14.144 -14.883 4.486 922 HD2 PRO 112 2HD PRO 112 -16.213 -13.138 4.897 923 HD3 PRO 112 1HD PRO 112 -14.659 -12.668 4.179 924 H TYR 113 H TYR 113 -17.364 -15.632 3.576 925 HA TYR 113 HA TYR 113 -19.405 -16.572 1.721 926 HB2 TYR 113 2HB TYR 113 -20.184 -17.874 3.775 927 HB3 TYR 113 1HB TYR 113 -18.595 -18.282 3.141 928 HD1 TYR 113 HD2 TYR 113 -20.379 -16.586 5.911 929 HD2 TYR 113 HD1 TYR 113 -16.611 -17.918 4.438 930 HE1 TYR 113 HE2 TYR 113 -19.389 -16.230 8.130 931 HE2 TYR 113 HE1 TYR 113 -15.616 -17.563 6.655 932 HH TYR 113 HH TYR 113 -17.423 -17.154 9.431 933 H LEU 114 H LEU 114 -18.992 -14.129 4.092 934 HA LEU 114 HA LEU 114 -21.634 -13.832 5.029 935 HB2 LEU 114 2HB LEU 114 -19.392 -11.817 4.827 936 HB3 LEU 114 1HB LEU 114 -20.888 -11.548 5.706 937 HG LEU 114 HG LEU 114 -18.891 -13.733 6.334 938 HD11 LEU 114 1HD1 LEU 114 -19.400 -11.123 7.756 939 HD12 LEU 114 2HD1 LEU 114 -17.966 -11.530 6.812 940 HD13 LEU 114 3HD1 LEU 114 -18.323 -12.410 8.300 941 HD21 LEU 114 3HD2 LEU 114 -21.358 -12.808 7.816 942 HD22 LEU 114 1HD2 LEU 114 -20.196 -14.004 8.394 943 HD23 LEU 114 2HD2 LEU 114 -21.166 -14.338 6.960 944 H GLU 115 H GLU 115 -20.413 -13.213 1.937 945 HA GLU 115 HA GLU 115 -21.877 -11.010 1.054 946 HB2 GLU 115 2HB GLU 115 -21.821 -12.122 -1.199 947 HB3 GLU 115 1HB GLU 115 -20.253 -12.027 -0.408 948 HG2 GLU 115 2HG GLU 115 -20.149 -14.302 -0.027 949 HG3 GLU 115 1HG GLU 115 -21.899 -14.498 -0.074 950 H HIS 116 H HIS 116 -22.885 -14.383 1.431 951 HA HIS 116 HA HIS 116 -25.606 -13.680 0.535 952 HB2 HIS 116 2HB HIS 116 -25.838 -16.157 0.088 953 HB3 HIS 116 1HB HIS 116 -24.687 -15.308 -0.936 954 HD1 HIS 116 HD1 HIS 116 -22.567 -16.536 -1.246 955 HD2 HIS 116 HD2 HIS 116 -24.346 -17.448 2.398 956 HE1 HIS 116 HE1 HIS 116 -21.084 -18.263 -0.182 957 HE2 HIS 116 HE2 HIS 116 -22.272 -18.913 1.941 958 H HIS 117 H HIS 117 -27.360 -14.147 1.748 959 HA HIS 117 HA HIS 117 -28.651 -14.612 3.560 960 HB2 HIS 117 2HB HIS 117 -26.761 -16.964 3.799 961 HB3 HIS 117 1HB HIS 117 -28.319 -16.831 4.608 962 HD1 HIS 117 HD1 HIS 117 -30.417 -17.339 3.221 963 HD2 HIS 117 HD2 HIS 117 -26.896 -17.464 1.010 964 HE1 HIS 117 HE1 HIS 117 -31.036 -18.387 1.029 965 HE2 HIS 117 HE2 HIS 117 -28.854 -18.639 -0.199 966 H HIS 118 H HIS 118 -26.232 -12.892 4.098 967 HA HIS 118 HA HIS 118 -25.241 -13.592 6.676 968 HB2 HIS 118 2HB HIS 118 -24.381 -11.254 6.780 969 HB3 HIS 118 1HB HIS 118 -23.916 -12.117 5.324 970 HD1 HIS 118 HD1 HIS 118 -24.352 -10.969 3.177 971 HD2 HIS 118 HD2 HIS 118 -26.541 -9.304 6.290 972 HE1 HIS 118 HE1 HIS 118 -25.423 -8.915 2.220 973 HE2 HIS 118 HE2 HIS 118 -26.555 -7.814 4.177 974 H HIS 119 H HIS 119 -28.204 -12.261 5.681 975 HA HIS 119 HA HIS 119 -28.889 -11.289 8.355 976 HB2 HIS 119 2HB HIS 119 -29.723 -10.017 6.449 977 HB3 HIS 119 1HB HIS 119 -30.492 -11.451 5.782 978 HD1 HIS 119 HD1 HIS 119 -30.767 -9.178 8.811 979 HD2 HIS 119 HD2 HIS 119 -33.082 -11.809 6.579 980 HE1 HIS 119 HE1 HIS 119 -33.084 -9.003 9.753 981 HE2 HIS 119 HE2 HIS 119 -34.419 -10.729 8.506 982 H HIS 120 H HIS 120 -28.469 -14.232 7.172 983 HA HIS 120 HA HIS 120 -29.293 -16.325 7.410 984 HB2 HIS 120 2HB HIS 120 -28.940 -15.811 9.789 985 HB3 HIS 120 1HB HIS 120 -30.564 -15.141 9.896 986 HD1 HIS 120 HD1 HIS 120 -29.884 -18.365 8.074 987 HD2 HIS 120 HD2 HIS 120 -31.472 -17.070 11.692 988 HE1 HIS 120 HE1 HIS 120 -30.977 -20.379 9.088 989 HE2 HIS 120 HE2 HIS 120 -32.092 -19.528 11.170 990 H HIS 121 H HIS 121 -30.717 -14.827 5.596 991 HA HIS 121 HA HIS 121 -33.546 -15.163 5.983 992 HB2 HIS 121 2HB HIS 121 -32.722 -13.403 4.506 993 HB3 HIS 121 1HB HIS 121 -31.950 -14.597 3.468 994 HD1 HIS 121 HD1 HIS 121 -35.404 -13.483 4.547 995 HD2 HIS 121 HD2 HIS 121 -33.562 -15.616 1.497 996 HE1 HIS 121 HE1 HIS 121 -37.205 -13.931 2.860 997 HE2 HIS 121 HE2 HIS 121 -36.095 -15.305 1.073 Start of MODEL 15 1 H1 MET 1 1H MET 1 22.799 -11.039 7.334 2 H2 MET 1 2H MET 1 24.233 -10.365 7.920 3 H3 MET 1 3H MET 1 24.282 -11.493 6.661 4 HA MET 1 HA MET 1 23.024 -8.814 6.510 5 HB2 MET 1 2HB MET 1 25.662 -9.836 5.437 6 HB3 MET 1 1HB MET 1 24.922 -8.326 4.925 7 HG2 MET 1 2HG MET 1 25.076 -7.454 7.185 8 HG3 MET 1 1HG MET 1 25.747 -8.984 7.747 9 HE1 MET 1 3HE MET 1 26.362 -5.822 5.458 10 HE2 MET 1 1HE MET 1 26.529 -7.173 4.335 11 HE3 MET 1 2HE MET 1 27.939 -6.207 4.769 12 H LEU 2 H LEU 2 21.794 -8.440 4.734 13 HA LEU 2 HA LEU 2 20.967 -10.555 3.038 14 HB2 LEU 2 2HB LEU 2 20.639 -7.558 2.750 15 HB3 LEU 2 1HB LEU 2 19.875 -8.726 1.694 16 HG LEU 2 HG LEU 2 18.224 -8.018 3.245 17 HD11 LEU 2 1HD1 LEU 2 19.259 -10.712 4.121 18 HD12 LEU 2 2HD1 LEU 2 18.180 -10.395 2.762 19 HD13 LEU 2 3HD1 LEU 2 17.635 -10.087 4.410 20 HD21 LEU 2 3HD2 LEU 2 18.484 -8.129 5.672 21 HD22 LEU 2 1HD2 LEU 2 19.687 -7.060 4.954 22 HD23 LEU 2 2HD2 LEU 2 20.150 -8.680 5.479 23 H SER 3 H SER 3 21.328 -10.846 0.766 24 HA SER 3 HA SER 3 24.062 -10.554 0.016 25 HB2 SER 3 2HB SER 3 22.731 -12.463 -0.762 26 HB3 SER 3 1HB SER 3 21.682 -11.380 -1.676 27 HG SER 3 HG SER 3 23.285 -12.335 -3.005 28 H GLN 4 H GLN 4 25.074 -9.120 -1.317 29 HA GLN 4 HA GLN 4 23.811 -6.589 -1.771 30 HB2 GLN 4 2HB GLN 4 25.957 -5.910 -2.731 31 HB3 GLN 4 1HB GLN 4 26.190 -6.752 -1.205 32 HG2 GLN 4 2HG GLN 4 26.727 -8.813 -2.496 33 HG3 GLN 4 1HG GLN 4 26.625 -7.860 -3.974 34 HE21 GLN 4 1HE2 GLN 4 28.774 -8.200 -4.515 35 HE22 GLN 4 2HE2 GLN 4 30.081 -7.482 -3.640 36 H ALA 5 H ALA 5 23.601 -9.408 -3.456 37 HA ALA 5 HA ALA 5 23.647 -8.407 -6.156 38 HB1 ALA 5 3HB ALA 5 24.253 -10.727 -5.634 39 HB2 ALA 5 1HB ALA 5 22.914 -10.641 -6.778 40 HB3 ALA 5 2HB ALA 5 22.604 -11.028 -5.085 41 H ASN 6 H ASN 6 21.849 -8.186 -7.564 42 HA ASN 6 HA ASN 6 19.664 -6.806 -6.433 43 HB2 ASN 6 2HB ASN 6 20.085 -7.923 -9.211 44 HB3 ASN 6 1HB ASN 6 18.705 -6.923 -8.770 45 HD21 ASN 6 1HD2 ASN 6 21.889 -6.371 -7.424 46 HD22 ASN 6 2HD2 ASN 6 22.197 -4.911 -8.283 47 H GLU 7 H GLU 7 20.083 -10.176 -7.199 48 HA GLU 7 HA GLU 7 17.404 -11.000 -7.297 49 HB2 GLU 7 2HB GLU 7 18.249 -13.238 -6.648 50 HB3 GLU 7 1HB GLU 7 19.167 -12.504 -7.956 51 HG2 GLU 7 2HG GLU 7 20.947 -11.912 -6.429 52 HG3 GLU 7 1HG GLU 7 20.013 -12.521 -5.062 53 H ASP 8 H ASP 8 19.443 -10.243 -4.519 54 HA ASP 8 HA ASP 8 17.566 -11.272 -2.587 55 HB2 ASP 8 2HB ASP 8 20.127 -10.883 -2.313 56 HB3 ASP 8 1HB ASP 8 19.688 -9.211 -1.982 57 H PHE 9 H PHE 9 18.464 -8.057 -3.803 58 HA PHE 9 HA PHE 9 16.725 -6.535 -2.238 59 HB2 PHE 9 2HB PHE 9 17.916 -6.015 -4.963 60 HB3 PHE 9 1HB PHE 9 16.930 -4.824 -4.119 61 HD1 PHE 9 HD2 PHE 9 20.133 -6.628 -4.112 62 HD2 PHE 9 HD1 PHE 9 17.758 -3.669 -2.169 63 HE1 PHE 9 HE2 PHE 9 22.105 -5.866 -2.858 64 HE2 PHE 9 HE1 PHE 9 19.731 -2.909 -0.915 65 HZ PHE 9 HZ PHE 9 21.909 -4.004 -1.256 66 H LYS 10 H LYS 10 16.098 -8.074 -5.413 67 HA LYS 10 HA LYS 10 13.547 -6.997 -5.845 68 HB2 LYS 10 2HB LYS 10 13.127 -8.800 -7.365 69 HB3 LYS 10 1HB LYS 10 14.828 -8.384 -7.506 70 HG2 LYS 10 2HG LYS 10 15.443 -10.308 -6.160 71 HG3 LYS 10 1HG LYS 10 13.743 -10.709 -5.914 72 HD2 LYS 10 2HD LYS 10 13.507 -11.009 -8.370 73 HD3 LYS 10 1HD LYS 10 15.237 -10.710 -8.543 74 HE2 LYS 10 2HE LYS 10 14.792 -13.100 -8.564 75 HE3 LYS 10 1HE LYS 10 15.703 -12.665 -7.120 76 HZ1 LYS 10 3HZ LYS 10 13.758 -12.843 -5.796 77 HZ2 LYS 10 1HZ LYS 10 13.828 -14.239 -6.749 78 HZ3 LYS 10 2HZ LYS 10 12.754 -12.994 -7.150 79 H LYS 11 H LYS 11 14.581 -9.713 -3.864 80 HA LYS 11 HA LYS 11 12.030 -10.624 -3.043 81 HB2 LYS 11 2HB LYS 11 13.973 -12.009 -2.696 82 HB3 LYS 11 1HB LYS 11 14.758 -10.763 -1.740 83 HG2 LYS 11 2HG LYS 11 12.986 -11.035 -0.019 84 HG3 LYS 11 1HG LYS 11 12.337 -12.384 -0.961 85 HD2 LYS 11 2HD LYS 11 14.403 -13.615 -0.705 86 HD3 LYS 11 1HD LYS 11 15.170 -12.235 0.084 87 HE2 LYS 11 2HE LYS 11 13.515 -12.424 1.923 88 HE3 LYS 11 1HE LYS 11 12.868 -13.871 1.149 89 HZ1 LYS 11 3HZ LYS 11 15.016 -14.935 1.409 90 HZ2 LYS 11 1HZ LYS 11 14.442 -14.408 2.908 91 HZ3 LYS 11 2HZ LYS 11 15.657 -13.543 2.117 92 H ILE 12 H ILE 12 14.363 -8.408 -1.479 93 HA ILE 12 HA ILE 12 12.859 -7.645 0.729 94 HB ILE 12 HB ILE 12 14.736 -5.893 -0.883 95 HG12 ILE 12 2HG1 ILE 12 15.285 -7.663 1.522 96 HG13 ILE 12 1HG1 ILE 12 15.770 -8.009 -0.134 97 HG21 ILE 12 1HG2 ILE 12 15.038 -4.637 1.227 98 HG22 ILE 12 2HG2 ILE 12 13.766 -5.610 1.967 99 HG23 ILE 12 3HG2 ILE 12 13.386 -4.543 0.615 100 HD11 ILE 12 3HD1 ILE 12 16.734 -5.716 1.563 101 HD12 ILE 12 1HD1 ILE 12 17.194 -6.009 -0.114 102 HD13 ILE 12 2HD1 ILE 12 17.638 -7.170 1.137 103 H VAL 13 H VAL 13 12.767 -6.314 -2.568 104 HA VAL 13 HA VAL 13 10.923 -4.234 -2.062 105 HB VAL 13 HB VAL 13 11.422 -5.725 -4.656 106 HG11 VAL 13 1HG1 VAL 13 10.093 -3.049 -4.175 107 HG12 VAL 13 2HG1 VAL 13 9.294 -4.524 -4.718 108 HG13 VAL 13 3HG1 VAL 13 10.482 -3.733 -5.754 109 HG21 VAL 13 3HG2 VAL 13 12.911 -3.866 -5.208 110 HG22 VAL 13 1HG2 VAL 13 13.444 -4.670 -3.732 111 HG23 VAL 13 2HG2 VAL 13 12.595 -3.127 -3.637 112 H ASN 14 H ASN 14 10.408 -7.614 -3.123 113 HA ASN 14 HA ASN 14 7.527 -7.295 -3.020 114 HB2 ASN 14 2HB ASN 14 9.270 -9.721 -3.473 115 HB3 ASN 14 1HB ASN 14 7.511 -9.798 -3.412 116 HD21 ASN 14 1HD2 ASN 14 10.252 -8.912 -5.283 117 HD22 ASN 14 2HD2 ASN 14 9.394 -8.469 -6.712 118 H ASN 15 H ASN 15 9.841 -7.660 -0.664 119 HA ASN 15 HA ASN 15 8.023 -9.010 1.207 120 HB2 ASN 15 2HB ASN 15 10.931 -8.227 1.377 121 HB3 ASN 15 1HB ASN 15 10.018 -8.635 2.824 122 HD21 ASN 15 1HD2 ASN 15 9.587 -10.148 -0.323 123 HD22 ASN 15 2HD2 ASN 15 10.149 -11.703 0.163 124 H ILE 16 H ILE 16 8.134 -6.036 0.027 125 HA ILE 16 HA ILE 16 8.258 -4.383 2.329 126 HB ILE 16 HB ILE 16 7.013 -3.888 -0.379 127 HG12 ILE 16 2HG1 ILE 16 9.575 -2.892 0.901 128 HG13 ILE 16 1HG1 ILE 16 9.464 -4.124 -0.351 129 HG21 ILE 16 1HG2 ILE 16 6.924 -1.507 0.262 130 HG22 ILE 16 2HG2 ILE 16 7.392 -1.948 1.903 131 HG23 ILE 16 3HG2 ILE 16 5.855 -2.505 1.246 132 HD11 ILE 16 3HD1 ILE 16 8.571 -2.461 -1.904 133 HD12 ILE 16 1HD1 ILE 16 10.148 -1.989 -1.274 134 HD13 ILE 16 2HD1 ILE 16 8.686 -1.227 -0.648 135 H ARG 17 H ARG 17 6.979 -5.092 3.964 136 HA ARG 17 HA ARG 17 4.080 -5.299 3.529 137 HB2 ARG 17 2HB ARG 17 5.282 -7.062 4.831 138 HB3 ARG 17 1HB ARG 17 5.712 -5.851 6.024 139 HG2 ARG 17 2HG ARG 17 3.850 -7.187 6.803 140 HG3 ARG 17 1HG ARG 17 3.338 -5.520 6.549 141 HD2 ARG 17 2HD ARG 17 1.968 -6.064 4.787 142 HD3 ARG 17 1HD ARG 17 2.971 -7.428 4.288 143 HE ARG 17 HE ARG 17 2.040 -8.601 6.293 144 HH11 ARG 17 1HH1 ARG 17 0.224 -6.055 4.827 145 HH12 ARG 17 2HH1 ARG 17 -1.291 -6.717 5.328 146 HH21 ARG 17 1HH2 ARG 17 0.127 -9.436 6.895 147 HH22 ARG 17 2HH2 ARG 17 -1.345 -8.629 6.486 148 H LEU 18 H LEU 18 2.626 -3.878 4.450 149 HA LEU 18 HA LEU 18 3.556 -1.251 5.047 150 HB2 LEU 18 2HB LEU 18 1.024 -0.908 5.562 151 HB3 LEU 18 1HB LEU 18 1.557 -1.201 3.920 152 HG LEU 18 HG LEU 18 0.885 -3.582 4.147 153 HD11 LEU 18 1HD1 LEU 18 -0.242 -2.717 6.810 154 HD12 LEU 18 2HD1 LEU 18 1.081 -3.857 6.555 155 HD13 LEU 18 3HD1 LEU 18 -0.549 -4.262 6.016 156 HD21 LEU 18 3HD2 LEU 18 -1.512 -3.188 4.005 157 HD22 LEU 18 1HD2 LEU 18 -0.619 -1.927 3.151 158 HD23 LEU 18 2HD2 LEU 18 -1.310 -1.600 4.743 159 H LYS 19 H LYS 19 4.684 -2.868 6.976 160 HA LYS 19 HA LYS 19 3.868 -1.571 9.391 161 HB2 LYS 19 2HB LYS 19 2.252 -3.418 9.371 162 HB3 LYS 19 1HB LYS 19 3.552 -4.581 9.170 163 HG2 LYS 19 2HG LYS 19 2.750 -4.569 11.455 164 HG3 LYS 19 1HG LYS 19 4.420 -4.002 11.385 165 HD2 LYS 19 2HD LYS 19 3.628 -1.681 11.532 166 HD3 LYS 19 1HD LYS 19 1.962 -2.255 11.605 167 HE2 LYS 19 2HE LYS 19 4.131 -2.845 13.623 168 HE3 LYS 19 1HE LYS 19 2.808 -1.700 13.833 169 HZ1 LYS 19 3HZ LYS 19 1.238 -3.509 13.720 170 HZ2 LYS 19 1HZ LYS 19 2.386 -3.832 14.919 171 HZ3 LYS 19 2HZ LYS 19 2.475 -4.624 13.431 172 H ASP 20 H ASP 20 5.583 -4.629 8.601 173 HA ASP 20 HA ASP 20 7.824 -4.093 10.226 174 HB2 ASP 20 2HB ASP 20 7.212 -6.351 9.412 175 HB3 ASP 20 1HB ASP 20 7.677 -5.881 7.781 176 H THR 21 H THR 21 7.287 -3.574 6.753 177 HA THR 21 HA THR 21 9.915 -2.489 6.296 178 HB THR 21 HB THR 21 7.487 -2.338 4.487 179 HG1 THR 21 HG1 THR 21 9.166 -4.144 3.600 180 HG21 THR 21 3HG2 THR 21 9.155 -2.074 2.689 181 HG22 THR 21 1HG2 THR 21 10.442 -2.048 3.896 182 HG23 THR 21 2HG2 THR 21 9.243 -0.756 3.857 183 H PHE 22 H PHE 22 6.623 -1.069 6.187 184 HA PHE 22 HA PHE 22 7.481 1.310 7.516 185 HB2 PHE 22 2HB PHE 22 7.354 2.907 5.771 186 HB3 PHE 22 1HB PHE 22 8.323 1.597 5.107 187 HD1 PHE 22 HD1 PHE 22 7.155 -0.092 3.571 188 HD2 PHE 22 HD2 PHE 22 5.418 3.637 4.683 189 HE1 PHE 22 HE1 PHE 22 5.615 -0.233 1.658 190 HE2 PHE 22 HE2 PHE 22 3.881 3.493 2.772 191 HZ PHE 22 HZ PHE 22 3.976 1.557 1.255 192 H ASP 23 H ASP 23 5.758 2.335 8.449 193 HA ASP 23 HA ASP 23 3.057 1.440 7.813 194 HB2 ASP 23 2HB ASP 23 4.109 3.383 9.886 195 HB3 ASP 23 1HB ASP 23 2.404 2.999 9.682 196 H PHE 24 H PHE 24 1.829 2.463 6.306 197 HA PHE 24 HA PHE 24 2.553 5.176 5.488 198 HB2 PHE 24 2HB PHE 24 1.076 4.906 3.623 199 HB3 PHE 24 1HB PHE 24 2.014 3.429 3.768 200 HD1 PHE 24 HD1 PHE 24 0.869 1.472 5.067 201 HD2 PHE 24 HD2 PHE 24 -1.228 4.783 3.392 202 HE1 PHE 24 HE1 PHE 24 -1.209 0.156 5.058 203 HE2 PHE 24 HE2 PHE 24 -3.306 3.467 3.384 204 HZ PHE 24 HZ PHE 24 -3.299 1.153 4.217 205 H LYS 25 H LYS 25 1.592 6.930 6.288 206 HA LYS 25 HA LYS 25 -0.774 6.540 7.994 207 HB2 LYS 25 2HB LYS 25 1.093 7.463 9.194 208 HB3 LYS 25 1HB LYS 25 1.335 8.706 7.973 209 HG2 LYS 25 2HG LYS 25 -0.811 9.721 8.567 210 HG3 LYS 25 1HG LYS 25 -1.069 8.469 9.784 211 HD2 LYS 25 2HD LYS 25 0.713 9.264 11.122 212 HD3 LYS 25 1HD LYS 25 1.343 10.275 9.817 213 HE2 LYS 25 2HE LYS 25 -1.277 10.673 11.275 214 HE3 LYS 25 1HE LYS 25 0.189 11.633 11.489 215 HZ1 LYS 25 3HZ LYS 25 0.020 12.304 9.149 216 HZ2 LYS 25 1HZ LYS 25 -1.346 12.764 10.032 217 HZ3 LYS 25 2HZ LYS 25 -1.422 11.433 8.997 218 H LEU 26 H LEU 26 -2.637 7.627 7.696 219 HA LEU 26 HA LEU 26 -3.009 9.011 5.171 220 HB2 LEU 26 2HB LEU 26 -5.034 8.365 7.327 221 HB3 LEU 26 1HB LEU 26 -5.399 8.965 5.723 222 HG LEU 26 HG LEU 26 -5.910 6.669 5.662 223 HD11 LEU 26 1HD1 LEU 26 -4.343 5.713 4.062 224 HD12 LEU 26 2HD1 LEU 26 -3.152 6.946 4.474 225 HD13 LEU 26 3HD1 LEU 26 -4.671 7.407 3.704 226 HD21 LEU 26 3HD2 LEU 26 -3.226 6.079 6.916 227 HD22 LEU 26 1HD2 LEU 26 -4.419 4.883 6.403 228 HD23 LEU 26 2HD2 LEU 26 -4.791 5.991 7.725 229 H ALA 27 H ALA 27 -3.302 11.172 4.918 230 HA ALA 27 HA ALA 27 -2.891 12.978 7.111 231 HB1 ALA 27 3HB ALA 27 -3.148 14.742 5.448 232 HB2 ALA 27 1HB ALA 27 -3.737 13.566 4.271 233 HB3 ALA 27 2HB ALA 27 -2.074 13.477 4.850 234 H ALA 28 H ALA 28 -5.685 11.903 5.230 235 HA ALA 28 HA ALA 28 -7.558 13.714 6.413 236 HB1 ALA 28 3HB ALA 28 -7.969 12.686 4.234 237 HB2 ALA 28 1HB ALA 28 -9.274 12.325 5.359 238 HB3 ALA 28 2HB ALA 28 -8.062 11.097 4.987 239 H PHE 29 H PHE 29 -6.550 10.408 7.125 240 HA PHE 29 HA PHE 29 -8.081 10.524 9.651 241 HB2 PHE 29 2HB PHE 29 -7.449 8.051 8.017 242 HB3 PHE 29 1HB PHE 29 -8.336 8.087 9.535 243 HD1 PHE 29 HD1 PHE 29 -10.596 9.177 9.613 244 HD2 PHE 29 HD2 PHE 29 -8.528 8.480 5.948 245 HE1 PHE 29 HE1 PHE 29 -12.702 9.453 8.370 246 HE2 PHE 29 HE2 PHE 29 -10.632 8.758 4.706 247 HZ PHE 29 HZ PHE 29 -12.721 9.244 5.916 248 HA PRO 30 HA PRO 30 -3.542 10.147 10.557 249 HB2 PRO 30 2HB PRO 30 -3.428 11.976 12.539 250 HB3 PRO 30 1HB PRO 30 -3.403 12.431 10.831 251 HG2 PRO 30 2HG PRO 30 -5.695 12.456 12.765 252 HG3 PRO 30 1HG PRO 30 -5.231 13.680 11.568 253 HD2 PRO 30 2HD PRO 30 -7.223 11.860 11.152 254 HD3 PRO 30 1HD PRO 30 -6.248 12.551 9.839 255 H ASN 31 H ASN 31 -6.375 9.698 12.479 256 HA ASN 31 HA ASN 31 -4.820 8.399 14.629 257 HB2 ASN 31 2HB ASN 31 -7.661 9.454 14.662 258 HB3 ASN 31 1HB ASN 31 -6.852 8.670 16.018 259 HD21 ASN 31 1HD2 ASN 31 -7.024 11.528 14.060 260 HD22 ASN 31 2HD2 ASN 31 -6.037 12.525 15.068 261 H GLN 32 H GLN 32 -5.717 7.271 11.947 262 HA GLN 32 HA GLN 32 -7.331 5.013 12.953 263 HB2 GLN 32 2HB GLN 32 -7.129 6.210 10.193 264 HB3 GLN 32 1HB GLN 32 -7.836 4.625 10.478 265 HG2 GLN 32 2HG GLN 32 -8.795 7.212 11.692 266 HG3 GLN 32 1HG GLN 32 -9.530 6.391 10.315 267 HE21 GLN 32 1HE2 GLN 32 -10.690 7.059 12.898 268 HE22 GLN 32 2HE2 GLN 32 -11.223 5.561 13.581 269 H ASN 33 H ASN 33 -6.969 2.937 11.800 270 HA ASN 33 HA ASN 33 -4.140 2.499 11.090 271 HB2 ASN 33 2HB ASN 33 -5.887 0.741 12.839 272 HB3 ASN 33 1HB ASN 33 -4.289 0.292 12.253 273 HD21 ASN 33 1HD2 ASN 33 -6.063 2.319 14.437 274 HD22 ASN 33 2HD2 ASN 33 -4.709 2.823 15.378 275 H TYR 34 H TYR 34 -3.773 1.205 9.357 276 HA TYR 34 HA TYR 34 -5.717 0.898 7.396 277 HB2 TYR 34 2HB TYR 34 -3.989 -0.724 6.359 278 HB3 TYR 34 1HB TYR 34 -3.518 0.951 6.625 279 HD1 TYR 34 HD1 TYR 34 -3.377 -2.387 8.332 280 HD2 TYR 34 HD2 TYR 34 -1.509 1.389 7.704 281 HE1 TYR 34 HE1 TYR 34 -1.438 -3.129 9.650 282 HE2 TYR 34 HE2 TYR 34 0.429 0.652 9.023 283 HH TYR 34 HH TYR 34 1.184 -0.933 10.465 284 H ASP 35 H ASP 35 -4.886 -1.333 9.964 285 HA ASP 35 HA ASP 35 -6.017 -3.656 8.740 286 HB2 ASP 35 2HB ASP 35 -5.838 -4.626 11.052 287 HB3 ASP 35 1HB ASP 35 -4.335 -3.967 10.413 288 H GLN 36 H GLN 36 -7.555 -0.946 9.864 289 HA GLN 36 HA GLN 36 -10.077 -2.436 10.174 290 HB2 GLN 36 2HB GLN 36 -10.786 -1.052 12.029 291 HB3 GLN 36 1HB GLN 36 -9.241 -1.796 12.427 292 HG2 GLN 36 2HG GLN 36 -8.102 0.314 11.819 293 HG3 GLN 36 1HG GLN 36 -9.678 1.051 11.526 294 HE21 GLN 36 1HE2 GLN 36 -9.436 2.594 13.135 295 HE22 GLN 36 2HE2 GLN 36 -9.455 2.191 14.816 296 H LEU 37 H LEU 37 -8.394 -0.044 8.587 297 HA LEU 37 HA LEU 37 -10.687 1.732 8.160 298 HB2 LEU 37 2HB LEU 37 -8.234 2.451 8.731 299 HB3 LEU 37 1HB LEU 37 -7.924 2.153 7.033 300 HG LEU 37 HG LEU 37 -8.343 4.548 7.619 301 HD11 LEU 37 1HD1 LEU 37 -8.646 3.793 5.341 302 HD12 LEU 37 2HD1 LEU 37 -9.850 5.013 5.751 303 HD13 LEU 37 3HD1 LEU 37 -10.303 3.308 5.696 304 HD21 LEU 37 3HD2 LEU 37 -10.633 5.277 8.060 305 HD22 LEU 37 1HD2 LEU 37 -10.038 4.214 9.337 306 HD23 LEU 37 2HD2 LEU 37 -11.161 3.594 8.127 307 H LEU 38 H LEU 38 -11.852 1.698 6.324 308 HA LEU 38 HA LEU 38 -11.556 -0.443 4.500 309 HB2 LEU 38 2HB LEU 38 -13.351 1.985 4.446 310 HB3 LEU 38 1HB LEU 38 -13.433 0.708 3.249 311 HG LEU 38 HG LEU 38 -15.181 0.347 4.832 312 HD11 LEU 38 1HD1 LEU 38 -14.092 -1.664 4.030 313 HD12 LEU 38 2HD1 LEU 38 -14.641 -1.882 5.691 314 HD13 LEU 38 3HD1 LEU 38 -12.933 -1.596 5.359 315 HD21 LEU 38 3HD2 LEU 38 -13.078 0.453 6.998 316 HD22 LEU 38 1HD2 LEU 38 -14.772 0.023 7.233 317 HD23 LEU 38 2HD2 LEU 38 -14.341 1.648 6.702 318 HA PRO 39 HA PRO 39 -8.658 1.027 1.512 319 HB2 PRO 39 2HB PRO 39 -9.781 -0.173 -0.742 320 HB3 PRO 39 1HB PRO 39 -8.668 -0.946 0.389 321 HG2 PRO 39 2HG PRO 39 -11.657 -1.085 0.277 322 HG3 PRO 39 1HG PRO 39 -10.484 -2.374 0.617 323 HD2 PRO 39 2HD PRO 39 -11.864 -1.227 2.594 324 HD3 PRO 39 1HD PRO 39 -10.153 -1.659 2.815 325 H SER 40 H SER 40 -12.108 1.467 0.866 326 HA SER 40 HA SER 40 -11.917 3.326 -1.242 327 HB2 SER 40 2HB SER 40 -14.204 4.011 -0.601 328 HB3 SER 40 1HB SER 40 -14.044 2.254 -0.610 329 HG SER 40 HG SER 40 -14.985 3.630 1.327 330 H GLN 41 H GLN 41 -12.215 3.856 2.269 331 HA GLN 41 HA GLN 41 -11.916 6.675 2.171 332 HB2 GLN 41 2HB GLN 41 -11.396 4.736 4.438 333 HB3 GLN 41 1HB GLN 41 -11.480 6.482 4.614 334 HG2 GLN 41 2HG GLN 41 -13.811 6.469 3.928 335 HG3 GLN 41 1HG GLN 41 -13.740 4.729 3.651 336 HE21 GLN 41 1HE2 GLN 41 -13.829 7.244 6.050 337 HE22 GLN 41 2HE2 GLN 41 -14.180 6.222 7.395 338 H ILE 42 H ILE 42 -9.589 4.024 2.467 339 HA ILE 42 HA ILE 42 -7.266 5.534 2.952 340 HB ILE 42 HB ILE 42 -7.563 2.958 1.383 341 HG12 ILE 42 2HG1 ILE 42 -6.736 3.457 4.260 342 HG13 ILE 42 1HG1 ILE 42 -8.292 2.816 3.740 343 HG21 ILE 42 1HG2 ILE 42 -5.154 2.632 1.755 344 HG22 ILE 42 2HG2 ILE 42 -5.054 4.235 2.484 345 HG23 ILE 42 3HG2 ILE 42 -5.475 4.066 0.780 346 HD11 ILE 42 3HD1 ILE 42 -6.839 1.061 4.563 347 HD12 ILE 42 1HD1 ILE 42 -5.618 1.483 3.363 348 HD13 ILE 42 2HD1 ILE 42 -7.178 0.839 2.848 349 H TYR 43 H TYR 43 -8.725 4.530 -0.159 350 HA TYR 43 HA TYR 43 -6.829 5.829 -1.799 351 HB2 TYR 43 2HB TYR 43 -8.308 4.078 -2.674 352 HB3 TYR 43 1HB TYR 43 -9.705 5.125 -2.438 353 HD1 TYR 43 HD1 TYR 43 -6.459 4.926 -4.272 354 HD2 TYR 43 HD2 TYR 43 -10.386 6.578 -4.160 355 HE1 TYR 43 HE1 TYR 43 -6.114 5.890 -6.507 356 HE2 TYR 43 HE2 TYR 43 -10.047 7.541 -6.397 357 HH TYR 43 HH TYR 43 -7.417 6.673 -8.400 358 H LYS 44 H LYS 44 -9.747 7.016 -0.222 359 HA LYS 44 HA LYS 44 -9.982 9.458 -1.616 360 HB2 LYS 44 2HB LYS 44 -10.756 8.706 1.208 361 HB3 LYS 44 1HB LYS 44 -11.158 10.257 0.481 362 HG2 LYS 44 2HG LYS 44 -12.032 7.560 -0.555 363 HG3 LYS 44 1HG LYS 44 -13.027 8.678 0.380 364 HD2 LYS 44 2HD LYS 44 -11.807 9.276 -2.326 365 HD3 LYS 44 1HD LYS 44 -13.482 8.790 -2.054 366 HE2 LYS 44 2HE LYS 44 -12.177 11.279 -0.932 367 HE3 LYS 44 1HE LYS 44 -13.246 11.228 -2.335 368 HZ1 LYS 44 3HZ LYS 44 -14.457 11.891 -0.380 369 HZ2 LYS 44 1HZ LYS 44 -13.981 10.495 0.448 370 HZ3 LYS 44 2HZ LYS 44 -15.003 10.378 -0.891 371 H ASN 45 H ASN 45 -7.710 8.423 0.798 372 HA ASN 45 HA ASN 45 -6.838 11.042 1.561 373 HB2 ASN 45 2HB ASN 45 -6.482 9.045 2.977 374 HB3 ASN 45 1HB ASN 45 -5.364 8.404 1.778 375 HD21 ASN 45 1HD2 ASN 45 -3.313 9.225 1.659 376 HD22 ASN 45 2HD2 ASN 45 -2.675 10.345 2.805 377 H TYR 46 H TYR 46 -6.382 9.164 -1.229 378 HA TYR 46 HA TYR 46 -3.887 9.950 -2.197 379 HB2 TYR 46 2HB TYR 46 -5.269 8.256 -3.274 380 HB3 TYR 46 1HB TYR 46 -6.488 9.456 -3.668 381 HD1 TYR 46 HD1 TYR 46 -2.845 8.791 -4.271 382 HD2 TYR 46 HD2 TYR 46 -6.522 10.280 -5.825 383 HE1 TYR 46 HE1 TYR 46 -1.791 9.099 -6.472 384 HE2 TYR 46 HE2 TYR 46 -5.473 10.592 -8.022 385 HH TYR 46 HH TYR 46 -3.206 10.903 -8.963 386 H TYR 47 H TYR 47 -6.862 11.753 -1.931 387 HA TYR 47 HA TYR 47 -6.060 13.988 -3.557 388 HB2 TYR 47 2HB TYR 47 -8.235 13.716 -1.460 389 HB3 TYR 47 1HB TYR 47 -8.026 15.116 -2.503 390 HD1 TYR 47 HD1 TYR 47 -8.520 11.404 -2.731 391 HD2 TYR 47 HD2 TYR 47 -9.258 15.226 -4.460 392 HE1 TYR 47 HE1 TYR 47 -9.996 10.362 -4.398 393 HE2 TYR 47 HE2 TYR 47 -10.731 14.191 -6.133 394 HH TYR 47 HH TYR 47 -11.243 12.135 -7.123 395 H GLN 48 H GLN 48 -5.555 13.019 -0.268 396 HA GLN 48 HA GLN 48 -5.018 15.739 0.672 397 HB2 GLN 48 2HB GLN 48 -5.057 13.122 2.196 398 HB3 GLN 48 1HB GLN 48 -4.950 14.729 2.904 399 HG2 GLN 48 2HG GLN 48 -7.277 13.783 1.239 400 HG3 GLN 48 1HG GLN 48 -7.211 13.660 2.993 401 HE21 GLN 48 1HE2 GLN 48 -9.034 15.152 1.250 402 HE22 GLN 48 2HE2 GLN 48 -8.936 16.795 1.770 403 H GLY 49 H GLY 49 -3.354 12.569 0.892 404 HA2 GLY 49 2HA GLY 49 -0.918 12.929 -0.043 405 HA3 GLY 49 1HA GLY 49 -0.812 13.956 1.378 406 H ILE 50 H ILE 50 0.201 11.126 0.347 407 HA ILE 50 HA ILE 50 -0.446 9.508 2.709 408 HB ILE 50 HB ILE 50 1.232 8.766 0.296 409 HG12 ILE 50 2HG1 ILE 50 -1.674 8.098 0.853 410 HG13 ILE 50 1HG1 ILE 50 -1.132 9.320 -0.293 411 HG21 ILE 50 1HG2 ILE 50 1.698 7.403 2.275 412 HG22 ILE 50 2HG2 ILE 50 0.881 6.454 1.033 413 HG23 ILE 50 3HG2 ILE 50 -0.020 7.033 2.435 414 HD11 ILE 50 3HD1 ILE 50 -0.518 6.376 -0.468 415 HD12 ILE 50 1HD1 ILE 50 -0.054 7.614 -1.637 416 HD13 ILE 50 2HD1 ILE 50 -1.757 7.228 -1.388 417 H GLU 51 H GLU 51 0.901 9.474 4.452 418 HA GLU 51 HA GLU 51 3.632 10.506 4.132 419 HB2 GLU 51 2HB GLU 51 2.165 9.846 6.695 420 HB3 GLU 51 1HB GLU 51 3.696 10.699 6.550 421 HG2 GLU 51 2HG GLU 51 2.430 12.449 5.212 422 HG3 GLU 51 1HG GLU 51 0.956 11.652 5.760 423 H ILE 52 H ILE 52 5.453 9.310 4.528 424 HA ILE 52 HA ILE 52 5.041 6.397 4.743 425 HB ILE 52 HB ILE 52 7.441 7.908 3.672 426 HG12 ILE 52 2HG1 ILE 52 5.508 8.186 2.203 427 HG13 ILE 52 1HG1 ILE 52 6.690 7.125 1.449 428 HG21 ILE 52 1HG2 ILE 52 6.824 4.951 3.620 429 HG22 ILE 52 2HG2 ILE 52 8.070 5.738 4.590 430 HG23 ILE 52 3HG2 ILE 52 8.197 5.730 2.832 431 HD11 ILE 52 3HD1 ILE 52 5.346 5.184 2.071 432 HD12 ILE 52 1HD1 ILE 52 4.427 6.328 1.093 433 HD13 ILE 52 2HD1 ILE 52 4.164 6.247 2.836 434 H GLN 53 H GLN 53 5.471 5.524 6.696 435 HA GLN 53 HA GLN 53 7.573 6.705 8.381 436 HB2 GLN 53 2HB GLN 53 5.434 6.245 9.475 437 HB3 GLN 53 1HB GLN 53 5.521 4.559 8.989 438 HG2 GLN 53 2HG GLN 53 6.099 4.799 11.323 439 HG3 GLN 53 1HG GLN 53 7.502 4.258 10.403 440 HE21 GLN 53 1HE2 GLN 53 6.078 6.881 12.170 441 HE22 GLN 53 2HE2 GLN 53 7.513 7.829 12.313 442 H GLN 54 H GLN 54 9.335 6.018 7.095 443 HA GLN 54 HA GLN 54 9.780 3.402 6.201 444 HB2 GLN 54 2HB GLN 54 12.111 4.069 5.843 445 HB3 GLN 54 1HB GLN 54 10.996 5.297 5.274 446 HG2 GLN 54 2HG GLN 54 12.438 5.425 7.917 447 HG3 GLN 54 1HG GLN 54 13.025 6.164 6.432 448 HE21 GLN 54 1HE2 GLN 54 12.302 7.421 8.956 449 HE22 GLN 54 2HE2 GLN 54 11.071 8.571 8.583 450 H HIS 55 H HIS 55 10.513 1.583 7.117 451 HA HIS 55 HA HIS 55 11.820 1.702 9.756 452 HB2 HIS 55 2HB HIS 55 9.327 1.305 9.953 453 HB3 HIS 55 1HB HIS 55 9.569 -0.216 9.105 454 HD1 HIS 55 HD1 HIS 55 10.418 -2.181 10.466 455 HD2 HIS 55 HD2 HIS 55 10.464 1.404 12.570 456 HE1 HIS 55 HE1 HIS 55 10.873 -2.807 12.856 457 HE2 HIS 55 HE2 HIS 55 11.023 -0.618 14.080 458 H LYS 56 H LYS 56 12.590 1.013 6.867 459 HA LYS 56 HA LYS 56 14.090 -1.417 7.483 460 HB2 LYS 56 2HB LYS 56 11.935 -2.162 6.454 461 HB3 LYS 56 1HB LYS 56 12.315 -1.215 5.024 462 HG2 LYS 56 2HG LYS 56 14.226 -2.631 4.551 463 HG3 LYS 56 1HG LYS 56 13.965 -3.534 6.045 464 HD2 LYS 56 2HD LYS 56 12.001 -3.378 3.748 465 HD3 LYS 56 1HD LYS 56 13.134 -4.702 4.017 466 HE2 LYS 56 2HE LYS 56 10.985 -3.838 5.954 467 HE3 LYS 56 1HE LYS 56 10.855 -5.198 4.843 468 HZ1 LYS 56 3HZ LYS 56 12.703 -6.255 5.954 469 HZ2 LYS 56 1HZ LYS 56 11.484 -5.892 7.069 470 HZ3 LYS 56 2HZ LYS 56 12.876 -4.937 6.999 471 H TYR 57 H TYR 57 15.592 -1.910 5.447 472 HA TYR 57 HA TYR 57 17.354 0.115 4.927 473 HB2 TYR 57 2HB TYR 57 16.654 -2.306 3.278 474 HB3 TYR 57 1HB TYR 57 17.944 -1.210 2.808 475 HD1 TYR 57 HD2 TYR 57 16.841 -3.185 5.801 476 HD2 TYR 57 HD1 TYR 57 20.089 -1.723 3.464 477 HE1 TYR 57 HE2 TYR 57 18.419 -4.459 7.196 478 HE2 TYR 57 HE1 TYR 57 21.667 -2.992 4.850 479 HH TYR 57 HH TYR 57 21.735 -3.933 7.159 480 H GLN 58 H GLN 58 16.104 2.063 4.472 481 HA GLN 58 HA GLN 58 15.119 2.225 1.698 482 HB2 GLN 58 2HB GLN 58 14.804 4.275 3.903 483 HB3 GLN 58 1HB GLN 58 14.020 4.294 2.330 484 HG2 GLN 58 2HG GLN 58 13.525 2.406 4.617 485 HG3 GLN 58 1HG GLN 58 12.412 3.579 3.922 486 HE21 GLN 58 1HE2 GLN 58 13.154 2.840 1.156 487 HE22 GLN 58 2HE2 GLN 58 12.397 1.318 0.873 488 H ASN 59 H ASN 59 17.938 2.471 3.134 489 HA ASN 59 HA ASN 59 18.969 4.950 2.117 490 HB2 ASN 59 2HB ASN 59 19.900 3.786 4.106 491 HB3 ASN 59 1HB ASN 59 20.439 2.474 3.066 492 HD21 ASN 59 1HD2 ASN 59 20.914 5.810 3.934 493 HD22 ASN 59 2HD2 ASN 59 22.494 5.958 3.254 494 H GLU 60 H GLU 60 18.221 1.971 0.706 495 HA GLU 60 HA GLU 60 20.007 2.458 -1.594 496 HB2 GLU 60 2HB GLU 60 20.349 0.267 -0.642 497 HB3 GLU 60 1HB GLU 60 18.624 -0.071 -0.673 498 HG2 GLU 60 2HG GLU 60 19.700 -1.267 -2.454 499 HG3 GLU 60 1HG GLU 60 18.678 -0.009 -3.140 500 H LEU 61 H LEU 61 16.644 1.646 -0.738 501 HA LEU 61 HA LEU 61 15.832 2.576 -3.414 502 HB2 LEU 61 2HB LEU 61 13.929 1.015 -3.331 503 HB3 LEU 61 1HB LEU 61 15.477 0.199 -3.347 504 HG LEU 61 HG LEU 61 14.009 0.646 -0.749 505 HD11 LEU 61 1HD1 LEU 61 12.436 -0.457 -2.273 506 HD12 LEU 61 2HD1 LEU 61 12.971 -1.543 -0.992 507 HD13 LEU 61 3HD1 LEU 61 13.642 -1.700 -2.616 508 HD21 LEU 61 3HD2 LEU 61 15.263 -1.330 -0.044 509 HD22 LEU 61 1HD2 LEU 61 16.357 -0.085 -0.641 510 HD23 LEU 61 2HD2 LEU 61 15.970 -1.474 -1.654 511 H ASP 62 H ASP 62 14.285 4.071 -3.540 512 HA ASP 62 HA ASP 62 13.225 5.236 -1.090 513 HB2 ASP 62 2HB ASP 62 14.088 6.774 -2.727 514 HB3 ASP 62 1HB ASP 62 13.108 6.057 -4.001 515 H ILE 63 H ILE 63 11.025 5.444 -0.591 516 HA ILE 63 HA ILE 63 9.186 3.737 -2.151 517 HB ILE 63 HB ILE 63 9.277 4.154 0.843 518 HG12 ILE 63 2HG1 ILE 63 9.574 1.684 -0.896 519 HG13 ILE 63 1HG1 ILE 63 10.847 2.472 0.028 520 HG21 ILE 63 1HG2 ILE 63 6.950 4.218 0.132 521 HG22 ILE 63 2HG2 ILE 63 7.287 2.707 0.977 522 HG23 ILE 63 3HG2 ILE 63 7.166 2.725 -0.783 523 HD11 ILE 63 3HD1 ILE 63 10.077 0.453 1.129 524 HD12 ILE 63 1HD1 ILE 63 8.432 1.088 1.177 525 HD13 ILE 63 2HD1 ILE 63 9.709 1.876 2.104 526 H LYS 64 H LYS 64 8.008 5.150 -3.333 527 HA LYS 64 HA LYS 64 6.295 6.984 -1.778 528 HB2 LYS 64 2HB LYS 64 7.498 7.427 -4.514 529 HB3 LYS 64 1HB LYS 64 6.074 8.306 -3.971 530 HG2 LYS 64 2HG LYS 64 7.420 9.103 -2.008 531 HG3 LYS 64 1HG LYS 64 8.840 8.378 -2.768 532 HD2 LYS 64 2HD LYS 64 7.089 10.433 -4.128 533 HD3 LYS 64 1HD LYS 64 8.514 10.851 -3.179 534 HE2 LYS 64 2HE LYS 64 8.560 9.007 -5.570 535 HE3 LYS 64 1HE LYS 64 8.906 10.734 -5.647 536 HZ1 LYS 64 3HZ LYS 64 10.945 9.509 -5.482 537 HZ2 LYS 64 1HZ LYS 64 10.413 8.709 -4.090 538 HZ3 LYS 64 2HZ LYS 64 10.710 10.369 -4.048 539 H ILE 65 H ILE 65 4.221 6.383 -1.808 540 HA ILE 65 HA ILE 65 3.348 4.283 -3.596 541 HB ILE 65 HB ILE 65 1.764 5.768 -1.480 542 HG12 ILE 65 2HG1 ILE 65 3.182 3.086 -1.356 543 HG13 ILE 65 1HG1 ILE 65 3.690 4.556 -0.531 544 HG21 ILE 65 1HG2 ILE 65 0.221 3.839 -1.614 545 HG22 ILE 65 2HG2 ILE 65 1.153 3.210 -2.974 546 HG23 ILE 65 3HG2 ILE 65 0.300 4.746 -3.123 547 HD11 ILE 65 3HD1 ILE 65 2.584 3.055 1.002 548 HD12 ILE 65 1HD1 ILE 65 1.150 3.022 -0.023 549 HD13 ILE 65 2HD1 ILE 65 1.624 4.518 0.785 550 H ILE 66 H ILE 66 2.665 4.728 -5.574 551 HA ILE 66 HA ILE 66 1.849 7.274 -6.508 552 HB ILE 66 HB ILE 66 1.391 4.565 -7.785 553 HG12 ILE 66 2HG1 ILE 66 3.660 6.543 -8.171 554 HG13 ILE 66 1HG1 ILE 66 3.776 5.021 -7.292 555 HG21 ILE 66 1HG2 ILE 66 -0.025 6.304 -8.759 556 HG22 ILE 66 2HG2 ILE 66 1.228 5.804 -9.894 557 HG23 ILE 66 3HG2 ILE 66 1.391 7.325 -9.016 558 HD11 ILE 66 3HD1 ILE 66 3.296 3.802 -9.359 559 HD12 ILE 66 1HD1 ILE 66 4.720 4.829 -9.513 560 HD13 ILE 66 2HD1 ILE 66 3.191 5.333 -10.231 561 H ASN 67 H ASN 67 -0.022 4.292 -5.879 562 HA ASN 67 HA ASN 67 -2.317 5.696 -4.960 563 HB2 ASN 67 2HB ASN 67 -3.867 5.073 -6.804 564 HB3 ASN 67 1HB ASN 67 -2.639 6.229 -7.306 565 HD21 ASN 67 1HD2 ASN 67 -2.780 5.694 -9.463 566 HD22 ASN 67 2HD2 ASN 67 -2.212 4.189 -10.089 567 H PHE 68 H PHE 68 -4.320 4.034 -5.084 568 HA PHE 68 HA PHE 68 -3.338 1.328 -4.405 569 HB2 PHE 68 2HB PHE 68 -5.626 2.815 -3.072 570 HB3 PHE 68 1HB PHE 68 -5.093 1.183 -2.687 571 HD1 PHE 68 HD2 PHE 68 -2.861 0.837 -1.623 572 HD2 PHE 68 HD1 PHE 68 -4.553 4.713 -2.137 573 HE1 PHE 68 HE2 PHE 68 -1.307 1.738 0.058 574 HE2 PHE 68 HE1 PHE 68 -3.000 5.616 -0.456 575 HZ PHE 68 HZ PHE 68 -1.375 4.127 0.645 576 H LEU 69 H LEU 69 -4.579 -0.406 -5.158 577 HA LEU 69 HA LEU 69 -7.105 0.218 -6.520 578 HB2 LEU 69 2HB LEU 69 -6.512 -1.155 -8.464 579 HB3 LEU 69 1HB LEU 69 -5.495 0.262 -8.305 580 HG LEU 69 HG LEU 69 -4.580 -2.446 -7.338 581 HD11 LEU 69 1HD1 LEU 69 -4.174 -1.268 -10.087 582 HD12 LEU 69 2HD1 LEU 69 -5.193 -2.654 -9.701 583 HD13 LEU 69 3HD1 LEU 69 -3.449 -2.753 -9.470 584 HD21 LEU 69 3HD2 LEU 69 -2.354 -1.465 -7.656 585 HD22 LEU 69 1HD2 LEU 69 -3.321 -0.513 -6.532 586 HD23 LEU 69 2HD2 LEU 69 -3.093 0.045 -8.190 587 H TYR 70 H TYR 70 -8.630 -1.341 -6.514 588 HA TYR 70 HA TYR 70 -8.467 -3.391 -4.524 589 HB2 TYR 70 2HB TYR 70 -10.585 -2.679 -6.570 590 HB3 TYR 70 1HB TYR 70 -10.784 -3.971 -5.394 591 HD1 TYR 70 HD1 TYR 70 -9.416 -0.494 -5.041 592 HD2 TYR 70 HD2 TYR 70 -12.408 -3.304 -3.901 593 HE1 TYR 70 HE1 TYR 70 -10.339 1.139 -3.450 594 HE2 TYR 70 HE2 TYR 70 -13.333 -1.683 -2.306 595 HH TYR 70 HH TYR 70 -12.608 1.551 -2.357 596 HA PRO 71 HA PRO 71 -7.566 -7.129 -6.968 597 HB2 PRO 71 2HB PRO 71 -10.103 -8.154 -5.745 598 HB3 PRO 71 1HB PRO 71 -8.509 -8.916 -5.836 599 HG2 PRO 71 2HG PRO 71 -9.351 -7.846 -3.553 600 HG3 PRO 71 1HG PRO 71 -7.662 -7.661 -4.064 601 HD2 PRO 71 2HD PRO 71 -9.899 -5.673 -4.150 602 HD3 PRO 71 1HD PRO 71 -8.179 -5.421 -3.791 603 H ASP 72 H ASP 72 -7.964 -7.061 -9.109 604 HA ASP 72 HA ASP 72 -8.991 -6.879 -11.128 605 HB2 ASP 72 2HB ASP 72 -11.488 -7.782 -9.668 606 HB3 ASP 72 1HB ASP 72 -11.199 -7.869 -11.403 607 H GLY 73 H GLY 73 -9.302 -4.687 -8.917 608 HA2 GLY 73 2HA GLY 73 -10.167 -2.571 -8.757 609 HA3 GLY 73 1HA GLY 73 -10.580 -2.704 -10.459 610 H ASP 74 H ASP 74 -11.913 -5.103 -8.372 611 HA ASP 74 HA ASP 74 -14.571 -3.915 -8.801 612 HB2 ASP 74 2HB ASP 74 -14.145 -6.131 -9.807 613 HB3 ASP 74 1HB ASP 74 -13.813 -6.786 -8.208 614 H PHE 75 H PHE 75 -16.091 -3.784 -7.181 615 HA PHE 75 HA PHE 75 -15.182 -3.262 -4.561 616 HB2 PHE 75 2HB PHE 75 -17.670 -3.106 -4.038 617 HB3 PHE 75 1HB PHE 75 -17.070 -2.041 -5.302 618 HD1 PHE 75 HD1 PHE 75 -17.597 -2.503 -7.672 619 HD2 PHE 75 HD2 PHE 75 -19.282 -4.824 -4.518 620 HE1 PHE 75 HE1 PHE 75 -19.306 -3.362 -9.216 621 HE2 PHE 75 HE2 PHE 75 -20.989 -5.684 -6.065 622 HZ PHE 75 HZ PHE 75 -21.004 -4.954 -8.417 623 H GLY 76 H GLY 76 -17.174 -5.971 -5.811 624 HA2 GLY 76 2HA GLY 76 -17.406 -7.258 -3.266 625 HA3 GLY 76 1HA GLY 76 -17.797 -7.965 -4.824 626 H SER 77 H SER 77 -15.253 -7.705 -6.032 627 HA SER 77 HA SER 77 -13.999 -10.070 -5.250 628 HB2 SER 77 2HB SER 77 -13.705 -9.055 -7.477 629 HB3 SER 77 1HB SER 77 -12.758 -7.752 -6.760 630 HG SER 77 HG SER 77 -11.393 -9.356 -7.594 631 H ALA 78 H ALA 78 -13.447 -6.784 -4.158 632 HA ALA 78 HA ALA 78 -11.035 -7.312 -2.727 633 HB1 ALA 78 3HB ALA 78 -11.665 -5.054 -3.427 634 HB2 ALA 78 1HB ALA 78 -11.407 -5.139 -1.684 635 HB3 ALA 78 2HB ALA 78 -13.047 -5.099 -2.331 636 H ASN 79 H ASN 79 -14.436 -7.013 -1.687 637 HA ASN 79 HA ASN 79 -14.041 -7.385 1.056 638 HB2 ASN 79 2HB ASN 79 -16.425 -7.939 -0.717 639 HB3 ASN 79 1HB ASN 79 -16.483 -8.160 1.030 640 HD21 ASN 79 1HD2 ASN 79 -16.187 -5.833 -1.549 641 HD22 ASN 79 2HD2 ASN 79 -16.523 -4.444 -0.583 642 H LYS 80 H LYS 80 -14.404 -9.805 -1.508 643 HA LYS 80 HA LYS 80 -14.915 -11.983 0.255 644 HB2 LYS 80 2HB LYS 80 -14.816 -13.397 -1.637 645 HB3 LYS 80 1HB LYS 80 -15.507 -11.885 -2.206 646 HG2 LYS 80 2HG LYS 80 -13.437 -11.247 -3.238 647 HG3 LYS 80 1HG LYS 80 -12.598 -12.619 -2.511 648 HD2 LYS 80 2HD LYS 80 -14.143 -14.130 -3.796 649 HD3 LYS 80 1HD LYS 80 -14.751 -12.698 -4.629 650 HE2 LYS 80 2HE LYS 80 -11.878 -13.648 -4.635 651 HE3 LYS 80 1HE LYS 80 -13.041 -13.888 -5.939 652 HZ1 LYS 80 3HZ LYS 80 -13.199 -11.476 -6.166 653 HZ2 LYS 80 1HZ LYS 80 -11.615 -12.020 -6.407 654 HZ3 LYS 80 2HZ LYS 80 -12.038 -11.274 -4.952 655 H ASN 81 H ASN 81 -11.977 -10.400 -0.577 656 HA ASN 81 HA ASN 81 -10.420 -12.754 0.321 657 HB2 ASN 81 2HB ASN 81 -10.202 -12.062 -2.129 658 HB3 ASN 81 1HB ASN 81 -9.371 -10.623 -1.549 659 HD21 ASN 81 1HD2 ASN 81 -7.293 -10.796 -0.832 660 HD22 ASN 81 2HD2 ASN 81 -6.364 -12.246 -0.941 661 H GLY 82 H GLY 82 -10.745 -9.249 0.499 662 HA2 GLY 82 2HA GLY 82 -10.242 -7.850 2.265 663 HA3 GLY 82 1HA GLY 82 -9.574 -9.225 3.127 664 H THR 83 H THR 83 -8.495 -8.265 -0.080 665 HA THR 83 HA THR 83 -5.976 -7.275 1.106 666 HB THR 83 HB THR 83 -4.787 -8.183 -0.909 667 HG1 THR 83 HG1 THR 83 -5.908 -9.827 -2.096 668 HG21 THR 83 3HG2 THR 83 -4.722 -10.507 -0.117 669 HG22 THR 83 1HG2 THR 83 -6.194 -10.231 0.821 670 HG23 THR 83 2HG2 THR 83 -4.709 -9.372 1.231 671 H LEU 84 H LEU 84 -4.806 -5.718 -0.087 672 HA LEU 84 HA LEU 84 -6.227 -4.334 -2.271 673 HB2 LEU 84 2HB LEU 84 -6.712 -3.172 -0.146 674 HB3 LEU 84 1HB LEU 84 -4.996 -3.015 0.165 675 HG LEU 84 HG LEU 84 -4.823 -1.596 -1.904 676 HD11 LEU 84 1HD1 LEU 84 -6.827 -2.380 -3.051 677 HD12 LEU 84 2HD1 LEU 84 -6.878 -0.633 -2.820 678 HD13 LEU 84 3HD1 LEU 84 -7.839 -1.689 -1.782 679 HD21 LEU 84 3HD2 LEU 84 -4.923 -0.613 0.334 680 HD22 LEU 84 1HD2 LEU 84 -6.685 -0.599 0.259 681 HD23 LEU 84 2HD2 LEU 84 -5.745 0.405 -0.847 682 H LYS 85 H LYS 85 -4.863 -3.471 -3.854 683 HA LYS 85 HA LYS 85 -2.052 -4.254 -3.661 684 HB2 LYS 85 2HB LYS 85 -3.755 -3.297 -5.959 685 HB3 LYS 85 1HB LYS 85 -2.008 -3.445 -6.094 686 HG2 LYS 85 2HG LYS 85 -2.245 -5.854 -5.453 687 HG3 LYS 85 1HG LYS 85 -3.995 -5.649 -5.567 688 HD2 LYS 85 2HD LYS 85 -3.808 -5.052 -7.911 689 HD3 LYS 85 1HD LYS 85 -2.047 -5.106 -7.816 690 HE2 LYS 85 2HE LYS 85 -2.890 -7.133 -8.855 691 HE3 LYS 85 1HE LYS 85 -2.165 -7.512 -7.293 692 HZ1 LYS 85 3HZ LYS 85 -5.071 -7.239 -7.846 693 HZ2 LYS 85 1HZ LYS 85 -4.394 -7.571 -6.331 694 HZ3 LYS 85 2HZ LYS 85 -4.241 -8.689 -7.588 695 H LEU 86 H LEU 86 -0.611 -2.897 -2.883 696 HA LEU 86 HA LEU 86 -0.985 -0.006 -3.051 697 HB2 LEU 86 2HB LEU 86 1.187 -1.671 -1.747 698 HB3 LEU 86 1HB LEU 86 1.126 0.079 -1.709 699 HG LEU 86 HG LEU 86 -1.089 -0.116 -0.500 700 HD11 LEU 86 1HD1 LEU 86 -1.610 -2.213 0.621 701 HD12 LEU 86 2HD1 LEU 86 -0.276 -3.006 -0.217 702 HD13 LEU 86 3HD1 LEU 86 -1.659 -2.403 -1.131 703 HD21 LEU 86 3HD2 LEU 86 1.344 -1.290 0.849 704 HD22 LEU 86 1HD2 LEU 86 -0.060 -0.604 1.669 705 HD23 LEU 86 2HD2 LEU 86 0.970 0.426 0.677 706 H SER 87 H SER 87 -0.147 1.169 -4.689 707 HA SER 87 HA SER 87 1.815 -0.043 -6.493 708 HB2 SER 87 2HB SER 87 0.304 2.581 -6.694 709 HB3 SER 87 1HB SER 87 1.396 1.952 -7.924 710 HG SER 87 HG SER 87 -1.189 1.399 -7.540 711 H LEU 88 H LEU 88 3.864 0.086 -5.632 712 HA LEU 88 HA LEU 88 4.765 2.694 -4.591 713 HB2 LEU 88 2HB LEU 88 5.893 -0.085 -4.276 714 HB3 LEU 88 1HB LEU 88 6.788 1.349 -3.818 715 HG LEU 88 HG LEU 88 4.916 1.918 -2.231 716 HD11 LEU 88 1HD1 LEU 88 4.010 -0.891 -2.853 717 HD12 LEU 88 2HD1 LEU 88 3.145 0.593 -3.252 718 HD13 LEU 88 3HD1 LEU 88 3.386 0.142 -1.566 719 HD21 LEU 88 3HD2 LEU 88 5.623 0.303 -0.534 720 HD22 LEU 88 1HD2 LEU 88 6.993 0.914 -1.462 721 HD23 LEU 88 2HD2 LEU 88 6.356 -0.698 -1.789 722 H MET 89 H MET 89 6.254 3.909 -5.633 723 HA MET 89 HA MET 89 7.636 2.750 -7.962 724 HB2 MET 89 2HB MET 89 8.173 5.100 -8.580 725 HB3 MET 89 1HB MET 89 6.447 4.785 -8.498 726 HG2 MET 89 2HG MET 89 6.340 5.873 -6.318 727 HG3 MET 89 1HG MET 89 8.077 6.160 -6.365 728 HE1 MET 89 3HE MET 89 8.404 8.722 -9.311 729 HE2 MET 89 1HE MET 89 8.557 6.967 -9.404 730 HE3 MET 89 2HE MET 89 9.259 7.844 -8.043 731 H LEU 90 H LEU 90 9.476 1.804 -7.349 732 HA LEU 90 HA LEU 90 11.011 2.786 -5.090 733 HB2 LEU 90 2HB LEU 90 11.491 0.421 -6.919 734 HB3 LEU 90 1HB LEU 90 12.439 0.796 -5.494 735 HG LEU 90 HG LEU 90 10.966 -0.960 -4.888 736 HD11 LEU 90 1HD1 LEU 90 9.595 0.028 -3.123 737 HD12 LEU 90 2HD1 LEU 90 9.820 1.624 -3.839 738 HD13 LEU 90 3HD1 LEU 90 11.203 0.746 -3.184 739 HD21 LEU 90 3HD2 LEU 90 8.531 -0.858 -5.151 740 HD22 LEU 90 1HD2 LEU 90 9.362 -0.792 -6.705 741 HD23 LEU 90 2HD2 LEU 90 8.688 0.678 -6.003 742 H THR 91 H THR 91 12.676 4.158 -5.251 743 HA THR 91 HA THR 91 13.992 4.501 -7.877 744 HB THR 91 HB THR 91 13.979 6.420 -5.524 745 HG1 THR 91 HG1 THR 91 11.955 6.158 -6.763 746 HG21 THR 91 3HG2 THR 91 14.952 8.024 -7.133 747 HG22 THR 91 1HG2 THR 91 15.062 6.735 -8.333 748 HG23 THR 91 2HG2 THR 91 16.015 6.647 -6.850 749 H ASP 92 H ASP 92 15.925 3.564 -8.086 750 HA ASP 92 HA ASP 92 17.354 2.514 -5.813 751 HB2 ASP 92 2HB ASP 92 18.112 2.553 -8.746 752 HB3 ASP 92 1HB ASP 92 18.902 1.598 -7.494 753 H LYS 93 H LYS 93 18.992 3.440 -4.725 754 HA LYS 93 HA LYS 93 20.049 5.995 -5.417 755 HB2 LYS 93 2HB LYS 93 21.008 3.939 -3.409 756 HB3 LYS 93 1HB LYS 93 21.650 5.572 -3.536 757 HG2 LYS 93 2HG LYS 93 18.782 4.876 -2.896 758 HG3 LYS 93 1HG LYS 93 20.013 5.321 -1.713 759 HD2 LYS 93 2HD LYS 93 19.088 7.082 -3.990 760 HD3 LYS 93 1HD LYS 93 18.515 7.202 -2.327 761 HE2 LYS 93 2HE LYS 93 21.386 7.539 -3.210 762 HE3 LYS 93 1HE LYS 93 20.272 8.858 -2.854 763 HZ1 LYS 93 3HZ LYS 93 21.671 8.436 -0.967 764 HZ2 LYS 93 1HZ LYS 93 21.232 6.803 -0.935 765 HZ3 LYS 93 2HZ LYS 93 20.088 7.996 -0.581 766 H LYS 94 H LYS 94 21.123 2.693 -5.976 767 HA LYS 94 HA LYS 94 23.765 3.323 -6.825 768 HB2 LYS 94 2HB LYS 94 23.750 1.038 -7.830 769 HB3 LYS 94 1HB LYS 94 23.276 1.078 -6.137 770 HG2 LYS 94 2HG LYS 94 21.012 0.674 -6.646 771 HG3 LYS 94 1HG LYS 94 21.239 1.069 -8.350 772 HD2 LYS 94 2HD LYS 94 20.998 -1.351 -7.993 773 HD3 LYS 94 1HD LYS 94 22.572 -0.939 -8.671 774 HE2 LYS 94 2HE LYS 94 22.784 -2.634 -6.927 775 HE3 LYS 94 1HE LYS 94 23.587 -1.139 -6.453 776 HZ1 LYS 94 3HZ LYS 94 21.851 -0.618 -4.972 777 HZ2 LYS 94 1HZ LYS 94 22.214 -2.247 -4.698 778 HZ3 LYS 94 2HZ LYS 94 20.836 -1.824 -5.588 779 H ASN 95 H ASN 95 20.724 2.908 -8.654 780 HA ASN 95 HA ASN 95 22.211 3.477 -11.147 781 HB2 ASN 95 2HB ASN 95 19.616 1.970 -10.768 782 HB3 ASN 95 1HB ASN 95 20.397 2.276 -12.318 783 HD21 ASN 95 1HD2 ASN 95 19.750 -0.242 -10.973 784 HD22 ASN 95 2HD2 ASN 95 21.244 -1.101 -10.856 785 H ASN 96 H ASN 96 20.097 5.011 -9.061 786 HA ASN 96 HA ASN 96 18.646 6.768 -9.202 787 HB2 ASN 96 2HB ASN 96 20.000 7.150 -11.883 788 HB3 ASN 96 1HB ASN 96 18.814 8.274 -11.234 789 HD21 ASN 96 1HD2 ASN 96 21.294 6.600 -9.365 790 HD22 ASN 96 2HD2 ASN 96 22.184 8.018 -8.958 791 H GLN 97 H GLN 97 18.100 4.024 -10.572 792 HA GLN 97 HA GLN 97 16.200 4.594 -12.651 793 HB2 GLN 97 2HB GLN 97 16.994 2.062 -11.204 794 HB3 GLN 97 1HB GLN 97 15.722 2.089 -12.418 795 HG2 GLN 97 2HG GLN 97 18.531 3.027 -12.963 796 HG3 GLN 97 1HG GLN 97 18.002 1.363 -13.210 797 HE21 GLN 97 1HE2 GLN 97 16.569 0.906 -14.876 798 HE22 GLN 97 2HE2 GLN 97 16.263 2.020 -16.161 799 H VAL 98 H VAL 98 13.963 3.897 -12.599 800 HA VAL 98 HA VAL 98 12.752 3.811 -9.913 801 HB VAL 98 HB VAL 98 12.319 6.028 -10.816 802 HG11 VAL 98 1HG1 VAL 98 11.076 4.628 -13.184 803 HG12 VAL 98 2HG1 VAL 98 12.572 5.560 -13.191 804 HG13 VAL 98 3HG1 VAL 98 11.034 6.364 -12.876 805 HG21 VAL 98 3HG2 VAL 98 9.873 6.048 -10.700 806 HG22 VAL 98 1HG2 VAL 98 10.560 4.980 -9.474 807 HG23 VAL 98 2HG2 VAL 98 9.839 4.299 -10.934 808 H TYR 99 H TYR 99 11.471 2.119 -9.575 809 HA TYR 99 HA TYR 99 10.418 0.614 -11.893 810 HB2 TYR 99 2HB TYR 99 12.309 -0.588 -10.922 811 HB3 TYR 99 1HB TYR 99 11.580 -0.495 -9.323 812 HD1 TYR 99 HD2 TYR 99 11.108 -1.941 -12.720 813 HD2 TYR 99 HD1 TYR 99 10.056 -2.163 -8.594 814 HE1 TYR 99 HE2 TYR 99 9.959 -4.076 -13.129 815 HE2 TYR 99 HE1 TYR 99 8.906 -4.297 -8.999 816 HH TYR 99 HH TYR 99 7.827 -5.464 -10.958 817 H TYR 100 H TYR 100 8.324 -0.131 -11.768 818 HA TYR 100 HA TYR 100 6.741 0.773 -9.461 819 HB2 TYR 100 2HB TYR 100 5.838 -0.220 -12.179 820 HB3 TYR 100 1HB TYR 100 4.782 0.401 -10.915 821 HD1 TYR 100 HD2 TYR 100 6.381 2.755 -9.997 822 HD2 TYR 100 HD1 TYR 100 5.546 1.328 -13.923 823 HE1 TYR 100 HE2 TYR 100 6.648 5.033 -10.879 824 HE2 TYR 100 HE1 TYR 100 5.812 3.605 -14.810 825 HH TYR 100 HH TYR 100 7.234 6.096 -13.110 826 H LYS 101 H LYS 101 6.278 -0.654 -7.904 827 HA LYS 101 HA LYS 101 5.986 -3.511 -8.631 828 HB2 LYS 101 2HB LYS 101 8.016 -3.037 -7.276 829 HB3 LYS 101 1HB LYS 101 6.994 -2.376 -6.009 830 HG2 LYS 101 2HG LYS 101 7.601 -4.580 -5.360 831 HG3 LYS 101 1HG LYS 101 5.899 -4.619 -5.814 832 HD2 LYS 101 2HD LYS 101 7.770 -5.230 -8.014 833 HD3 LYS 101 1HD LYS 101 7.801 -6.385 -6.686 834 HE2 LYS 101 2HE LYS 101 5.303 -5.528 -8.152 835 HE3 LYS 101 1HE LYS 101 6.215 -6.995 -8.499 836 HZ1 LYS 101 3HZ LYS 101 4.803 -6.343 -5.970 837 HZ2 LYS 101 1HZ LYS 101 5.800 -7.694 -6.182 838 HZ3 LYS 101 2HZ LYS 101 4.383 -7.534 -7.087 839 H LEU 102 H LEU 102 3.974 -4.218 -8.414 840 HA LEU 102 HA LEU 102 2.081 -2.910 -6.616 841 HB2 LEU 102 2HB LEU 102 1.750 -5.129 -8.651 842 HB3 LEU 102 1HB LEU 102 0.450 -4.561 -7.626 843 HG LEU 102 HG LEU 102 0.210 -3.581 -9.811 844 HD11 LEU 102 1HD1 LEU 102 0.166 -1.221 -9.255 845 HD12 LEU 102 2HD1 LEU 102 1.227 -1.508 -7.876 846 HD13 LEU 102 3HD1 LEU 102 -0.398 -2.195 -7.897 847 HD21 LEU 102 3HD2 LEU 102 1.907 -2.096 -10.786 848 HD22 LEU 102 1HD2 LEU 102 2.499 -3.748 -10.615 849 HD23 LEU 102 2HD2 LEU 102 3.013 -2.504 -9.474 850 H LEU 103 H LEU 103 1.749 -3.624 -4.581 851 HA LEU 103 HA LEU 103 2.254 -6.485 -4.008 852 HB2 LEU 103 2HB LEU 103 2.639 -4.171 -2.096 853 HB3 LEU 103 1HB LEU 103 2.879 -5.866 -1.718 854 HG LEU 103 HG LEU 103 4.645 -5.741 -3.679 855 HD11 LEU 103 1HD1 LEU 103 4.523 -2.867 -2.769 856 HD12 LEU 103 2HD1 LEU 103 4.114 -3.473 -4.375 857 HD13 LEU 103 3HD1 LEU 103 5.773 -3.579 -3.790 858 HD21 LEU 103 3HD2 LEU 103 6.383 -5.172 -2.027 859 HD22 LEU 103 1HD2 LEU 103 5.195 -6.312 -1.394 860 HD23 LEU 103 2HD2 LEU 103 5.128 -4.615 -0.918 861 H GLU 104 H GLU 104 0.409 -7.522 -3.632 862 HA GLU 104 HA GLU 104 -1.853 -6.091 -2.436 863 HB2 GLU 104 2HB GLU 104 -3.177 -8.103 -3.039 864 HB3 GLU 104 1HB GLU 104 -2.417 -7.330 -4.418 865 HG2 GLU 104 2HG GLU 104 -0.599 -9.059 -4.263 866 HG3 GLU 104 1HG GLU 104 -1.591 -9.882 -3.059 867 H VAL 105 H VAL 105 -1.946 -6.080 -0.302 868 HA VAL 105 HA VAL 105 -1.087 -8.483 1.196 869 HB VAL 105 HB VAL 105 -0.478 -6.982 3.067 870 HG11 VAL 105 1HG1 VAL 105 0.922 -6.375 0.455 871 HG12 VAL 105 2HG1 VAL 105 1.262 -7.724 1.539 872 HG13 VAL 105 3HG1 VAL 105 1.583 -6.072 2.063 873 HG21 VAL 105 3HG2 VAL 105 -1.044 -4.762 1.090 874 HG22 VAL 105 1HG2 VAL 105 -0.275 -4.557 2.664 875 HG23 VAL 105 2HG2 VAL 105 -1.948 -5.105 2.565 876 H SER 106 H SER 106 -2.153 -8.890 3.228 877 HA SER 106 HA SER 106 -4.996 -8.113 3.160 878 HB2 SER 106 2HB SER 106 -4.568 -10.524 3.044 879 HB3 SER 106 1HB SER 106 -3.637 -10.452 4.538 880 HG SER 106 HG SER 106 -6.199 -10.888 4.312 881 H GLY 107 H GLY 107 -6.004 -8.332 5.495 882 HA2 GLY 107 2HA GLY 107 -5.493 -7.915 7.888 883 HA3 GLY 107 1HA GLY 107 -4.369 -6.683 7.345 884 H PHE 108 H PHE 108 -6.422 -5.910 5.224 885 HA PHE 108 HA PHE 108 -7.469 -3.710 6.658 886 HB2 PHE 108 2HB PHE 108 -8.276 -4.719 3.918 887 HB3 PHE 108 1HB PHE 108 -8.596 -3.112 4.561 888 HD1 PHE 108 HD2 PHE 108 -6.762 -1.494 4.827 889 HD2 PHE 108 HD1 PHE 108 -6.114 -5.324 3.079 890 HE1 PHE 108 HE2 PHE 108 -4.612 -0.716 3.924 891 HE2 PHE 108 HE1 PHE 108 -3.961 -4.549 2.175 892 HZ PHE 108 HZ PHE 108 -3.208 -2.243 2.598 893 H LYS 109 H LYS 109 -9.454 -6.033 4.802 894 HA LYS 109 HA LYS 109 -11.244 -6.571 6.977 895 HB2 LYS 109 2HB LYS 109 -11.851 -4.211 6.262 896 HB3 LYS 109 1HB LYS 109 -12.336 -4.880 4.712 897 HG2 LYS 109 2HG LYS 109 -14.280 -4.553 6.091 898 HG3 LYS 109 1HG LYS 109 -14.009 -6.284 5.874 899 HD2 LYS 109 2HD LYS 109 -13.029 -6.456 8.077 900 HD3 LYS 109 1HD LYS 109 -13.101 -4.706 8.288 901 HE2 LYS 109 2HE LYS 109 -15.562 -4.817 8.189 902 HE3 LYS 109 1HE LYS 109 -15.465 -6.571 8.023 903 HZ1 LYS 109 3HZ LYS 109 -14.514 -6.741 10.184 904 HZ2 LYS 109 1HZ LYS 109 -15.901 -5.786 10.314 905 HZ3 LYS 109 2HZ LYS 109 -14.374 -5.063 10.336 906 H SER 110 H SER 110 -11.529 -8.707 6.560 907 HA SER 110 HA SER 110 -12.062 -9.531 3.768 908 HB2 SER 110 2HB SER 110 -11.115 -11.763 4.426 909 HB3 SER 110 1HB SER 110 -9.950 -10.442 4.453 910 HG SER 110 HG SER 110 -11.288 -11.571 6.700 911 H ASN 111 H ASN 111 -14.131 -9.989 3.479 912 HA ASN 111 HA ASN 111 -15.499 -11.728 5.433 913 HB2 ASN 111 2HB ASN 111 -16.719 -9.341 4.013 914 HB3 ASN 111 1HB ASN 111 -17.604 -10.482 5.020 915 HD21 ASN 111 1HD2 ASN 111 -17.245 -10.467 7.255 916 HD22 ASN 111 2HD2 ASN 111 -16.532 -9.117 8.048 917 HA PRO 112 HA PRO 112 -15.331 -13.477 1.104 918 HB2 PRO 112 2HB PRO 112 -15.278 -16.045 2.585 919 HB3 PRO 112 1HB PRO 112 -14.200 -15.455 1.319 920 HG2 PRO 112 2HG PRO 112 -13.400 -15.586 3.870 921 HG3 PRO 112 1HG PRO 112 -12.885 -14.257 2.812 922 HD2 PRO 112 2HD PRO 112 -15.014 -14.284 4.927 923 HD3 PRO 112 1HD PRO 112 -13.806 -13.032 4.564 924 H TYR 113 H TYR 113 -16.898 -15.847 3.250 925 HA TYR 113 HA TYR 113 -19.082 -16.260 1.538 926 HB2 TYR 113 2HB TYR 113 -20.112 -17.462 3.468 927 HB3 TYR 113 1HB TYR 113 -18.461 -17.959 3.131 928 HD1 TYR 113 HD1 TYR 113 -16.596 -16.985 4.610 929 HD2 TYR 113 HD2 TYR 113 -20.723 -16.734 5.635 930 HE1 TYR 113 HE1 TYR 113 -15.987 -16.594 6.961 931 HE2 TYR 113 HE2 TYR 113 -20.120 -16.347 7.983 932 HH TYR 113 HH TYR 113 -18.150 -16.862 9.492 933 H LEU 114 H LEU 114 -18.573 -13.898 4.023 934 HA LEU 114 HA LEU 114 -21.303 -13.335 4.579 935 HB2 LEU 114 2HB LEU 114 -18.758 -11.841 5.161 936 HB3 LEU 114 1HB LEU 114 -20.334 -11.272 5.686 937 HG LEU 114 HG LEU 114 -19.124 -13.935 6.453 938 HD11 LEU 114 1HD1 LEU 114 -19.338 -11.371 8.021 939 HD12 LEU 114 2HD1 LEU 114 -17.858 -12.159 7.468 940 HD13 LEU 114 3HD1 LEU 114 -18.868 -12.936 8.685 941 HD21 LEU 114 3HD2 LEU 114 -21.624 -12.523 7.391 942 HD22 LEU 114 1HD2 LEU 114 -20.961 -14.003 8.088 943 HD23 LEU 114 2HD2 LEU 114 -21.546 -13.999 6.426 944 H GLU 115 H GLU 115 -19.273 -12.328 1.960 945 HA GLU 115 HA GLU 115 -20.262 -9.808 1.349 946 HB2 GLU 115 2HB GLU 115 -19.619 -10.183 -0.930 947 HB3 GLU 115 1HB GLU 115 -18.457 -11.020 0.087 948 HG2 GLU 115 2HG GLU 115 -19.511 -13.143 -0.380 949 HG3 GLU 115 1HG GLU 115 -20.785 -12.343 -1.297 950 H HIS 116 H HIS 116 -21.768 -12.938 0.844 951 HA HIS 116 HA HIS 116 -24.267 -11.573 0.057 952 HB2 HIS 116 2HB HIS 116 -24.907 -13.643 -1.131 953 HB3 HIS 116 1HB HIS 116 -23.420 -12.949 -1.769 954 HD1 HIS 116 HD1 HIS 116 -24.743 -15.927 0.057 955 HD2 HIS 116 HD2 HIS 116 -21.112 -14.511 -1.387 956 HE1 HIS 116 HE1 HIS 116 -23.153 -17.859 0.222 957 HE2 HIS 116 HE2 HIS 116 -20.927 -16.922 -0.475 958 H HIS 117 H HIS 117 -22.769 -13.654 2.366 959 HA HIS 117 HA HIS 117 -25.171 -14.904 3.317 960 HB2 HIS 117 2HB HIS 117 -22.824 -15.824 3.582 961 HB3 HIS 117 1HB HIS 117 -22.572 -14.619 4.839 962 HD1 HIS 117 HD1 HIS 117 -23.871 -14.972 7.095 963 HD2 HIS 117 HD2 HIS 117 -24.382 -18.010 4.300 964 HE1 HIS 117 HE1 HIS 117 -24.896 -16.885 8.353 965 HE2 HIS 117 HE2 HIS 117 -25.040 -18.758 6.681 966 H HIS 118 H HIS 118 -23.568 -11.886 3.966 967 HA HIS 118 HA HIS 118 -25.795 -10.840 5.366 968 HB2 HIS 118 2HB HIS 118 -24.798 -12.282 7.173 969 HB3 HIS 118 1HB HIS 118 -23.354 -11.282 7.109 970 HD1 HIS 118 HD1 HIS 118 -26.752 -11.429 8.517 971 HD2 HIS 118 HD2 HIS 118 -23.749 -8.597 8.076 972 HE1 HIS 118 HE1 HIS 118 -27.356 -9.562 10.077 973 HE2 HIS 118 HE2 HIS 118 -25.636 -7.783 9.637 974 H HIS 119 H HIS 119 -25.348 -9.343 3.604 975 HA HIS 119 HA HIS 119 -22.961 -7.693 3.805 976 HB2 HIS 119 2HB HIS 119 -23.769 -8.233 1.575 977 HB3 HIS 119 1HB HIS 119 -25.339 -7.525 1.936 978 HD1 HIS 119 HD1 HIS 119 -21.832 -6.612 1.010 979 HD2 HIS 119 HD2 HIS 119 -25.430 -4.709 1.859 980 HE1 HIS 119 HE1 HIS 119 -21.506 -4.219 0.327 981 HE2 HIS 119 HE2 HIS 119 -23.715 -3.106 0.776 982 H HIS 120 H HIS 120 -23.017 -6.455 5.619 983 HA HIS 120 HA HIS 120 -25.388 -4.914 6.304 984 HB2 HIS 120 2HB HIS 120 -24.071 -5.873 8.125 985 HB3 HIS 120 1HB HIS 120 -22.638 -5.009 7.580 986 HD1 HIS 120 HD1 HIS 120 -22.811 -2.305 7.768 987 HD2 HIS 120 HD2 HIS 120 -25.641 -4.491 9.892 988 HE1 HIS 120 HE1 HIS 120 -23.764 -0.715 9.455 989 HE2 HIS 120 HE2 HIS 120 -25.594 -2.005 10.594 990 H HIS 121 H HIS 121 -25.792 -3.000 5.332 991 HA HIS 121 HA HIS 121 -23.713 -1.393 4.150 992 HB2 HIS 121 2HB HIS 121 -25.925 -1.351 3.162 993 HB3 HIS 121 1HB HIS 121 -26.643 -0.825 4.680 994 HD1 HIS 121 HD1 HIS 121 -24.064 0.495 2.190 995 HD2 HIS 121 HD2 HIS 121 -27.007 1.855 4.791 996 HE1 HIS 121 HE1 HIS 121 -24.160 2.979 1.859 997 HE2 HIS 121 HE2 HIS 121 -25.989 3.774 3.392 Start of MODEL 16 1 H1 MET 1 1H MET 1 22.665 -5.455 5.944 2 H2 MET 1 2H MET 1 22.389 -6.900 6.780 3 H3 MET 1 3H MET 1 21.153 -6.209 5.858 4 HA MET 1 HA MET 1 22.160 -8.120 4.761 5 HB2 MET 1 2HB MET 1 22.506 -7.055 2.578 6 HB3 MET 1 1HB MET 1 21.121 -6.368 3.412 7 HG2 MET 1 2HG MET 1 22.462 -4.430 4.059 8 HG3 MET 1 1HG MET 1 23.862 -5.121 3.241 9 HE1 MET 1 3HE MET 1 22.598 -2.143 2.710 10 HE2 MET 1 1HE MET 1 22.818 -2.077 0.961 11 HE3 MET 1 2HE MET 1 24.081 -2.763 1.984 12 H LEU 2 H LEU 2 23.939 -9.345 4.583 13 HA LEU 2 HA LEU 2 26.593 -8.068 4.666 14 HB2 LEU 2 2HB LEU 2 25.771 -10.970 4.939 15 HB3 LEU 2 1HB LEU 2 27.436 -10.427 4.893 16 HG LEU 2 HG LEU 2 26.897 -10.816 7.172 17 HD11 LEU 2 1HD1 LEU 2 28.220 -8.798 6.740 18 HD12 LEU 2 2HD1 LEU 2 27.238 -8.645 8.195 19 HD13 LEU 2 3HD1 LEU 2 26.741 -7.837 6.708 20 HD21 LEU 2 3HD2 LEU 2 24.459 -10.799 6.988 21 HD22 LEU 2 1HD2 LEU 2 24.479 -9.043 6.823 22 HD23 LEU 2 2HD2 LEU 2 25.012 -9.793 8.327 23 H SER 3 H SER 3 24.606 -10.247 2.719 24 HA SER 3 HA SER 3 26.456 -10.133 0.463 25 HB2 SER 3 2HB SER 3 25.360 -12.267 0.886 26 HB3 SER 3 1HB SER 3 23.772 -11.507 0.816 27 HG SER 3 HG SER 3 23.826 -11.566 -1.289 28 H GLN 4 H GLN 4 25.933 -9.185 -1.562 29 HA GLN 4 HA GLN 4 23.639 -7.321 -1.559 30 HB2 GLN 4 2HB GLN 4 25.038 -5.585 -2.574 31 HB3 GLN 4 1HB GLN 4 25.669 -6.062 -1.003 32 HG2 GLN 4 2HG GLN 4 27.356 -7.466 -2.126 33 HG3 GLN 4 1HG GLN 4 26.742 -6.925 -3.687 34 HE21 GLN 4 1HE2 GLN 4 29.401 -6.610 -2.581 35 HE22 GLN 4 2HE2 GLN 4 29.709 -4.910 -2.538 36 H ALA 5 H ALA 5 23.689 -9.860 -2.787 37 HA ALA 5 HA ALA 5 24.270 -9.510 -5.612 38 HB1 ALA 5 3HB ALA 5 23.591 -11.823 -5.844 39 HB2 ALA 5 1HB ALA 5 22.952 -11.835 -4.200 40 HB3 ALA 5 2HB ALA 5 24.686 -11.660 -4.473 41 H ASN 6 H ASN 6 22.549 -10.135 -7.243 42 HA ASN 6 HA ASN 6 20.449 -8.316 -7.211 43 HB2 ASN 6 2HB ASN 6 20.817 -10.847 -8.813 44 HB3 ASN 6 1HB ASN 6 19.468 -9.746 -9.081 45 HD21 ASN 6 1HD2 ASN 6 22.925 -10.129 -9.276 46 HD22 ASN 6 2HD2 ASN 6 23.201 -8.797 -10.339 47 H GLU 7 H GLU 7 20.477 -11.666 -6.113 48 HA GLU 7 HA GLU 7 17.671 -11.922 -5.811 49 HB2 GLU 7 2HB GLU 7 18.148 -13.926 -4.510 50 HB3 GLU 7 1HB GLU 7 19.113 -13.876 -5.977 51 HG2 GLU 7 2HG GLU 7 21.072 -13.246 -4.740 52 HG3 GLU 7 1HG GLU 7 20.131 -13.082 -3.257 53 H ASP 8 H ASP 8 20.179 -10.692 -3.646 54 HA ASP 8 HA ASP 8 18.589 -10.553 -1.309 55 HB2 ASP 8 2HB ASP 8 20.894 -8.780 -2.167 56 HB3 ASP 8 1HB ASP 8 20.221 -8.857 -0.540 57 H PHE 9 H PHE 9 19.241 -8.158 -3.858 58 HA PHE 9 HA PHE 9 17.640 -6.090 -2.830 59 HB2 PHE 9 2HB PHE 9 18.589 -6.713 -5.626 60 HB3 PHE 9 1HB PHE 9 17.618 -5.288 -5.269 61 HD1 PHE 9 HD2 PHE 9 20.815 -6.985 -4.455 62 HD2 PHE 9 HD1 PHE 9 18.602 -3.347 -4.378 63 HE1 PHE 9 HE2 PHE 9 22.850 -5.762 -3.805 64 HE2 PHE 9 HE1 PHE 9 20.632 -2.121 -3.727 65 HZ PHE 9 HZ PHE 9 22.759 -3.327 -3.442 66 H LYS 10 H LYS 10 16.802 -8.543 -5.335 67 HA LYS 10 HA LYS 10 14.162 -7.701 -5.753 68 HB2 LYS 10 2HB LYS 10 13.707 -9.855 -6.708 69 HB3 LYS 10 1HB LYS 10 15.360 -9.430 -7.130 70 HG2 LYS 10 2HG LYS 10 16.225 -10.924 -5.445 71 HG3 LYS 10 1HG LYS 10 14.600 -11.263 -4.857 72 HD2 LYS 10 2HD LYS 10 15.329 -13.107 -6.217 73 HD3 LYS 10 1HD LYS 10 14.053 -12.243 -7.076 74 HE2 LYS 10 2HE LYS 10 15.720 -11.120 -8.457 75 HE3 LYS 10 1HE LYS 10 17.018 -11.918 -7.567 76 HZ1 LYS 10 3HZ LYS 10 16.558 -13.035 -9.654 77 HZ2 LYS 10 1HZ LYS 10 14.949 -13.283 -9.200 78 HZ3 LYS 10 2HZ LYS 10 16.197 -14.049 -8.351 79 H LYS 11 H LYS 11 15.490 -9.907 -3.324 80 HA LYS 11 HA LYS 11 13.103 -10.758 -2.144 81 HB2 LYS 11 2HB LYS 11 15.213 -11.837 -1.644 82 HB3 LYS 11 1HB LYS 11 15.858 -10.361 -0.947 83 HG2 LYS 11 2HG LYS 11 13.401 -11.504 0.292 84 HG3 LYS 11 1HG LYS 11 14.922 -12.364 0.540 85 HD2 LYS 11 2HD LYS 11 15.938 -10.334 1.453 86 HD3 LYS 11 1HD LYS 11 14.443 -9.440 1.170 87 HE2 LYS 11 2HE LYS 11 14.677 -10.130 3.518 88 HE3 LYS 11 1HE LYS 11 13.265 -10.862 2.756 89 HZ1 LYS 11 3HZ LYS 11 15.881 -12.226 3.091 90 HZ2 LYS 11 1HZ LYS 11 14.443 -12.915 2.522 91 HZ3 LYS 11 2HZ LYS 11 14.563 -12.416 4.133 92 H ILE 12 H ILE 12 15.166 -7.964 -1.306 93 HA ILE 12 HA ILE 12 13.647 -6.975 0.823 94 HB ILE 12 HB ILE 12 15.289 -5.412 -1.189 95 HG12 ILE 12 2HG1 ILE 12 16.021 -6.493 1.553 96 HG13 ILE 12 1HG1 ILE 12 16.556 -7.160 0.015 97 HG21 ILE 12 1HG2 ILE 12 14.343 -4.566 1.556 98 HG22 ILE 12 2HG2 ILE 12 13.729 -3.953 0.020 99 HG23 ILE 12 3HG2 ILE 12 15.400 -3.639 0.489 100 HD11 ILE 12 3HD1 ILE 12 17.223 -4.418 1.071 101 HD12 ILE 12 1HD1 ILE 12 17.768 -5.099 -0.464 102 HD13 ILE 12 2HD1 ILE 12 18.292 -5.821 1.057 103 H VAL 13 H VAL 13 13.321 -6.328 -2.667 104 HA VAL 13 HA VAL 13 11.310 -4.318 -2.317 105 HB VAL 13 HB VAL 13 11.978 -5.807 -4.865 106 HG11 VAL 13 1HG1 VAL 13 10.710 -3.098 -4.413 107 HG12 VAL 13 2HG1 VAL 13 9.881 -4.552 -4.970 108 HG13 VAL 13 3HG1 VAL 13 11.113 -3.800 -5.983 109 HG21 VAL 13 3HG2 VAL 13 13.202 -3.274 -3.752 110 HG22 VAL 13 1HG2 VAL 13 13.514 -3.948 -5.353 111 HG23 VAL 13 2HG2 VAL 13 14.004 -4.837 -3.913 112 H ASN 14 H ASN 14 11.185 -7.803 -2.972 113 HA ASN 14 HA ASN 14 8.323 -7.763 -3.422 114 HB2 ASN 14 2HB ASN 14 10.336 -9.993 -3.200 115 HB3 ASN 14 1HB ASN 14 8.607 -10.320 -3.268 116 HD21 ASN 14 1HD2 ASN 14 11.379 -9.265 -5.039 117 HD22 ASN 14 2HD2 ASN 14 10.632 -9.252 -6.594 118 H ASN 15 H ASN 15 10.385 -8.098 -0.650 119 HA ASN 15 HA ASN 15 8.233 -9.213 0.992 120 HB2 ASN 15 2HB ASN 15 11.159 -8.713 1.456 121 HB3 ASN 15 1HB ASN 15 10.080 -8.972 2.823 122 HD21 ASN 15 1HD2 ASN 15 11.360 -10.410 -0.102 123 HD22 ASN 15 2HD2 ASN 15 11.031 -12.043 0.341 124 H ILE 16 H ILE 16 8.653 -6.244 -0.106 125 HA ILE 16 HA ILE 16 8.641 -4.566 2.150 126 HB ILE 16 HB ILE 16 7.318 -4.125 -0.538 127 HG12 ILE 16 2HG1 ILE 16 10.009 -3.220 0.538 128 HG13 ILE 16 1HG1 ILE 16 9.754 -4.469 -0.675 129 HG21 ILE 16 1HG2 ILE 16 7.358 -1.738 0.033 130 HG22 ILE 16 2HG2 ILE 16 7.957 -2.137 1.642 131 HG23 ILE 16 3HG2 ILE 16 6.348 -2.659 1.146 132 HD11 ILE 16 3HD1 ILE 16 8.824 -2.799 -2.197 133 HD12 ILE 16 1HD1 ILE 16 10.462 -2.387 -1.693 134 HD13 ILE 16 2HD1 ILE 16 9.084 -1.550 -0.980 135 H ARG 17 H ARG 17 7.244 -4.574 3.790 136 HA ARG 17 HA ARG 17 4.400 -5.161 3.250 137 HB2 ARG 17 2HB ARG 17 6.155 -6.615 4.876 138 HB3 ARG 17 1HB ARG 17 5.193 -5.675 6.008 139 HG2 ARG 17 2HG ARG 17 4.194 -7.859 5.610 140 HG3 ARG 17 1HG ARG 17 3.141 -6.568 5.021 141 HD2 ARG 17 2HD ARG 17 4.069 -6.933 2.741 142 HD3 ARG 17 1HD ARG 17 4.966 -8.317 3.365 143 HE ARG 17 HE ARG 17 2.433 -8.907 4.059 144 HH11 ARG 17 1HH1 ARG 17 3.852 -7.938 1.075 145 HH12 ARG 17 2HH1 ARG 17 2.676 -8.772 0.125 146 HH21 ARG 17 1HH2 ARG 17 0.931 -9.958 2.824 147 HH22 ARG 17 2HH2 ARG 17 1.036 -9.900 1.101 148 H LEU 18 H LEU 18 2.826 -4.069 4.529 149 HA LEU 18 HA LEU 18 3.483 -1.312 4.883 150 HB2 LEU 18 2HB LEU 18 1.024 -1.149 5.564 151 HB3 LEU 18 1HB LEU 18 1.401 -1.642 3.928 152 HG LEU 18 HG LEU 18 0.921 -3.992 4.522 153 HD11 LEU 18 1HD1 LEU 18 0.146 -2.882 7.220 154 HD12 LEU 18 2HD1 LEU 18 1.488 -3.977 6.880 155 HD13 LEU 18 3HD1 LEU 18 -0.173 -4.523 6.655 156 HD21 LEU 18 3HD2 LEU 18 -1.291 -2.054 5.218 157 HD22 LEU 18 1HD2 LEU 18 -1.507 -3.745 4.753 158 HD23 LEU 18 2HD2 LEU 18 -0.843 -2.590 3.598 159 H LYS 19 H LYS 19 4.342 -3.529 6.965 160 HA LYS 19 HA LYS 19 4.175 -1.628 9.175 161 HB2 LYS 19 2HB LYS 19 2.276 -3.086 9.603 162 HB3 LYS 19 1HB LYS 19 3.293 -4.513 9.455 163 HG2 LYS 19 2HG LYS 19 4.350 -4.127 11.498 164 HG3 LYS 19 1HG LYS 19 3.875 -2.428 11.528 165 HD2 LYS 19 2HD LYS 19 2.621 -3.829 13.147 166 HD3 LYS 19 1HD LYS 19 1.587 -3.012 11.977 167 HE2 LYS 19 2HE LYS 19 1.476 -5.110 10.664 168 HE3 LYS 19 1HE LYS 19 2.434 -5.912 11.911 169 HZ1 LYS 19 3HZ LYS 19 0.691 -5.471 13.504 170 HZ2 LYS 19 1HZ LYS 19 0.046 -6.299 12.179 171 HZ3 LYS 19 2HZ LYS 19 -0.218 -4.638 12.349 172 H ASP 20 H ASP 20 5.536 -4.663 7.947 173 HA ASP 20 HA ASP 20 7.876 -4.637 9.543 174 HB2 ASP 20 2HB ASP 20 7.313 -6.678 8.452 175 HB3 ASP 20 1HB ASP 20 7.219 -5.899 6.876 176 H THR 21 H THR 21 7.179 -3.325 6.314 177 HA THR 21 HA THR 21 9.926 -2.328 6.095 178 HB THR 21 HB THR 21 7.759 -2.375 3.990 179 HG1 THR 21 HG1 THR 21 9.269 -4.365 5.001 180 HG21 THR 21 3HG2 THR 21 9.493 -0.700 3.539 181 HG22 THR 21 1HG2 THR 21 9.617 -2.049 2.409 182 HG23 THR 21 2HG2 THR 21 10.742 -1.924 3.761 183 H PHE 22 H PHE 22 6.585 -1.125 5.921 184 HA PHE 22 HA PHE 22 7.444 1.431 6.944 185 HB2 PHE 22 2HB PHE 22 6.681 2.809 5.109 186 HB3 PHE 22 1HB PHE 22 7.874 1.672 4.499 187 HD1 PHE 22 HD1 PHE 22 6.943 -0.484 3.374 188 HD2 PHE 22 HD2 PHE 22 4.639 3.034 4.048 189 HE1 PHE 22 HE1 PHE 22 5.347 -1.196 1.642 190 HE2 PHE 22 HE2 PHE 22 3.046 2.323 2.320 191 HZ PHE 22 HZ PHE 22 3.396 0.207 1.112 192 H ASP 23 H ASP 23 5.997 1.707 8.532 193 HA ASP 23 HA ASP 23 3.243 0.837 8.184 194 HB2 ASP 23 2HB ASP 23 3.023 1.729 10.588 195 HB3 ASP 23 1HB ASP 23 4.019 0.307 10.323 196 H PHE 24 H PHE 24 2.062 2.111 6.926 197 HA PHE 24 HA PHE 24 2.617 4.967 6.813 198 HB2 PHE 24 2HB PHE 24 1.381 4.999 4.764 199 HB3 PHE 24 1HB PHE 24 2.414 3.577 4.737 200 HD1 PHE 24 HD1 PHE 24 1.404 1.313 5.135 201 HD2 PHE 24 HD2 PHE 24 -0.969 4.817 4.603 202 HE1 PHE 24 HE1 PHE 24 -0.555 -0.086 4.617 203 HE2 PHE 24 HE2 PHE 24 -2.925 3.420 4.088 204 HZ PHE 24 HZ PHE 24 -2.719 0.965 4.095 205 H LYS 25 H LYS 25 0.912 6.551 6.745 206 HA LYS 25 HA LYS 25 -1.500 5.869 8.311 207 HB2 LYS 25 2HB LYS 25 0.106 7.077 9.733 208 HB3 LYS 25 1HB LYS 25 0.193 8.373 8.549 209 HG2 LYS 25 2HG LYS 25 -2.263 8.758 8.918 210 HG3 LYS 25 1HG LYS 25 -2.177 7.604 10.248 211 HD2 LYS 25 2HD LYS 25 -2.018 9.900 11.066 212 HD3 LYS 25 1HD LYS 25 -0.519 9.023 11.372 213 HE2 LYS 25 2HE LYS 25 0.559 10.100 9.509 214 HE3 LYS 25 1HE LYS 25 -0.957 10.844 9.003 215 HZ1 LYS 25 3HZ LYS 25 0.544 12.362 10.213 216 HZ2 LYS 25 1HZ LYS 25 0.382 11.397 11.591 217 HZ3 LYS 25 2HZ LYS 25 -0.965 12.192 10.950 218 H LEU 26 H LEU 26 -3.392 7.071 7.805 219 HA LEU 26 HA LEU 26 -3.438 8.146 5.089 220 HB2 LEU 26 2HB LEU 26 -5.691 7.568 7.030 221 HB3 LEU 26 1HB LEU 26 -5.909 8.128 5.386 222 HG LEU 26 HG LEU 26 -6.353 5.805 5.358 223 HD11 LEU 26 1HD1 LEU 26 -5.021 6.565 3.473 224 HD12 LEU 26 2HD1 LEU 26 -4.638 4.895 3.884 225 HD13 LEU 26 3HD1 LEU 26 -3.536 6.190 4.349 226 HD21 LEU 26 3HD2 LEU 26 -3.751 5.377 6.831 227 HD22 LEU 26 1HD2 LEU 26 -4.802 4.102 6.212 228 HD23 LEU 26 2HD2 LEU 26 -5.376 5.176 7.486 229 H ALA 27 H ALA 27 -3.404 10.299 4.674 230 HA ALA 27 HA ALA 27 -3.041 12.223 6.678 231 HB1 ALA 27 3HB ALA 27 -3.247 13.894 4.918 232 HB2 ALA 27 1HB ALA 27 -3.955 12.691 3.841 233 HB3 ALA 27 2HB ALA 27 -2.282 12.523 4.372 234 H ALA 28 H ALA 28 -6.003 11.178 5.076 235 HA ALA 28 HA ALA 28 -7.617 13.285 6.224 236 HB1 ALA 28 3HB ALA 28 -8.164 12.317 4.045 237 HB2 ALA 28 1HB ALA 28 -9.496 12.135 5.185 238 HB3 ALA 28 2HB ALA 28 -8.461 10.757 4.807 239 H PHE 29 H PHE 29 -6.448 10.283 7.328 240 HA PHE 29 HA PHE 29 -8.345 10.309 9.591 241 HB2 PHE 29 2HB PHE 29 -7.274 7.794 8.272 242 HB3 PHE 29 1HB PHE 29 -8.406 7.879 9.616 243 HD1 PHE 29 HD1 PHE 29 -10.711 8.784 9.229 244 HD2 PHE 29 HD2 PHE 29 -8.026 7.931 6.024 245 HE1 PHE 29 HE1 PHE 29 -12.600 8.762 7.653 246 HE2 PHE 29 HE2 PHE 29 -9.915 7.911 4.448 247 HZ PHE 29 HZ PHE 29 -12.203 8.328 5.263 248 HA PRO 30 HA PRO 30 -3.927 10.743 10.864 249 HB2 PRO 30 2HB PRO 30 -4.354 12.387 12.984 250 HB3 PRO 30 1HB PRO 30 -4.321 12.961 11.314 251 HG2 PRO 30 2HG PRO 30 -6.689 12.302 13.039 252 HG3 PRO 30 1HG PRO 30 -6.428 13.709 11.988 253 HD2 PRO 30 2HD PRO 30 -7.928 11.594 11.215 254 HD3 PRO 30 1HD PRO 30 -6.952 12.531 10.065 255 H ASN 31 H ASN 31 -6.603 9.434 12.642 256 HA ASN 31 HA ASN 31 -4.703 8.243 14.582 257 HB2 ASN 31 2HB ASN 31 -7.619 8.919 15.044 258 HB3 ASN 31 1HB ASN 31 -6.548 8.148 16.209 259 HD21 ASN 31 1HD2 ASN 31 -4.259 9.830 15.413 260 HD22 ASN 31 2HD2 ASN 31 -4.573 11.381 16.104 261 H GLN 32 H GLN 32 -6.077 7.391 11.886 262 HA GLN 32 HA GLN 32 -7.240 4.864 12.841 263 HB2 GLN 32 2HB GLN 32 -7.604 6.483 10.365 264 HB3 GLN 32 1HB GLN 32 -7.812 4.743 10.243 265 HG2 GLN 32 2HG GLN 32 -9.262 6.429 12.276 266 HG3 GLN 32 1HG GLN 32 -9.905 6.074 10.671 267 HE21 GLN 32 1HE2 GLN 32 -11.658 4.958 11.574 268 HE22 GLN 32 2HE2 GLN 32 -11.483 3.384 12.258 269 H ASN 33 H ASN 33 -6.792 2.906 11.625 270 HA ASN 33 HA ASN 33 -3.990 2.791 10.688 271 HB2 ASN 33 2HB ASN 33 -5.457 0.825 12.469 272 HB3 ASN 33 1HB ASN 33 -3.858 0.551 11.786 273 HD21 ASN 33 1HD2 ASN 33 -5.705 2.457 14.062 274 HD22 ASN 33 2HD2 ASN 33 -4.348 3.021 14.970 275 H TYR 34 H TYR 34 -3.512 1.301 9.053 276 HA TYR 34 HA TYR 34 -5.395 0.548 7.148 277 HB2 TYR 34 2HB TYR 34 -3.586 -1.205 6.506 278 HB3 TYR 34 1HB TYR 34 -3.161 0.500 6.432 279 HD1 TYR 34 HD1 TYR 34 -2.798 -2.577 8.494 280 HD2 TYR 34 HD2 TYR 34 -1.400 1.382 7.758 281 HE1 TYR 34 HE1 TYR 34 -0.879 -2.971 9.995 282 HE2 TYR 34 HE2 TYR 34 0.509 0.992 9.256 283 HH TYR 34 HH TYR 34 1.251 -0.403 10.974 284 H ASP 35 H ASP 35 -4.716 -0.877 10.181 285 HA ASP 35 HA ASP 35 -5.755 -3.502 9.661 286 HB2 ASP 35 2HB ASP 35 -4.032 -3.137 11.339 287 HB3 ASP 35 1HB ASP 35 -5.074 -2.026 12.218 288 H GLN 36 H GLN 36 -7.262 -0.514 10.123 289 HA GLN 36 HA GLN 36 -9.728 -1.759 11.198 290 HB2 GLN 36 2HB GLN 36 -8.790 1.069 11.740 291 HB3 GLN 36 1HB GLN 36 -10.211 0.287 12.416 292 HG2 GLN 36 2HG GLN 36 -8.794 -1.259 13.650 293 HG3 GLN 36 1HG GLN 36 -7.356 -0.527 12.936 294 HE21 GLN 36 1HE2 GLN 36 -6.510 0.118 14.909 295 HE22 GLN 36 2HE2 GLN 36 -7.207 1.380 15.858 296 H LEU 37 H LEU 37 -8.412 0.870 9.225 297 HA LEU 37 HA LEU 37 -10.919 2.025 8.572 298 HB2 LEU 37 2HB LEU 37 -8.458 2.975 8.608 299 HB3 LEU 37 1HB LEU 37 -8.450 2.470 6.932 300 HG LEU 37 HG LEU 37 -8.997 4.893 7.326 301 HD11 LEU 37 1HD1 LEU 37 -9.594 3.807 5.236 302 HD12 LEU 37 2HD1 LEU 37 -10.816 4.985 5.706 303 HD13 LEU 37 3HD1 LEU 37 -11.118 3.262 5.937 304 HD21 LEU 37 3HD2 LEU 37 -11.220 5.492 8.097 305 HD22 LEU 37 1HD2 LEU 37 -10.361 4.598 9.350 306 HD23 LEU 37 2HD2 LEU 37 -11.604 3.796 8.390 307 H LEU 38 H LEU 38 -12.208 1.840 6.785 308 HA LEU 38 HA LEU 38 -12.252 -0.584 5.354 309 HB2 LEU 38 2HB LEU 38 -13.684 2.015 4.774 310 HB3 LEU 38 1HB LEU 38 -14.061 0.475 4.022 311 HG LEU 38 HG LEU 38 -14.321 1.090 6.975 312 HD11 LEU 38 1HD1 LEU 38 -15.998 2.263 5.651 313 HD12 LEU 38 2HD1 LEU 38 -16.733 0.952 6.573 314 HD13 LEU 38 3HD1 LEU 38 -16.437 0.755 4.845 315 HD21 LEU 38 3HD2 LEU 38 -13.766 -1.259 6.543 316 HD22 LEU 38 1HD2 LEU 38 -15.121 -1.374 5.418 317 HD23 LEU 38 2HD2 LEU 38 -15.418 -1.081 7.133 318 HA PRO 39 HA PRO 39 -9.268 -0.102 2.126 319 HB2 PRO 39 2HB PRO 39 -10.714 -1.451 0.127 320 HB3 PRO 39 1HB PRO 39 -9.602 -2.181 1.286 321 HG2 PRO 39 2HG PRO 39 -12.581 -1.988 1.385 322 HG3 PRO 39 1HG PRO 39 -11.522 -3.315 1.900 323 HD2 PRO 39 2HD PRO 39 -12.646 -1.688 3.694 324 HD3 PRO 39 1HD PRO 39 -10.975 -2.256 3.910 325 H SER 40 H SER 40 -12.662 0.538 1.204 326 HA SER 40 HA SER 40 -12.115 2.065 -1.100 327 HB2 SER 40 2HB SER 40 -14.365 1.239 -0.669 328 HB3 SER 40 1HB SER 40 -14.480 2.222 0.790 329 HG SER 40 HG SER 40 -14.500 3.038 -1.915 330 H GLN 41 H GLN 41 -12.691 3.135 2.260 331 HA GLN 41 HA GLN 41 -12.360 5.904 1.699 332 HB2 GLN 41 2HB GLN 41 -12.180 4.392 4.311 333 HB3 GLN 41 1HB GLN 41 -12.226 6.145 4.176 334 HG2 GLN 41 2HG GLN 41 -14.401 4.280 3.232 335 HG3 GLN 41 1HG GLN 41 -14.405 5.152 4.764 336 HE21 GLN 41 1HE2 GLN 41 -16.241 5.280 2.476 337 HE22 GLN 41 2HE2 GLN 41 -16.275 6.937 1.995 338 H ILE 42 H ILE 42 -10.119 3.360 2.703 339 HA ILE 42 HA ILE 42 -7.849 4.921 3.213 340 HB ILE 42 HB ILE 42 -8.019 2.171 1.941 341 HG12 ILE 42 2HG1 ILE 42 -7.472 3.034 4.797 342 HG13 ILE 42 1HG1 ILE 42 -8.958 2.295 4.211 343 HG21 ILE 42 1HG2 ILE 42 -5.876 3.182 1.395 344 HG22 ILE 42 2HG2 ILE 42 -5.657 1.897 2.583 345 HG23 ILE 42 3HG2 ILE 42 -5.607 3.584 3.092 346 HD11 ILE 42 3HD1 ILE 42 -7.606 0.674 5.376 347 HD12 ILE 42 1HD1 ILE 42 -6.240 1.001 4.309 348 HD13 ILE 42 2HD1 ILE 42 -7.704 0.257 3.664 349 H TYR 43 H TYR 43 -9.004 3.530 0.142 350 HA TYR 43 HA TYR 43 -6.975 4.524 -1.512 351 HB2 TYR 43 2HB TYR 43 -8.395 2.800 -2.348 352 HB3 TYR 43 1HB TYR 43 -9.842 3.771 -2.092 353 HD1 TYR 43 HD1 TYR 43 -6.644 3.805 -4.038 354 HD2 TYR 43 HD2 TYR 43 -10.749 4.930 -3.895 355 HE1 TYR 43 HE1 TYR 43 -6.491 4.638 -6.348 356 HE2 TYR 43 HE2 TYR 43 -10.606 5.761 -6.200 357 HH TYR 43 HH TYR 43 -8.005 5.076 -8.255 358 H LYS 44 H LYS 44 -9.882 6.101 -0.295 359 HA LYS 44 HA LYS 44 -10.042 8.184 -2.186 360 HB2 LYS 44 2HB LYS 44 -10.924 8.226 0.707 361 HB3 LYS 44 1HB LYS 44 -11.438 9.355 -0.538 362 HG2 LYS 44 2HG LYS 44 -12.023 6.400 -0.432 363 HG3 LYS 44 1HG LYS 44 -13.162 7.716 -0.150 364 HD2 LYS 44 2HD LYS 44 -12.895 8.452 -2.476 365 HD3 LYS 44 1HD LYS 44 -11.741 7.145 -2.761 366 HE2 LYS 44 2HE LYS 44 -13.507 5.503 -2.230 367 HE3 LYS 44 1HE LYS 44 -14.652 6.828 -2.011 368 HZ1 LYS 44 3HZ LYS 44 -14.259 7.455 -4.334 369 HZ2 LYS 44 1HZ LYS 44 -14.882 5.888 -4.197 370 HZ3 LYS 44 2HZ LYS 44 -13.241 6.121 -4.527 371 H ASN 45 H ASN 45 -7.761 7.659 0.294 372 HA ASN 45 HA ASN 45 -7.030 10.377 0.784 373 HB2 ASN 45 2HB ASN 45 -5.603 7.763 1.276 374 HB3 ASN 45 1HB ASN 45 -4.895 9.322 1.693 375 HD21 ASN 45 1HD2 ASN 45 -7.440 7.059 2.403 376 HD22 ASN 45 2HD2 ASN 45 -7.887 7.746 3.919 377 H TYR 46 H TYR 46 -6.718 8.597 -2.023 378 HA TYR 46 HA TYR 46 -4.184 9.200 -3.012 379 HB2 TYR 46 2HB TYR 46 -5.088 8.921 -5.218 380 HB3 TYR 46 1HB TYR 46 -5.954 7.808 -4.166 381 HD1 TYR 46 HD2 TYR 46 -8.298 8.390 -3.441 382 HD2 TYR 46 HD1 TYR 46 -6.249 10.628 -6.424 383 HE1 TYR 46 HE2 TYR 46 -10.435 9.337 -4.188 384 HE2 TYR 46 HE1 TYR 46 -8.385 11.586 -7.175 385 HH TYR 46 HH TYR 46 -11.211 11.404 -5.364 386 H TYR 47 H TYR 47 -7.008 11.240 -2.674 387 HA TYR 47 HA TYR 47 -5.763 13.531 -3.968 388 HB2 TYR 47 2HB TYR 47 -8.141 13.196 -4.304 389 HB3 TYR 47 1HB TYR 47 -8.425 13.155 -2.569 390 HD1 TYR 47 HD1 TYR 47 -7.558 15.354 -5.419 391 HD2 TYR 47 HD2 TYR 47 -8.678 15.180 -1.312 392 HE1 TYR 47 HE1 TYR 47 -7.999 17.772 -5.439 393 HE2 TYR 47 HE2 TYR 47 -9.117 17.597 -1.324 394 HH TYR 47 HH TYR 47 -8.387 19.597 -2.638 395 H GLN 48 H GLN 48 -6.483 12.389 -0.724 396 HA GLN 48 HA GLN 48 -5.933 14.896 0.562 397 HB2 GLN 48 2HB GLN 48 -6.280 12.125 1.728 398 HB3 GLN 48 1HB GLN 48 -6.208 13.615 2.665 399 HG2 GLN 48 2HG GLN 48 -8.300 12.953 0.590 400 HG3 GLN 48 1HG GLN 48 -8.511 12.821 2.334 401 HE21 GLN 48 1HE2 GLN 48 -9.953 14.445 0.379 402 HE22 GLN 48 2HE2 GLN 48 -9.796 16.081 0.911 403 H GLY 49 H GLY 49 -4.254 11.723 0.797 404 HA2 GLY 49 2HA GLY 49 -1.723 12.271 0.212 405 HA3 GLY 49 1HA GLY 49 -1.849 13.091 1.758 406 H ILE 50 H ILE 50 -0.101 10.913 1.068 407 HA ILE 50 HA ILE 50 -1.026 8.890 3.016 408 HB ILE 50 HB ILE 50 0.732 8.362 0.604 409 HG12 ILE 50 2HG1 ILE 50 -2.144 7.532 1.099 410 HG13 ILE 50 1HG1 ILE 50 -1.646 8.815 0.003 411 HG21 ILE 50 1HG2 ILE 50 1.247 6.920 2.510 412 HG22 ILE 50 2HG2 ILE 50 0.487 5.998 1.214 413 HG23 ILE 50 3HG2 ILE 50 -0.452 6.460 2.634 414 HD11 ILE 50 3HD1 ILE 50 -0.949 5.898 -0.266 415 HD12 ILE 50 1HD1 ILE 50 -0.456 7.185 -1.368 416 HD13 ILE 50 2HD1 ILE 50 -2.162 6.773 -1.199 417 H GLU 51 H GLU 51 0.248 8.760 4.766 418 HA GLU 51 HA GLU 51 2.863 10.092 4.737 419 HB2 GLU 51 2HB GLU 51 1.233 9.071 7.078 420 HB3 GLU 51 1HB GLU 51 2.684 10.060 7.180 421 HG2 GLU 51 2HG GLU 51 0.132 10.952 5.846 422 HG3 GLU 51 1HG GLU 51 0.538 11.291 7.526 423 H ILE 52 H ILE 52 4.639 8.865 4.427 424 HA ILE 52 HA ILE 52 4.546 5.994 5.084 425 HB ILE 52 HB ILE 52 6.545 7.471 3.353 426 HG12 ILE 52 2HG1 ILE 52 4.290 7.529 2.360 427 HG13 ILE 52 1HG1 ILE 52 5.369 6.497 1.428 428 HG21 ILE 52 1HG2 ILE 52 7.158 5.209 2.554 429 HG22 ILE 52 2HG2 ILE 52 6.077 4.512 3.763 430 HG23 ILE 52 3HG2 ILE 52 7.489 5.438 4.271 431 HD11 ILE 52 3HD1 ILE 52 3.289 5.562 3.395 432 HD12 ILE 52 1HD1 ILE 52 4.362 4.524 2.455 433 HD13 ILE 52 2HD1 ILE 52 3.159 5.520 1.636 434 H GLN 53 H GLN 53 6.049 5.016 6.424 435 HA GLN 53 HA GLN 53 8.057 6.762 7.715 436 HB2 GLN 53 2HB GLN 53 6.422 4.505 8.888 437 HB3 GLN 53 1HB GLN 53 7.826 5.188 9.697 438 HG2 GLN 53 2HG GLN 53 6.725 7.398 9.682 439 HG3 GLN 53 1HG GLN 53 5.301 6.658 8.948 440 HE21 GLN 53 1HE2 GLN 53 4.020 5.302 10.185 441 HE22 GLN 53 2HE2 GLN 53 4.140 5.224 11.904 442 H GLN 54 H GLN 54 10.143 6.139 7.606 443 HA GLN 54 HA GLN 54 10.879 3.893 5.997 444 HB2 GLN 54 2HB GLN 54 12.660 5.681 7.675 445 HB3 GLN 54 1HB GLN 54 13.199 4.576 6.419 446 HG2 GLN 54 2HG GLN 54 13.250 6.693 5.427 447 HG3 GLN 54 1HG GLN 54 11.780 5.945 4.809 448 HE21 GLN 54 1HE2 GLN 54 13.090 8.393 6.892 449 HE22 GLN 54 2HE2 GLN 54 11.617 9.264 7.133 450 H HIS 55 H HIS 55 10.302 1.952 6.964 451 HA HIS 55 HA HIS 55 11.376 1.414 9.662 452 HB2 HIS 55 2HB HIS 55 8.834 1.261 9.022 453 HB3 HIS 55 1HB HIS 55 9.284 -0.286 8.324 454 HD1 HIS 55 HD1 HIS 55 8.142 1.201 11.373 455 HD2 HIS 55 HD2 HIS 55 10.559 -2.038 10.398 456 HE1 HIS 55 HE1 HIS 55 8.223 -0.225 13.434 457 HE2 HIS 55 HE2 HIS 55 9.603 -2.231 12.789 458 H LYS 56 H LYS 56 12.478 0.984 6.676 459 HA LYS 56 HA LYS 56 13.874 -1.487 7.340 460 HB2 LYS 56 2HB LYS 56 11.604 -1.830 5.957 461 HB3 LYS 56 1HB LYS 56 12.661 -1.455 4.607 462 HG2 LYS 56 2HG LYS 56 14.153 -3.317 5.327 463 HG3 LYS 56 1HG LYS 56 12.977 -3.719 6.578 464 HD2 LYS 56 2HD LYS 56 11.268 -4.064 4.812 465 HD3 LYS 56 1HD LYS 56 12.504 -3.749 3.590 466 HE2 LYS 56 2HE LYS 56 12.212 -6.136 3.844 467 HE3 LYS 56 1HE LYS 56 13.800 -5.672 4.452 468 HZ1 LYS 56 3HZ LYS 56 12.905 -5.743 6.705 469 HZ2 LYS 56 1HZ LYS 56 12.722 -7.235 5.931 470 HZ3 LYS 56 2HZ LYS 56 11.394 -6.205 6.111 471 H TYR 57 H TYR 57 14.803 -1.863 4.562 472 HA TYR 57 HA TYR 57 17.117 -0.285 4.666 473 HB2 TYR 57 2HB TYR 57 15.959 -2.015 2.486 474 HB3 TYR 57 1HB TYR 57 17.498 -1.183 2.304 475 HD1 TYR 57 HD2 TYR 57 15.753 -3.497 4.676 476 HD2 TYR 57 HD1 TYR 57 19.438 -2.317 2.895 477 HE1 TYR 57 HE2 TYR 57 16.886 -5.390 5.771 478 HE2 TYR 57 HE1 TYR 57 20.572 -4.199 3.990 479 HH TYR 57 HH TYR 57 18.925 -6.770 5.408 480 H GLN 58 H GLN 58 16.299 1.908 4.773 481 HA GLN 58 HA GLN 58 15.706 2.998 2.101 482 HB2 GLN 58 2HB GLN 58 15.112 4.028 4.862 483 HB3 GLN 58 1HB GLN 58 15.178 5.133 3.492 484 HG2 GLN 58 2HG GLN 58 13.428 2.680 3.622 485 HG3 GLN 58 1HG GLN 58 12.893 4.320 3.998 486 HE21 GLN 58 1HE2 GLN 58 12.335 2.265 1.787 487 HE22 GLN 58 2HE2 GLN 58 12.448 3.191 0.338 488 H ASN 59 H ASN 59 17.517 3.363 1.101 489 HA ASN 59 HA ASN 59 19.458 5.247 1.846 490 HB2 ASN 59 2HB ASN 59 20.032 3.453 3.522 491 HB3 ASN 59 1HB ASN 59 20.384 2.369 2.183 492 HD21 ASN 59 1HD2 ASN 59 22.167 3.209 4.258 493 HD22 ASN 59 2HD2 ASN 59 23.477 4.039 3.493 494 H GLU 60 H GLU 60 18.853 2.205 0.133 495 HA GLU 60 HA GLU 60 20.327 3.233 -2.202 496 HB2 GLU 60 2HB GLU 60 21.011 1.023 -1.309 497 HB3 GLU 60 1HB GLU 60 19.399 0.406 -1.646 498 HG2 GLU 60 2HG GLU 60 20.986 -0.264 -3.369 499 HG3 GLU 60 1HG GLU 60 19.731 0.785 -4.032 500 H LEU 61 H LEU 61 17.103 2.367 -1.138 501 HA LEU 61 HA LEU 61 16.103 3.093 -3.800 502 HB2 LEU 61 2HB LEU 61 14.415 1.273 -3.689 503 HB3 LEU 61 1HB LEU 61 16.066 0.713 -3.853 504 HG LEU 61 HG LEU 61 15.902 0.469 -1.215 505 HD11 LEU 61 1HD1 LEU 61 13.669 1.443 -1.011 506 HD12 LEU 61 2HD1 LEU 61 13.698 -0.234 -0.470 507 HD13 LEU 61 3HD1 LEU 61 13.017 0.170 -2.045 508 HD21 LEU 61 3HD2 LEU 61 16.376 -1.348 -2.763 509 HD22 LEU 61 1HD2 LEU 61 14.661 -1.491 -3.149 510 HD23 LEU 61 2HD2 LEU 61 15.236 -1.867 -1.524 511 H ASP 62 H ASP 62 14.335 4.353 -3.837 512 HA ASP 62 HA ASP 62 13.266 5.316 -1.305 513 HB2 ASP 62 2HB ASP 62 12.954 6.202 -4.172 514 HB3 ASP 62 1HB ASP 62 12.011 6.918 -2.866 515 H ILE 63 H ILE 63 11.160 5.103 -0.606 516 HA ILE 63 HA ILE 63 9.380 3.343 -2.183 517 HB ILE 63 HB ILE 63 9.902 3.315 0.792 518 HG12 ILE 63 2HG1 ILE 63 10.026 1.146 -1.328 519 HG13 ILE 63 1HG1 ILE 63 11.411 1.962 -0.611 520 HG21 ILE 63 1HG2 ILE 63 7.494 3.245 0.521 521 HG22 ILE 63 2HG2 ILE 63 8.083 1.652 0.993 522 HG23 ILE 63 3HG2 ILE 63 7.638 1.965 -0.684 523 HD11 ILE 63 3HD1 ILE 63 11.112 -0.230 0.358 524 HD12 ILE 63 1HD1 ILE 63 9.461 0.175 0.829 525 HD13 ILE 63 2HD1 ILE 63 10.822 1.016 1.572 526 H LYS 64 H LYS 64 7.726 4.528 -2.897 527 HA LYS 64 HA LYS 64 6.125 6.041 -0.963 528 HB2 LYS 64 2HB LYS 64 7.092 7.176 -3.605 529 HB3 LYS 64 1HB LYS 64 5.837 7.909 -2.612 530 HG2 LYS 64 2HG LYS 64 7.434 8.241 -0.805 531 HG3 LYS 64 1HG LYS 64 8.692 7.449 -1.754 532 HD2 LYS 64 2HD LYS 64 8.550 9.228 -3.436 533 HD3 LYS 64 1HD LYS 64 7.270 10.013 -2.506 534 HE2 LYS 64 2HE LYS 64 8.805 10.345 -0.643 535 HE3 LYS 64 1HE LYS 64 10.083 9.509 -1.524 536 HZ1 LYS 64 3HZ LYS 64 10.085 11.248 -3.163 537 HZ2 LYS 64 1HZ LYS 64 10.276 11.934 -1.631 538 HZ3 LYS 64 2HZ LYS 64 8.783 12.027 -2.414 539 H ILE 65 H ILE 65 3.925 5.938 -1.336 540 HA ILE 65 HA ILE 65 3.065 3.974 -3.316 541 HB ILE 65 HB ILE 65 1.450 5.346 -1.150 542 HG12 ILE 65 2HG1 ILE 65 2.693 2.580 -1.210 543 HG13 ILE 65 1HG1 ILE 65 3.244 3.935 -0.228 544 HG21 ILE 65 1HG2 ILE 65 -0.209 3.567 -1.546 545 HG22 ILE 65 2HG2 ILE 65 0.766 2.964 -2.886 546 HG23 ILE 65 3HG2 ILE 65 0.035 4.566 -2.981 547 HD11 ILE 65 3HD1 ILE 65 1.957 2.363 1.091 548 HD12 ILE 65 1HD1 ILE 65 0.581 2.546 0.004 549 HD13 ILE 65 2HD1 ILE 65 1.120 3.912 0.983 550 H ILE 66 H ILE 66 2.030 4.444 -5.159 551 HA ILE 66 HA ILE 66 1.404 7.199 -5.831 552 HB ILE 66 HB ILE 66 0.985 4.709 -7.508 553 HG12 ILE 66 2HG1 ILE 66 3.338 6.626 -7.469 554 HG13 ILE 66 1HG1 ILE 66 3.353 4.987 -6.827 555 HG21 ILE 66 1HG2 ILE 66 -0.316 6.635 -8.270 556 HG22 ILE 66 2HG2 ILE 66 0.980 6.267 -9.407 557 HG23 ILE 66 3HG2 ILE 66 1.143 7.625 -8.294 558 HD11 ILE 66 3HD1 ILE 66 2.935 4.119 -9.084 559 HD12 ILE 66 1HD1 ILE 66 4.422 5.065 -8.989 560 HD13 ILE 66 2HD1 ILE 66 2.975 5.768 -9.711 561 H ASN 67 H ASN 67 -0.410 4.125 -5.577 562 HA ASN 67 HA ASN 67 -2.663 5.337 -4.380 563 HB2 ASN 67 2HB ASN 67 -4.331 4.974 -6.191 564 HB3 ASN 67 1HB ASN 67 -3.160 6.229 -6.575 565 HD21 ASN 67 1HD2 ASN 67 -1.671 5.870 -8.204 566 HD22 ASN 67 2HD2 ASN 67 -1.832 4.574 -9.331 567 H PHE 68 H PHE 68 -4.698 3.649 -4.815 568 HA PHE 68 HA PHE 68 -3.595 1.014 -4.049 569 HB2 PHE 68 2HB PHE 68 -6.230 2.233 -3.165 570 HB3 PHE 68 1HB PHE 68 -5.521 0.729 -2.586 571 HD1 PHE 68 HD1 PHE 68 -5.099 4.409 -2.617 572 HD2 PHE 68 HD2 PHE 68 -3.962 0.727 -0.806 573 HE1 PHE 68 HE1 PHE 68 -3.982 5.648 -0.813 574 HE2 PHE 68 HE2 PHE 68 -2.841 1.965 1.001 575 HZ PHE 68 HZ PHE 68 -2.851 4.428 1.001 576 H LEU 69 H LEU 69 -4.158 -0.699 -5.293 577 HA LEU 69 HA LEU 69 -6.225 -0.303 -7.346 578 HB2 LEU 69 2HB LEU 69 -3.906 -2.208 -7.122 579 HB3 LEU 69 1HB LEU 69 -5.191 -2.468 -8.287 580 HG LEU 69 HG LEU 69 -4.676 -0.270 -9.318 581 HD11 LEU 69 1HD1 LEU 69 -2.353 -0.234 -7.391 582 HD12 LEU 69 2HD1 LEU 69 -3.728 0.871 -7.394 583 HD13 LEU 69 3HD1 LEU 69 -2.590 0.880 -8.740 584 HD21 LEU 69 3HD2 LEU 69 -2.566 -0.958 -10.378 585 HD22 LEU 69 1HD2 LEU 69 -3.705 -2.299 -10.244 586 HD23 LEU 69 2HD2 LEU 69 -2.344 -2.182 -9.127 587 H TYR 70 H TYR 70 -8.114 -1.317 -7.315 588 HA TYR 70 HA TYR 70 -8.692 -3.399 -5.360 589 HB2 TYR 70 2HB TYR 70 -10.468 -2.178 -7.491 590 HB3 TYR 70 1HB TYR 70 -10.998 -3.258 -6.211 591 HD1 TYR 70 HD1 TYR 70 -9.580 -2.085 -3.863 592 HD2 TYR 70 HD2 TYR 70 -11.632 -0.218 -7.088 593 HE1 TYR 70 HE1 TYR 70 -10.086 -0.156 -2.422 594 HE2 TYR 70 HE2 TYR 70 -12.137 1.715 -5.661 595 HH TYR 70 HH TYR 70 -10.657 2.187 -2.619 596 HA PRO 71 HA PRO 71 -7.844 -6.869 -8.050 597 HB2 PRO 71 2HB PRO 71 -10.227 -8.098 -6.739 598 HB3 PRO 71 1HB PRO 71 -8.582 -8.725 -6.902 599 HG2 PRO 71 2HG PRO 71 -9.427 -7.770 -4.566 600 HG3 PRO 71 1HG PRO 71 -7.776 -7.446 -5.128 601 HD2 PRO 71 2HD PRO 71 -10.171 -5.644 -5.131 602 HD3 PRO 71 1HD PRO 71 -8.474 -5.263 -4.766 603 H ASP 72 H ASP 72 -8.335 -6.505 -10.146 604 HA ASP 72 HA ASP 72 -9.428 -6.585 -12.124 605 HB2 ASP 72 2HB ASP 72 -11.596 -7.976 -10.533 606 HB3 ASP 72 1HB ASP 72 -11.536 -7.885 -12.292 607 H GLY 73 H GLY 73 -9.788 -4.299 -10.271 608 HA2 GLY 73 2HA GLY 73 -10.811 -2.243 -10.393 609 HA3 GLY 73 1HA GLY 73 -11.499 -2.766 -11.918 610 H ASP 74 H ASP 74 -11.956 -3.585 -8.466 611 HA ASP 74 HA ASP 74 -14.639 -2.563 -8.456 612 HB2 ASP 74 2HB ASP 74 -15.186 -4.633 -9.534 613 HB3 ASP 74 1HB ASP 74 -14.180 -5.555 -8.419 614 H PHE 75 H PHE 75 -15.091 -1.856 -6.439 615 HA PHE 75 HA PHE 75 -13.238 -2.340 -4.312 616 HB2 PHE 75 2HB PHE 75 -14.709 -0.907 -2.955 617 HB3 PHE 75 1HB PHE 75 -14.354 -0.174 -4.515 618 HD1 PHE 75 HD1 PHE 75 -16.086 0.069 -6.204 619 HD2 PHE 75 HD2 PHE 75 -16.950 -1.656 -2.401 620 HE1 PHE 75 HE1 PHE 75 -18.492 0.360 -6.617 621 HE2 PHE 75 HE2 PHE 75 -19.354 -1.367 -2.818 622 HZ PHE 75 HZ PHE 75 -20.127 -0.359 -4.924 623 H GLY 76 H GLY 76 -16.311 -3.725 -5.253 624 HA2 GLY 76 2HA GLY 76 -17.073 -4.980 -2.854 625 HA3 GLY 76 1HA GLY 76 -17.457 -5.560 -4.469 626 H SER 77 H SER 77 -14.942 -6.143 -5.454 627 HA SER 77 HA SER 77 -14.309 -8.641 -4.304 628 HB2 SER 77 2HB SER 77 -12.404 -8.691 -5.825 629 HB3 SER 77 1HB SER 77 -13.798 -8.019 -6.671 630 HG SER 77 HG SER 77 -12.348 -6.528 -7.130 631 H ALA 78 H ALA 78 -12.719 -5.473 -4.071 632 HA ALA 78 HA ALA 78 -10.604 -6.165 -2.387 633 HB1 ALA 78 3HB ALA 78 -10.802 -3.990 -3.507 634 HB2 ALA 78 1HB ALA 78 -10.514 -3.809 -1.776 635 HB3 ALA 78 2HB ALA 78 -12.133 -3.562 -2.431 636 H ASN 79 H ASN 79 -13.961 -5.407 -1.610 637 HA ASN 79 HA ASN 79 -13.656 -5.319 1.218 638 HB2 ASN 79 2HB ASN 79 -16.107 -5.835 -0.483 639 HB3 ASN 79 1HB ASN 79 -16.142 -5.558 1.256 640 HD21 ASN 79 1HD2 ASN 79 -17.350 -4.035 -0.916 641 HD22 ASN 79 2HD2 ASN 79 -16.739 -2.430 -0.762 642 H LYS 80 H LYS 80 -14.741 -7.919 -0.990 643 HA LYS 80 HA LYS 80 -15.205 -9.766 1.145 644 HB2 LYS 80 2HB LYS 80 -15.677 -11.401 -0.534 645 HB3 LYS 80 1HB LYS 80 -16.363 -9.874 -1.063 646 HG2 LYS 80 2HG LYS 80 -14.428 -9.559 -2.566 647 HG3 LYS 80 1HG LYS 80 -13.811 -11.132 -2.060 648 HD2 LYS 80 2HD LYS 80 -15.867 -12.201 -2.906 649 HD3 LYS 80 1HD LYS 80 -16.455 -10.628 -3.445 650 HE2 LYS 80 2HE LYS 80 -15.522 -11.802 -5.327 651 HE3 LYS 80 1HE LYS 80 -14.468 -10.447 -4.927 652 HZ1 LYS 80 3HZ LYS 80 -13.050 -12.048 -3.702 653 HZ2 LYS 80 1HZ LYS 80 -13.143 -12.368 -5.361 654 HZ3 LYS 80 2HZ LYS 80 -14.023 -13.308 -4.272 655 H ASN 81 H ASN 81 -12.514 -9.279 -1.110 656 HA ASN 81 HA ASN 81 -10.986 -11.507 -0.164 657 HB2 ASN 81 2HB ASN 81 -10.246 -9.067 -1.791 658 HB3 ASN 81 1HB ASN 81 -9.091 -10.332 -1.384 659 HD21 ASN 81 1HD2 ASN 81 -8.749 -10.898 -3.498 660 HD22 ASN 81 2HD2 ASN 81 -9.934 -11.709 -4.458 661 H GLY 82 H GLY 82 -11.303 -8.149 0.790 662 HA2 GLY 82 2HA GLY 82 -10.383 -6.947 2.523 663 HA3 GLY 82 1HA GLY 82 -9.842 -8.475 3.205 664 H THR 83 H THR 83 -8.949 -7.456 -0.005 665 HA THR 83 HA THR 83 -6.151 -7.079 0.888 666 HB THR 83 HB THR 83 -5.374 -8.224 -1.135 667 HG1 THR 83 HG1 THR 83 -7.688 -7.738 -2.119 668 HG21 THR 83 3HG2 THR 83 -6.056 -10.523 -0.586 669 HG22 THR 83 1HG2 THR 83 -7.377 -9.896 0.402 670 HG23 THR 83 2HG2 THR 83 -5.704 -9.593 0.871 671 H LEU 84 H LEU 84 -4.997 -5.464 -0.066 672 HA LEU 84 HA LEU 84 -6.135 -4.107 -2.429 673 HB2 LEU 84 2HB LEU 84 -4.833 -2.807 -0.028 674 HB3 LEU 84 1HB LEU 84 -5.158 -1.970 -1.532 675 HG LEU 84 HG LEU 84 -7.247 -3.146 0.316 676 HD11 LEU 84 1HD1 LEU 84 -7.839 -0.818 0.771 677 HD12 LEU 84 2HD1 LEU 84 -6.508 -0.271 -0.249 678 HD13 LEU 84 3HD1 LEU 84 -6.173 -1.156 1.240 679 HD21 LEU 84 3HD2 LEU 84 -8.871 -2.023 -1.145 680 HD22 LEU 84 1HD2 LEU 84 -7.960 -3.257 -2.015 681 HD23 LEU 84 2HD2 LEU 84 -7.565 -1.552 -2.233 682 H LYS 85 H LYS 85 -4.678 -3.551 -4.028 683 HA LYS 85 HA LYS 85 -1.948 -4.554 -3.671 684 HB2 LYS 85 2HB LYS 85 -3.561 -3.858 -6.121 685 HB3 LYS 85 1HB LYS 85 -1.819 -4.074 -6.204 686 HG2 LYS 85 2HG LYS 85 -2.842 -6.129 -6.843 687 HG3 LYS 85 1HG LYS 85 -2.108 -6.361 -5.257 688 HD2 LYS 85 2HD LYS 85 -4.366 -5.975 -4.240 689 HD3 LYS 85 1HD LYS 85 -5.041 -5.943 -5.871 690 HE2 LYS 85 2HE LYS 85 -3.629 -8.251 -4.525 691 HE3 LYS 85 1HE LYS 85 -5.344 -8.144 -4.921 692 HZ1 LYS 85 3HZ LYS 85 -4.218 -9.491 -6.537 693 HZ2 LYS 85 1HZ LYS 85 -3.094 -8.268 -6.854 694 HZ3 LYS 85 2HZ LYS 85 -4.715 -8.059 -7.280 695 H LEU 86 H LEU 86 -0.563 -3.154 -2.859 696 HA LEU 86 HA LEU 86 -0.838 -0.298 -3.174 697 HB2 LEU 86 2HB LEU 86 1.362 -1.966 -1.931 698 HB3 LEU 86 1HB LEU 86 1.315 -0.218 -1.899 699 HG LEU 86 HG LEU 86 0.604 -1.042 0.232 700 HD11 LEU 86 1HD1 LEU 86 -1.605 -0.039 0.432 701 HD12 LEU 86 2HD1 LEU 86 -1.787 -0.062 -1.322 702 HD13 LEU 86 3HD1 LEU 86 -0.542 0.940 -0.576 703 HD21 LEU 86 3HD2 LEU 86 -0.074 -3.290 -0.431 704 HD22 LEU 86 1HD2 LEU 86 -1.510 -2.635 -1.219 705 HD23 LEU 86 2HD2 LEU 86 -1.324 -2.503 0.531 706 H SER 87 H SER 87 -0.072 0.848 -4.862 707 HA SER 87 HA SER 87 2.003 -0.310 -6.581 708 HB2 SER 87 2HB SER 87 0.289 2.165 -6.924 709 HB3 SER 87 1HB SER 87 1.515 1.638 -8.078 710 HG SER 87 HG SER 87 -0.669 0.032 -7.241 711 H LEU 88 H LEU 88 3.954 -0.064 -5.606 712 HA LEU 88 HA LEU 88 4.703 2.550 -4.502 713 HB2 LEU 88 2HB LEU 88 5.913 -0.199 -4.328 714 HB3 LEU 88 1HB LEU 88 6.853 1.218 -3.903 715 HG LEU 88 HG LEU 88 5.227 1.787 -2.146 716 HD11 LEU 88 1HD1 LEU 88 3.862 -0.787 -2.940 717 HD12 LEU 88 2HD1 LEU 88 3.209 0.843 -3.111 718 HD13 LEU 88 3HD1 LEU 88 3.489 0.171 -1.505 719 HD21 LEU 88 3HD2 LEU 88 5.779 -0.032 -0.612 720 HD22 LEU 88 1HD2 LEU 88 7.170 0.415 -1.600 721 HD23 LEU 88 2HD2 LEU 88 6.255 -1.045 -1.976 722 H MET 89 H MET 89 6.074 3.919 -5.468 723 HA MET 89 HA MET 89 7.372 3.121 -7.970 724 HB2 MET 89 2HB MET 89 7.908 5.576 -8.162 725 HB3 MET 89 1HB MET 89 6.194 5.191 -8.153 726 HG2 MET 89 2HG MET 89 5.986 5.907 -5.867 727 HG3 MET 89 1HG MET 89 7.729 6.142 -5.739 728 HE1 MET 89 3HE MET 89 8.354 9.194 -8.076 729 HE2 MET 89 1HE MET 89 8.474 7.485 -8.498 730 HE3 MET 89 2HE MET 89 9.067 8.055 -6.936 731 H LEU 90 H LEU 90 9.226 2.053 -7.577 732 HA LEU 90 HA LEU 90 11.031 2.857 -5.446 733 HB2 LEU 90 2HB LEU 90 11.180 0.651 -7.511 734 HB3 LEU 90 1HB LEU 90 12.446 0.959 -6.339 735 HG LEU 90 HG LEU 90 11.107 -0.895 -5.589 736 HD11 LEU 90 1HD1 LEU 90 10.412 -0.117 -3.389 737 HD12 LEU 90 2HD1 LEU 90 10.475 1.555 -3.949 738 HD13 LEU 90 3HD1 LEU 90 11.954 0.596 -3.864 739 HD21 LEU 90 3HD2 LEU 90 8.721 -0.698 -5.102 740 HD22 LEU 90 1HD2 LEU 90 9.053 -0.427 -6.812 741 HD23 LEU 90 2HD2 LEU 90 8.717 0.942 -5.750 742 H THR 91 H THR 91 12.894 3.976 -5.683 743 HA THR 91 HA THR 91 13.857 4.570 -8.415 744 HB THR 91 HB THR 91 13.656 6.578 -6.147 745 HG1 THR 91 HG1 THR 91 11.790 5.905 -7.735 746 HG21 THR 91 3HG2 THR 91 14.515 8.213 -7.779 747 HG22 THR 91 1HG2 THR 91 14.747 6.916 -8.951 748 HG23 THR 91 2HG2 THR 91 15.694 6.940 -7.464 749 H ASP 92 H ASP 92 15.899 3.981 -8.691 750 HA ASP 92 HA ASP 92 17.565 2.999 -6.631 751 HB2 ASP 92 2HB ASP 92 18.398 3.935 -9.388 752 HB3 ASP 92 1HB ASP 92 19.291 2.839 -8.342 753 H LYS 93 H LYS 93 19.120 3.950 -5.388 754 HA LYS 93 HA LYS 93 19.542 6.815 -5.581 755 HB2 LYS 93 2HB LYS 93 20.541 4.705 -3.668 756 HB3 LYS 93 1HB LYS 93 21.067 6.381 -3.584 757 HG2 LYS 93 2HG LYS 93 18.161 5.571 -3.456 758 HG3 LYS 93 1HG LYS 93 19.190 5.719 -2.028 759 HD2 LYS 93 2HD LYS 93 19.649 8.083 -2.674 760 HD3 LYS 93 1HD LYS 93 18.490 7.908 -3.996 761 HE2 LYS 93 2HE LYS 93 16.717 7.423 -2.391 762 HE3 LYS 93 1HE LYS 93 17.869 7.535 -1.062 763 HZ1 LYS 93 3HZ LYS 93 16.596 9.560 -1.285 764 HZ2 LYS 93 1HZ LYS 93 17.103 9.750 -2.887 765 HZ3 LYS 93 2HZ LYS 93 18.225 9.864 -1.631 766 H LYS 94 H LYS 94 21.311 3.867 -6.402 767 HA LYS 94 HA LYS 94 23.630 5.433 -7.240 768 HB2 LYS 94 2HB LYS 94 24.631 3.283 -7.916 769 HB3 LYS 94 1HB LYS 94 24.105 3.277 -6.240 770 HG2 LYS 94 2HG LYS 94 22.334 1.818 -6.668 771 HG3 LYS 94 1HG LYS 94 22.343 2.160 -8.397 772 HD2 LYS 94 2HD LYS 94 23.253 -0.078 -7.856 773 HD3 LYS 94 1HD LYS 94 24.423 0.957 -8.675 774 HE2 LYS 94 2HE LYS 94 25.520 -0.224 -6.884 775 HE3 LYS 94 1HE LYS 94 25.434 1.487 -6.476 776 HZ1 LYS 94 3HZ LYS 94 23.673 -0.662 -5.429 777 HZ2 LYS 94 1HZ LYS 94 23.498 0.986 -5.078 778 HZ3 LYS 94 2HZ LYS 94 24.879 0.157 -4.579 779 H ASN 95 H ASN 95 21.149 3.404 -8.832 780 HA ASN 95 HA ASN 95 22.201 4.020 -11.466 781 HB2 ASN 95 2HB ASN 95 19.753 2.439 -10.641 782 HB3 ASN 95 1HB ASN 95 20.399 2.539 -12.276 783 HD21 ASN 95 1HD2 ASN 95 20.045 0.299 -10.320 784 HD22 ASN 95 2HD2 ASN 95 21.596 -0.468 -10.278 785 H ASN 96 H ASN 96 19.775 5.309 -9.389 786 HA ASN 96 HA ASN 96 18.194 6.928 -9.596 787 HB2 ASN 96 2HB ASN 96 19.867 7.743 -11.988 788 HB3 ASN 96 1HB ASN 96 18.660 8.751 -11.195 789 HD21 ASN 96 1HD2 ASN 96 21.843 7.397 -10.974 790 HD22 ASN 96 2HD2 ASN 96 22.349 8.312 -9.600 791 H GLN 97 H GLN 97 17.741 4.365 -11.003 792 HA GLN 97 HA GLN 97 16.117 5.078 -13.320 793 HB2 GLN 97 2HB GLN 97 16.597 2.382 -12.019 794 HB3 GLN 97 1HB GLN 97 15.778 2.649 -13.553 795 HG2 GLN 97 2HG GLN 97 18.664 3.300 -12.970 796 HG3 GLN 97 1HG GLN 97 18.085 1.882 -13.844 797 HE21 GLN 97 1HE2 GLN 97 19.850 4.069 -14.693 798 HE22 GLN 97 2HE2 GLN 97 19.123 4.728 -16.114 799 H VAL 98 H VAL 98 13.956 3.474 -13.254 800 HA VAL 98 HA VAL 98 12.599 3.919 -10.677 801 HB VAL 98 HB VAL 98 11.949 5.768 -12.159 802 HG11 VAL 98 1HG1 VAL 98 10.857 3.628 -13.993 803 HG12 VAL 98 2HG1 VAL 98 12.233 4.680 -14.325 804 HG13 VAL 98 3HG1 VAL 98 10.616 5.367 -14.178 805 HG21 VAL 98 3HG2 VAL 98 9.527 5.546 -11.934 806 HG22 VAL 98 1HG2 VAL 98 10.348 4.925 -10.502 807 HG23 VAL 98 2HG2 VAL 98 9.695 3.805 -11.700 808 H TYR 99 H TYR 99 11.206 2.347 -10.041 809 HA TYR 99 HA TYR 99 10.482 0.204 -11.928 810 HB2 TYR 99 2HB TYR 99 12.439 -0.598 -10.698 811 HB3 TYR 99 1HB TYR 99 11.671 -0.198 -9.166 812 HD1 TYR 99 HD2 TYR 99 11.120 -2.311 -12.208 813 HD2 TYR 99 HD1 TYR 99 10.546 -1.880 -8.009 814 HE1 TYR 99 HE2 TYR 99 10.175 -4.578 -12.109 815 HE2 TYR 99 HE1 TYR 99 9.601 -4.148 -7.902 816 HH TYR 99 HH TYR 99 9.839 -6.361 -10.491 817 H TYR 100 H TYR 100 8.451 -0.675 -11.611 818 HA TYR 100 HA TYR 100 6.789 0.598 -9.532 819 HB2 TYR 100 2HB TYR 100 5.891 -0.812 -12.060 820 HB3 TYR 100 1HB TYR 100 4.872 0.100 -10.950 821 HD1 TYR 100 HD2 TYR 100 5.152 2.597 -10.795 822 HD2 TYR 100 HD1 TYR 100 7.137 0.274 -13.764 823 HE1 TYR 100 HE2 TYR 100 5.576 4.636 -12.104 824 HE2 TYR 100 HE1 TYR 100 7.568 2.304 -15.075 825 HH TYR 100 HH TYR 100 7.182 5.420 -13.817 826 H LYS 101 H LYS 101 6.312 -0.637 -7.804 827 HA LYS 101 HA LYS 101 6.248 -3.576 -8.154 828 HB2 LYS 101 2HB LYS 101 8.116 -2.742 -6.734 829 HB3 LYS 101 1HB LYS 101 6.934 -2.041 -5.635 830 HG2 LYS 101 2HG LYS 101 7.652 -4.107 -4.692 831 HG3 LYS 101 1HG LYS 101 6.007 -4.344 -5.286 832 HD2 LYS 101 2HD LYS 101 6.980 -5.334 -7.375 833 HD3 LYS 101 1HD LYS 101 8.575 -5.228 -6.624 834 HE2 LYS 101 2HE LYS 101 7.737 -7.460 -6.345 835 HE3 LYS 101 1HE LYS 101 7.732 -6.663 -4.772 836 HZ1 LYS 101 3HZ LYS 101 5.356 -6.232 -5.070 837 HZ2 LYS 101 1HZ LYS 101 5.698 -7.887 -5.111 838 HZ3 LYS 101 2HZ LYS 101 5.383 -7.051 -6.544 839 H LEU 102 H LEU 102 4.365 -4.575 -7.762 840 HA LEU 102 HA LEU 102 2.236 -3.170 -6.306 841 HB2 LEU 102 2HB LEU 102 2.174 -5.738 -7.906 842 HB3 LEU 102 1HB LEU 102 0.779 -5.003 -7.134 843 HG LEU 102 HG LEU 102 2.397 -3.777 -9.381 844 HD11 LEU 102 1HD1 LEU 102 1.062 -5.682 -10.119 845 HD12 LEU 102 2HD1 LEU 102 0.415 -4.168 -10.748 846 HD13 LEU 102 3HD1 LEU 102 -0.377 -4.968 -9.391 847 HD21 LEU 102 3HD2 LEU 102 -0.114 -2.791 -8.016 848 HD22 LEU 102 1HD2 LEU 102 0.636 -2.071 -9.441 849 HD23 LEU 102 2HD2 LEU 102 1.491 -2.066 -7.900 850 H LEU 103 H LEU 103 1.606 -3.747 -4.290 851 HA LEU 103 HA LEU 103 2.792 -6.190 -3.111 852 HB2 LEU 103 2HB LEU 103 1.900 -3.660 -1.720 853 HB3 LEU 103 1HB LEU 103 2.587 -5.069 -0.932 854 HG LEU 103 HG LEU 103 4.026 -3.278 -2.900 855 HD11 LEU 103 1HD1 LEU 103 4.346 -3.576 0.085 856 HD12 LEU 103 2HD1 LEU 103 3.612 -2.204 -0.744 857 HD13 LEU 103 3HD1 LEU 103 5.324 -2.556 -0.971 858 HD21 LEU 103 3HD2 LEU 103 6.028 -4.555 -2.276 859 HD22 LEU 103 1HD2 LEU 103 4.818 -5.582 -3.047 860 HD23 LEU 103 2HD2 LEU 103 5.034 -5.636 -1.296 861 H GLU 104 H GLU 104 1.391 -7.789 -2.736 862 HA GLU 104 HA GLU 104 -1.462 -7.219 -2.403 863 HB2 GLU 104 2HB GLU 104 -0.034 -9.887 -2.562 864 HB3 GLU 104 1HB GLU 104 -1.777 -9.640 -2.590 865 HG2 GLU 104 2HG GLU 104 -1.515 -8.369 -4.701 866 HG3 GLU 104 1HG GLU 104 0.204 -8.763 -4.685 867 H VAL 105 H VAL 105 -1.976 -6.618 -0.369 868 HA VAL 105 HA VAL 105 -1.006 -8.304 1.865 869 HB VAL 105 HB VAL 105 -1.172 -6.344 3.349 870 HG11 VAL 105 1HG1 VAL 105 0.595 -5.878 0.939 871 HG12 VAL 105 2HG1 VAL 105 0.988 -6.864 2.346 872 HG13 VAL 105 3HG1 VAL 105 0.795 -5.120 2.520 873 HG21 VAL 105 3HG2 VAL 105 -2.872 -5.072 2.183 874 HG22 VAL 105 1HG2 VAL 105 -1.791 -4.817 0.813 875 HG23 VAL 105 2HG2 VAL 105 -1.426 -4.084 2.376 876 H SER 106 H SER 106 -2.466 -8.652 3.619 877 HA SER 106 HA SER 106 -5.321 -8.240 2.941 878 HB2 SER 106 2HB SER 106 -4.100 -10.577 4.445 879 HB3 SER 106 1HB SER 106 -5.811 -10.363 4.082 880 HG SER 106 HG SER 106 -3.698 -11.090 2.401 881 H GLY 107 H GLY 107 -6.781 -8.398 4.946 882 HA2 GLY 107 2HA GLY 107 -6.794 -8.332 7.416 883 HA3 GLY 107 1HA GLY 107 -5.419 -7.253 7.321 884 H PHE 108 H PHE 108 -7.369 -6.259 4.877 885 HA PHE 108 HA PHE 108 -8.212 -3.932 6.325 886 HB2 PHE 108 2HB PHE 108 -8.860 -4.790 3.494 887 HB3 PHE 108 1HB PHE 108 -9.159 -3.191 4.171 888 HD1 PHE 108 HD2 PHE 108 -7.126 -1.879 5.033 889 HD2 PHE 108 HD1 PHE 108 -6.818 -5.277 2.482 890 HE1 PHE 108 HE2 PHE 108 -4.863 -1.176 4.375 891 HE2 PHE 108 HE1 PHE 108 -4.557 -4.579 1.825 892 HZ PHE 108 HZ PHE 108 -3.573 -2.527 2.770 893 H LYS 109 H LYS 109 -10.089 -6.428 4.560 894 HA LYS 109 HA LYS 109 -12.230 -6.171 6.537 895 HB2 LYS 109 2HB LYS 109 -12.637 -4.595 4.549 896 HB3 LYS 109 1HB LYS 109 -12.889 -6.046 3.591 897 HG2 LYS 109 2HG LYS 109 -15.012 -5.127 4.317 898 HG3 LYS 109 1HG LYS 109 -14.739 -6.701 5.070 899 HD2 LYS 109 2HD LYS 109 -13.978 -5.582 7.123 900 HD3 LYS 109 1HD LYS 109 -14.255 -4.012 6.372 901 HE2 LYS 109 2HE LYS 109 -16.631 -4.460 6.227 902 HE3 LYS 109 1HE LYS 109 -16.390 -6.092 6.858 903 HZ1 LYS 109 3HZ LYS 109 -15.604 -5.142 8.927 904 HZ2 LYS 109 1HZ LYS 109 -17.155 -4.570 8.575 905 HZ3 LYS 109 2HZ LYS 109 -15.811 -3.576 8.329 906 H SER 110 H SER 110 -12.259 -8.230 7.271 907 HA SER 110 HA SER 110 -11.712 -10.445 5.457 908 HB2 SER 110 2HB SER 110 -11.726 -11.826 7.535 909 HB3 SER 110 1HB SER 110 -10.592 -10.480 7.604 910 HG SER 110 HG SER 110 -11.632 -9.768 9.276 911 H ASN 111 H ASN 111 -13.821 -9.998 4.272 912 HA ASN 111 HA ASN 111 -15.871 -11.784 5.406 913 HB2 ASN 111 2HB ASN 111 -16.437 -9.035 4.264 914 HB3 ASN 111 1HB ASN 111 -17.674 -10.232 4.631 915 HD21 ASN 111 1HD2 ASN 111 -18.124 -10.706 6.797 916 HD22 ASN 111 2HD2 ASN 111 -17.620 -9.673 8.081 917 HA PRO 112 HA PRO 112 -14.595 -12.801 0.991 918 HB2 PRO 112 2HB PRO 112 -15.183 -15.526 2.040 919 HB3 PRO 112 1HB PRO 112 -13.808 -14.956 1.087 920 HG2 PRO 112 2HG PRO 112 -13.529 -15.468 3.685 921 HG3 PRO 112 1HG PRO 112 -12.716 -14.077 2.940 922 HD2 PRO 112 2HD PRO 112 -15.192 -14.142 4.633 923 HD3 PRO 112 1HD PRO 112 -13.850 -12.979 4.642 924 H TYR 113 H TYR 113 -16.968 -15.062 2.426 925 HA TYR 113 HA TYR 113 -18.750 -14.573 0.159 926 HB2 TYR 113 2HB TYR 113 -20.056 -16.515 1.178 927 HB3 TYR 113 1HB TYR 113 -18.444 -16.882 0.579 928 HD1 TYR 113 HD2 TYR 113 -20.442 -16.348 3.654 929 HD2 TYR 113 HD1 TYR 113 -16.730 -17.680 2.044 930 HE1 TYR 113 HE2 TYR 113 -19.838 -17.305 5.836 931 HE2 TYR 113 HE1 TYR 113 -16.122 -18.643 4.224 932 HH TYR 113 HH TYR 113 -18.334 -19.138 6.691 933 H LEU 114 H LEU 114 -18.314 -13.230 3.130 934 HA LEU 114 HA LEU 114 -21.093 -12.978 3.921 935 HB2 LEU 114 2HB LEU 114 -18.597 -11.711 5.056 936 HB3 LEU 114 1HB LEU 114 -20.193 -11.639 5.786 937 HG LEU 114 HG LEU 114 -18.608 -14.182 5.337 938 HD11 LEU 114 1HD1 LEU 114 -17.540 -12.797 7.019 939 HD12 LEU 114 2HD1 LEU 114 -18.306 -14.197 7.768 940 HD13 LEU 114 3HD1 LEU 114 -19.073 -12.610 7.872 941 HD21 LEU 114 3HD2 LEU 114 -21.179 -13.712 6.856 942 HD22 LEU 114 1HD2 LEU 114 -20.301 -15.238 6.737 943 HD23 LEU 114 2HD2 LEU 114 -21.034 -14.529 5.299 944 H GLU 115 H GLU 115 -18.675 -11.037 2.262 945 HA GLU 115 HA GLU 115 -19.856 -8.522 2.297 946 HB2 GLU 115 2HB GLU 115 -17.655 -8.901 1.363 947 HB3 GLU 115 1HB GLU 115 -18.312 -9.931 0.104 948 HG2 GLU 115 2HG GLU 115 -19.188 -7.074 0.255 949 HG3 GLU 115 1HG GLU 115 -17.597 -7.456 -0.393 950 H HIS 116 H HIS 116 -20.552 -11.271 0.187 951 HA HIS 116 HA HIS 116 -23.009 -9.918 -0.736 952 HB2 HIS 116 2HB HIS 116 -22.718 -11.149 -2.900 953 HB3 HIS 116 1HB HIS 116 -21.471 -9.949 -2.585 954 HD1 HIS 116 HD1 HIS 116 -19.073 -10.797 -2.215 955 HD2 HIS 116 HD2 HIS 116 -21.826 -13.826 -2.907 956 HE1 HIS 116 HE1 HIS 116 -17.712 -12.855 -2.641 957 HE2 HIS 116 HE2 HIS 116 -19.397 -14.705 -2.889 958 H HIS 117 H HIS 117 -23.271 -11.354 1.488 959 HA HIS 117 HA HIS 117 -23.764 -14.143 1.108 960 HB2 HIS 117 2HB HIS 117 -23.265 -12.977 3.309 961 HB3 HIS 117 1HB HIS 117 -24.921 -12.385 3.283 962 HD1 HIS 117 HD1 HIS 117 -26.673 -14.654 2.829 963 HD2 HIS 117 HD2 HIS 117 -23.096 -15.159 4.886 964 HE1 HIS 117 HE1 HIS 117 -26.957 -16.755 4.163 965 HE2 HIS 117 HE2 HIS 117 -24.789 -17.051 5.394 966 H HIS 118 H HIS 118 -25.710 -11.248 0.805 967 HA HIS 118 HA HIS 118 -27.621 -12.560 -0.833 968 HB2 HIS 118 2HB HIS 118 -29.642 -12.160 0.587 969 HB3 HIS 118 1HB HIS 118 -28.577 -13.415 1.205 970 HD1 HIS 118 HD1 HIS 118 -29.025 -13.272 3.660 971 HD2 HIS 118 HD2 HIS 118 -28.254 -9.547 1.992 972 HE1 HIS 118 HE1 HIS 118 -28.897 -11.685 5.594 973 HE2 HIS 118 HE2 HIS 118 -28.206 -9.500 4.572 974 H HIS 119 H HIS 119 -29.531 -11.017 -1.335 975 HA HIS 119 HA HIS 119 -28.424 -8.308 -1.607 976 HB2 HIS 119 2HB HIS 119 -30.762 -9.619 -3.023 977 HB3 HIS 119 1HB HIS 119 -30.146 -8.001 -3.352 978 HD1 HIS 119 HD1 HIS 119 -28.003 -7.806 -4.744 979 HD2 HIS 119 HD2 HIS 119 -29.115 -11.733 -3.964 980 HE1 HIS 119 HE1 HIS 119 -26.589 -9.217 -6.259 981 HE2 HIS 119 HE2 HIS 119 -27.162 -11.588 -5.652 982 H HIS 120 H HIS 120 -28.968 -6.988 0.022 983 HA HIS 120 HA HIS 120 -31.711 -6.376 0.578 984 HB2 HIS 120 2HB HIS 120 -31.459 -8.422 1.947 985 HB3 HIS 120 1HB HIS 120 -30.101 -7.687 2.789 986 HD1 HIS 120 HD1 HIS 120 -30.641 -5.887 4.564 987 HD2 HIS 120 HD2 HIS 120 -33.999 -7.488 2.716 988 HE1 HIS 120 HE1 HIS 120 -32.591 -5.119 5.936 989 HE2 HIS 120 HE2 HIS 120 -34.611 -5.925 4.682 990 H HIS 121 H HIS 121 -31.958 -4.399 1.657 991 HA HIS 121 HA HIS 121 -29.475 -2.890 2.105 992 HB2 HIS 121 2HB HIS 121 -32.342 -1.928 1.934 993 HB3 HIS 121 1HB HIS 121 -30.929 -0.891 2.114 994 HD1 HIS 121 HD1 HIS 121 -33.110 -1.289 -0.359 995 HD2 HIS 121 HD2 HIS 121 -29.057 -2.181 -0.249 996 HE1 HIS 121 HE1 HIS 121 -32.365 -1.299 -2.752 997 HE2 HIS 121 HE2 HIS 121 -29.875 -1.617 -2.635 Start of MODEL 17 1 H1 MET 1 1H MET 1 23.449 -11.996 9.785 2 H2 MET 1 2H MET 1 25.052 -11.568 9.461 3 H3 MET 1 3H MET 1 24.681 -13.141 9.955 4 HA MET 1 HA MET 1 25.118 -13.114 7.607 5 HB2 MET 1 2HB MET 1 22.199 -13.511 8.309 6 HB3 MET 1 1HB MET 1 22.942 -14.069 6.816 7 HG2 MET 1 2HG MET 1 23.656 -14.961 9.602 8 HG3 MET 1 1HG MET 1 22.734 -15.880 8.415 9 HE1 MET 1 3HE MET 1 24.279 -15.252 5.713 10 HE2 MET 1 1HE MET 1 23.787 -16.886 6.165 11 HE3 MET 1 2HE MET 1 25.446 -16.574 5.655 12 H LEU 2 H LEU 2 25.137 -12.025 5.728 13 HA LEU 2 HA LEU 2 23.006 -10.268 4.911 14 HB2 LEU 2 2HB LEU 2 24.321 -8.808 6.420 15 HB3 LEU 2 1HB LEU 2 25.751 -9.107 5.452 16 HG LEU 2 HG LEU 2 24.675 -7.980 3.526 17 HD11 LEU 2 1HD1 LEU 2 22.437 -7.436 5.481 18 HD12 LEU 2 2HD1 LEU 2 22.347 -8.421 4.019 19 HD13 LEU 2 3HD1 LEU 2 22.612 -6.683 3.897 20 HD21 LEU 2 3HD2 LEU 2 24.737 -6.330 6.058 21 HD22 LEU 2 1HD2 LEU 2 24.792 -5.696 4.413 22 HD23 LEU 2 2HD2 LEU 2 26.113 -6.693 5.017 23 H SER 3 H SER 3 22.995 -9.979 2.664 24 HA SER 3 HA SER 3 25.202 -11.304 1.198 25 HB2 SER 3 2HB SER 3 22.240 -11.552 0.598 26 HB3 SER 3 1HB SER 3 23.548 -12.310 -0.310 27 HG SER 3 HG SER 3 22.669 -12.853 2.324 28 H GLN 4 H GLN 4 25.921 -10.367 -0.643 29 HA GLN 4 HA GLN 4 24.494 -7.995 -1.665 30 HB2 GLN 4 2HB GLN 4 27.400 -8.801 -1.916 31 HB3 GLN 4 1HB GLN 4 26.685 -7.442 -2.774 32 HG2 GLN 4 2HG GLN 4 26.158 -6.368 -0.640 33 HG3 GLN 4 1HG GLN 4 26.862 -7.736 0.224 34 HE21 GLN 4 1HE2 GLN 4 28.385 -6.387 1.214 35 HE22 GLN 4 2HE2 GLN 4 29.740 -5.754 0.351 36 H ALA 5 H ALA 5 23.057 -8.910 -3.092 37 HA ALA 5 HA ALA 5 24.120 -9.858 -5.609 38 HB1 ALA 5 3HB ALA 5 22.329 -11.696 -4.011 39 HB2 ALA 5 1HB ALA 5 24.055 -11.937 -4.285 40 HB3 ALA 5 2HB ALA 5 22.933 -11.982 -5.644 41 H ASN 6 H ASN 6 22.734 -9.467 -7.308 42 HA ASN 6 HA ASN 6 20.762 -7.553 -7.108 43 HB2 ASN 6 2HB ASN 6 21.213 -9.659 -9.221 44 HB3 ASN 6 1HB ASN 6 19.984 -8.407 -9.388 45 HD21 ASN 6 1HD2 ASN 6 23.407 -9.047 -9.218 46 HD22 ASN 6 2HD2 ASN 6 23.912 -7.528 -9.867 47 H GLU 7 H GLU 7 20.242 -11.085 -7.299 48 HA GLU 7 HA GLU 7 17.434 -11.020 -7.239 49 HB2 GLU 7 2HB GLU 7 17.529 -13.366 -6.607 50 HB3 GLU 7 1HB GLU 7 18.733 -13.024 -7.843 51 HG2 GLU 7 2HG GLU 7 20.483 -12.969 -6.132 52 HG3 GLU 7 1HG GLU 7 19.276 -13.293 -4.887 53 H ASP 8 H ASP 8 19.780 -10.789 -4.645 54 HA ASP 8 HA ASP 8 17.923 -11.238 -2.516 55 HB2 ASP 8 2HB ASP 8 20.511 -11.439 -2.467 56 HB3 ASP 8 1HB ASP 8 20.501 -9.694 -2.219 57 H PHE 9 H PHE 9 19.337 -8.328 -4.008 58 HA PHE 9 HA PHE 9 18.066 -6.411 -2.400 59 HB2 PHE 9 2HB PHE 9 19.033 -6.271 -5.265 60 HB3 PHE 9 1HB PHE 9 18.374 -4.877 -4.415 61 HD1 PHE 9 HD1 PHE 9 19.508 -4.142 -2.261 62 HD2 PHE 9 HD2 PHE 9 21.294 -6.864 -5.010 63 HE1 PHE 9 HE1 PHE 9 21.716 -3.673 -1.288 64 HE2 PHE 9 HE2 PHE 9 23.505 -6.399 -4.037 65 HZ PHE 9 HZ PHE 9 23.718 -4.802 -2.172 66 H LYS 10 H LYS 10 16.954 -7.850 -5.498 67 HA LYS 10 HA LYS 10 14.498 -6.433 -5.514 68 HB2 LYS 10 2HB LYS 10 13.729 -7.963 -7.210 69 HB3 LYS 10 1HB LYS 10 15.397 -7.523 -7.535 70 HG2 LYS 10 2HG LYS 10 16.184 -9.652 -6.795 71 HG3 LYS 10 1HG LYS 10 14.588 -10.092 -6.184 72 HD2 LYS 10 2HD LYS 10 15.274 -9.577 -9.086 73 HD3 LYS 10 1HD LYS 10 15.072 -11.168 -8.347 74 HE2 LYS 10 2HE LYS 10 12.749 -10.707 -7.868 75 HE3 LYS 10 1HE LYS 10 12.923 -9.043 -8.424 76 HZ1 LYS 10 3HZ LYS 10 13.345 -9.854 -10.644 77 HZ2 LYS 10 1HZ LYS 10 11.870 -10.453 -10.077 78 HZ3 LYS 10 2HZ LYS 10 13.223 -11.460 -10.119 79 H LYS 11 H LYS 11 15.431 -9.542 -4.061 80 HA LYS 11 HA LYS 11 12.926 -10.308 -3.078 81 HB2 LYS 11 2HB LYS 11 14.689 -11.864 -2.812 82 HB3 LYS 11 1HB LYS 11 15.709 -10.698 -1.984 83 HG2 LYS 11 2HG LYS 11 13.146 -11.369 -0.650 84 HG3 LYS 11 1HG LYS 11 14.349 -12.652 -0.710 85 HD2 LYS 11 2HD LYS 11 14.762 -9.872 0.424 86 HD3 LYS 11 1HD LYS 11 14.553 -11.356 1.359 87 HE2 LYS 11 2HE LYS 11 16.618 -12.257 0.399 88 HE3 LYS 11 1HE LYS 11 16.817 -10.796 -0.565 89 HZ1 LYS 11 3HZ LYS 11 18.215 -10.639 1.335 90 HZ2 LYS 11 1HZ LYS 11 16.946 -11.012 2.391 91 HZ3 LYS 11 2HZ LYS 11 16.948 -9.545 1.556 92 H ILE 12 H ILE 12 15.285 -8.015 -1.702 93 HA ILE 12 HA ILE 12 13.913 -7.371 0.653 94 HB ILE 12 HB ILE 12 15.578 -5.520 -1.077 95 HG12 ILE 12 2HG1 ILE 12 16.376 -7.220 1.310 96 HG13 ILE 12 1HG1 ILE 12 16.753 -7.591 -0.367 97 HG21 ILE 12 1HG2 ILE 12 15.920 -4.213 0.974 98 HG22 ILE 12 2HG2 ILE 12 14.811 -5.278 1.838 99 HG23 ILE 12 3HG2 ILE 12 14.217 -4.271 0.519 100 HD11 ILE 12 3HD1 ILE 12 17.729 -5.199 1.179 101 HD12 ILE 12 1HD1 ILE 12 18.099 -5.553 -0.511 102 HD13 ILE 12 2HD1 ILE 12 18.663 -6.635 0.763 103 H VAL 13 H VAL 13 13.566 -6.034 -2.622 104 HA VAL 13 HA VAL 13 11.491 -4.195 -2.044 105 HB VAL 13 HB VAL 13 12.007 -5.652 -4.654 106 HG11 VAL 13 1HG1 VAL 13 10.527 -3.082 -4.081 107 HG12 VAL 13 2HG1 VAL 13 9.821 -4.606 -4.622 108 HG13 VAL 13 3HG1 VAL 13 10.901 -3.707 -5.687 109 HG21 VAL 13 3HG2 VAL 13 13.348 -3.713 -5.298 110 HG22 VAL 13 1HG2 VAL 13 14.016 -4.491 -3.861 111 HG23 VAL 13 2HG2 VAL 13 13.095 -2.994 -3.708 112 H ASN 14 H ASN 14 11.456 -7.629 -2.907 113 HA ASN 14 HA ASN 14 8.560 -7.792 -2.932 114 HB2 ASN 14 2HB ASN 14 10.714 -9.919 -3.053 115 HB3 ASN 14 1HB ASN 14 8.992 -10.267 -3.136 116 HD21 ASN 14 1HD2 ASN 14 10.457 -7.451 -4.640 117 HD22 ASN 14 2HD2 ASN 14 10.206 -7.972 -6.261 118 H ASN 15 H ASN 15 10.798 -7.527 -0.517 119 HA ASN 15 HA ASN 15 9.497 -9.311 1.414 120 HB2 ASN 15 2HB ASN 15 12.080 -8.981 1.051 121 HB3 ASN 15 1HB ASN 15 11.857 -7.529 2.014 122 HD21 ASN 15 1HD2 ASN 15 10.367 -10.726 2.293 123 HD22 ASN 15 2HD2 ASN 15 10.927 -11.022 3.902 124 H ILE 16 H ILE 16 8.742 -6.424 0.271 125 HA ILE 16 HA ILE 16 8.711 -4.779 2.633 126 HB ILE 16 HB ILE 16 7.495 -4.333 -0.099 127 HG12 ILE 16 2HG1 ILE 16 10.019 -3.220 1.176 128 HG13 ILE 16 1HG1 ILE 16 9.963 -4.451 -0.082 129 HG21 ILE 16 1HG2 ILE 16 7.301 -1.962 0.593 130 HG22 ILE 16 2HG2 ILE 16 7.768 -2.426 2.229 131 HG23 ILE 16 3HG2 ILE 16 6.268 -3.038 1.533 132 HD11 ILE 16 3HD1 ILE 16 8.959 -2.827 -1.613 133 HD12 ILE 16 1HD1 ILE 16 10.523 -2.286 -1.005 134 HD13 ILE 16 2HD1 ILE 16 9.038 -1.596 -0.351 135 H ARG 17 H ARG 17 7.241 -4.847 4.166 136 HA ARG 17 HA ARG 17 4.420 -5.453 3.510 137 HB2 ARG 17 2HB ARG 17 5.758 -7.225 4.859 138 HB3 ARG 17 1HB ARG 17 5.683 -6.075 6.182 139 HG2 ARG 17 2HG ARG 17 3.923 -7.629 6.504 140 HG3 ARG 17 1HG ARG 17 3.179 -6.123 5.964 141 HD2 ARG 17 2HD ARG 17 2.872 -6.979 3.752 142 HD3 ARG 17 1HD ARG 17 3.852 -8.405 4.101 143 HE ARG 17 HE ARG 17 1.180 -7.877 5.252 144 HH11 ARG 17 1HH1 ARG 17 3.664 -10.070 4.281 145 HH12 ARG 17 2HH1 ARG 17 2.676 -11.465 4.543 146 HH21 ARG 17 1HH2 ARG 17 -0.060 -9.668 5.600 147 HH22 ARG 17 2HH2 ARG 17 0.591 -11.239 5.304 148 H LEU 18 H LEU 18 2.893 -4.048 4.405 149 HA LEU 18 HA LEU 18 3.871 -1.481 5.208 150 HB2 LEU 18 2HB LEU 18 1.380 -0.946 5.402 151 HB3 LEU 18 1HB LEU 18 2.019 -1.363 3.829 152 HG LEU 18 HG LEU 18 1.055 -3.620 4.015 153 HD11 LEU 18 1HD1 LEU 18 -0.106 -2.663 6.631 154 HD12 LEU 18 2HD1 LEU 18 1.125 -3.912 6.433 155 HD13 LEU 18 3HD1 LEU 18 -0.503 -4.174 5.811 156 HD21 LEU 18 3HD2 LEU 18 -1.326 -2.957 3.884 157 HD22 LEU 18 1HD2 LEU 18 -0.268 -1.903 2.946 158 HD23 LEU 18 2HD2 LEU 18 -0.893 -1.365 4.505 159 H LYS 19 H LYS 19 4.550 -3.434 7.184 160 HA LYS 19 HA LYS 19 3.440 -2.123 9.524 161 HB2 LYS 19 2HB LYS 19 1.952 -4.091 9.047 162 HB3 LYS 19 1HB LYS 19 3.341 -5.142 9.282 163 HG2 LYS 19 2HG LYS 19 3.545 -4.385 11.588 164 HG3 LYS 19 1HG LYS 19 2.186 -3.283 11.357 165 HD2 LYS 19 2HD LYS 19 0.730 -5.228 10.881 166 HD3 LYS 19 1HD LYS 19 2.097 -6.302 11.194 167 HE2 LYS 19 2HE LYS 19 0.883 -4.373 13.181 168 HE3 LYS 19 1HE LYS 19 0.607 -6.113 13.142 169 HZ1 LYS 19 3HZ LYS 19 2.922 -6.488 13.605 170 HZ2 LYS 19 1HZ LYS 19 2.283 -5.453 14.780 171 HZ3 LYS 19 2HZ LYS 19 3.257 -4.831 13.545 172 H ASP 20 H ASP 20 5.626 -4.622 8.281 173 HA ASP 20 HA ASP 20 7.533 -4.164 10.439 174 HB2 ASP 20 2HB ASP 20 7.168 -6.465 9.740 175 HB3 ASP 20 1HB ASP 20 7.572 -6.060 8.075 176 H THR 21 H THR 21 7.271 -3.683 6.943 177 HA THR 21 HA THR 21 9.989 -2.736 6.662 178 HB THR 21 HB THR 21 7.719 -2.729 4.661 179 HG1 THR 21 HG1 THR 21 9.329 -4.713 5.619 180 HG21 THR 21 3HG2 THR 21 9.520 -2.562 2.977 181 HG22 THR 21 1HG2 THR 21 10.695 -2.365 4.278 182 HG23 THR 21 2HG2 THR 21 9.447 -1.146 4.024 183 H PHE 22 H PHE 22 6.748 -1.287 6.593 184 HA PHE 22 HA PHE 22 7.799 1.272 7.369 185 HB2 PHE 22 2HB PHE 22 7.156 2.553 5.442 186 HB3 PHE 22 1HB PHE 22 8.164 1.230 4.868 187 HD1 PHE 22 HD1 PHE 22 7.027 -0.798 3.838 188 HD2 PHE 22 HD2 PHE 22 4.971 2.853 4.624 189 HE1 PHE 22 HE1 PHE 22 5.259 -1.451 2.256 190 HE2 PHE 22 HE2 PHE 22 3.205 2.197 3.044 191 HZ PHE 22 HZ PHE 22 3.347 0.044 1.857 192 H ASP 23 H ASP 23 6.230 2.584 8.281 193 HA ASP 23 HA ASP 23 3.468 1.543 8.295 194 HB2 ASP 23 2HB ASP 23 4.568 1.779 10.514 195 HB3 ASP 23 1HB ASP 23 4.793 3.497 10.207 196 H PHE 24 H PHE 24 2.181 2.546 6.838 197 HA PHE 24 HA PHE 24 2.897 5.211 5.898 198 HB2 PHE 24 2HB PHE 24 1.367 4.866 4.081 199 HB3 PHE 24 1HB PHE 24 2.325 3.404 4.274 200 HD1 PHE 24 HD1 PHE 24 1.259 1.428 5.499 201 HD2 PHE 24 HD2 PHE 24 -0.975 4.782 4.115 202 HE1 PHE 24 HE1 PHE 24 -0.806 0.096 5.603 203 HE2 PHE 24 HE2 PHE 24 -3.043 3.450 4.220 204 HZ PHE 24 HZ PHE 24 -2.958 1.105 4.966 205 H LYS 25 H LYS 25 1.859 7.038 6.383 206 HA LYS 25 HA LYS 25 -0.526 6.860 8.109 207 HB2 LYS 25 2HB LYS 25 1.498 7.782 9.179 208 HB3 LYS 25 1HB LYS 25 1.570 9.043 7.955 209 HG2 LYS 25 2HG LYS 25 -0.460 10.028 8.752 210 HG3 LYS 25 1HG LYS 25 -0.756 8.669 9.839 211 HD2 LYS 25 2HD LYS 25 1.550 10.621 10.022 212 HD3 LYS 25 1HD LYS 25 0.119 10.608 11.055 213 HE2 LYS 25 2HE LYS 25 2.177 8.402 10.842 214 HE3 LYS 25 1HE LYS 25 2.024 9.551 12.172 215 HZ1 LYS 25 3HZ LYS 25 -0.100 7.632 11.377 216 HZ2 LYS 25 1HZ LYS 25 -0.095 8.633 12.738 217 HZ3 LYS 25 2HZ LYS 25 1.010 7.358 12.620 218 H LEU 26 H LEU 26 -2.364 7.825 7.494 219 HA LEU 26 HA LEU 26 -2.544 8.913 4.824 220 HB2 LEU 26 2HB LEU 26 -4.679 8.570 6.945 221 HB3 LEU 26 1HB LEU 26 -4.975 9.026 5.280 222 HG LEU 26 HG LEU 26 -5.548 6.734 5.466 223 HD11 LEU 26 1HD1 LEU 26 -2.803 6.844 4.226 224 HD12 LEU 26 2HD1 LEU 26 -4.309 7.308 3.438 225 HD13 LEU 26 3HD1 LEU 26 -4.047 5.632 3.915 226 HD21 LEU 26 3HD2 LEU 26 -2.851 6.226 6.726 227 HD22 LEU 26 1HD2 LEU 26 -4.065 5.006 6.337 228 HD23 LEU 26 2HD2 LEU 26 -4.404 6.226 7.564 229 H ALA 27 H ALA 27 -2.677 11.034 4.253 230 HA ALA 27 HA ALA 27 -2.025 13.100 6.022 231 HB1 ALA 27 3HB ALA 27 -2.528 14.625 4.204 232 HB2 ALA 27 1HB ALA 27 -3.421 13.360 3.358 233 HB3 ALA 27 2HB ALA 27 -1.679 13.207 3.589 234 H ALA 28 H ALA 28 -5.192 11.916 5.003 235 HA ALA 28 HA ALA 28 -6.590 14.036 6.436 236 HB1 ALA 28 3HB ALA 28 -7.475 13.264 4.295 237 HB2 ALA 28 1HB ALA 28 -8.628 12.973 5.597 238 HB3 ALA 28 2HB ALA 28 -7.670 11.640 4.951 239 H PHE 29 H PHE 29 -5.306 10.981 7.169 240 HA PHE 29 HA PHE 29 -6.854 10.852 9.670 241 HB2 PHE 29 2HB PHE 29 -6.217 8.428 7.960 242 HB3 PHE 29 1HB PHE 29 -7.081 8.429 9.492 243 HD1 PHE 29 HD1 PHE 29 -9.364 9.444 9.618 244 HD2 PHE 29 HD2 PHE 29 -7.326 8.888 5.915 245 HE1 PHE 29 HE1 PHE 29 -11.492 9.689 8.411 246 HE2 PHE 29 HE2 PHE 29 -9.454 9.137 4.705 247 HZ PHE 29 HZ PHE 29 -11.540 9.536 5.953 248 HA PRO 30 HA PRO 30 -2.258 10.774 10.254 249 HB2 PRO 30 2HB PRO 30 -2.189 12.288 12.506 250 HB3 PRO 30 1HB PRO 30 -2.316 12.982 10.885 251 HG2 PRO 30 2HG PRO 30 -4.491 12.452 12.887 252 HG3 PRO 30 1HG PRO 30 -4.210 13.903 11.904 253 HD2 PRO 30 2HD PRO 30 -6.042 12.040 11.216 254 HD3 PRO 30 1HD PRO 30 -5.116 12.942 9.999 255 H ASN 31 H ASN 31 -4.813 9.700 12.365 256 HA ASN 31 HA ASN 31 -2.831 8.166 13.945 257 HB2 ASN 31 2HB ASN 31 -5.519 9.200 14.874 258 HB3 ASN 31 1HB ASN 31 -4.414 8.224 15.834 259 HD21 ASN 31 1HD2 ASN 31 -2.043 9.642 14.768 260 HD22 ASN 31 2HD2 ASN 31 -2.042 11.170 15.573 261 H GLN 32 H GLN 32 -4.866 7.677 11.510 262 HA GLN 32 HA GLN 32 -6.194 5.294 12.579 263 HB2 GLN 32 2HB GLN 32 -6.485 6.808 9.987 264 HB3 GLN 32 1HB GLN 32 -7.239 5.240 10.246 265 HG2 GLN 32 2HG GLN 32 -7.699 7.673 11.965 266 HG3 GLN 32 1HG GLN 32 -8.760 7.140 10.660 267 HE21 GLN 32 1HE2 GLN 32 -9.233 7.411 13.562 268 HE22 GLN 32 2HE2 GLN 32 -9.804 5.865 14.076 269 H ASN 33 H ASN 33 -6.113 3.268 11.428 270 HA ASN 33 HA ASN 33 -3.508 2.797 10.113 271 HB2 ASN 33 2HB ASN 33 -4.871 0.963 12.104 272 HB3 ASN 33 1HB ASN 33 -3.313 0.690 11.330 273 HD21 ASN 33 1HD2 ASN 33 -5.037 2.537 13.717 274 HD22 ASN 33 2HD2 ASN 33 -3.642 3.153 14.525 275 H TYR 34 H TYR 34 -3.405 0.903 8.771 276 HA TYR 34 HA TYR 34 -5.292 0.705 6.793 277 HB2 TYR 34 2HB TYR 34 -4.176 -1.628 6.385 278 HB3 TYR 34 1HB TYR 34 -3.210 -0.164 6.244 279 HD1 TYR 34 HD1 TYR 34 -3.923 -3.093 8.395 280 HD2 TYR 34 HD2 TYR 34 -1.419 0.292 7.760 281 HE1 TYR 34 HE1 TYR 34 -2.347 -3.945 10.082 282 HE2 TYR 34 HE2 TYR 34 0.156 -0.550 9.442 283 HH TYR 34 HH TYR 34 0.143 -2.026 11.389 284 H ASP 35 H ASP 35 -5.146 -1.296 9.720 285 HA ASP 35 HA ASP 35 -7.130 -3.167 8.826 286 HB2 ASP 35 2HB ASP 35 -7.034 -3.986 11.192 287 HB3 ASP 35 1HB ASP 35 -5.465 -3.908 10.395 288 H GLN 36 H GLN 36 -7.428 -0.015 9.995 289 HA GLN 36 HA GLN 36 -10.214 -0.514 10.861 290 HB2 GLN 36 2HB GLN 36 -8.346 1.635 11.891 291 HB3 GLN 36 1HB GLN 36 -10.010 1.382 12.406 292 HG2 GLN 36 2HG GLN 36 -7.721 -0.547 12.787 293 HG3 GLN 36 1HG GLN 36 -8.429 0.487 14.027 294 HE21 GLN 36 1HE2 GLN 36 -8.197 -2.457 13.801 295 HE22 GLN 36 2HE2 GLN 36 -9.809 -3.053 13.993 296 H LEU 37 H LEU 37 -8.220 1.106 8.641 297 HA LEU 37 HA LEU 37 -10.235 3.170 8.073 298 HB2 LEU 37 2HB LEU 37 -7.591 3.466 8.307 299 HB3 LEU 37 1HB LEU 37 -7.628 3.024 6.612 300 HG LEU 37 HG LEU 37 -7.582 5.476 6.991 301 HD11 LEU 37 1HD1 LEU 37 -10.128 4.496 5.708 302 HD12 LEU 37 2HD1 LEU 37 -8.547 4.585 4.934 303 HD13 LEU 37 3HD1 LEU 37 -9.361 6.062 5.444 304 HD21 LEU 37 3HD2 LEU 37 -10.332 5.069 8.172 305 HD22 LEU 37 1HD2 LEU 37 -9.547 6.616 7.862 306 HD23 LEU 37 2HD2 LEU 37 -8.884 5.519 9.072 307 H LEU 38 H LEU 38 -11.722 2.707 6.577 308 HA LEU 38 HA LEU 38 -11.686 0.313 5.095 309 HB2 LEU 38 2HB LEU 38 -13.461 2.737 4.810 310 HB3 LEU 38 1HB LEU 38 -13.752 1.197 4.024 311 HG LEU 38 HG LEU 38 -13.759 1.712 7.006 312 HD11 LEU 38 1HD1 LEU 38 -16.130 1.187 6.878 313 HD12 LEU 38 2HD1 LEU 38 -16.005 0.956 5.133 314 HD13 LEU 38 3HD1 LEU 38 -15.744 2.554 5.835 315 HD21 LEU 38 3HD2 LEU 38 -12.844 -0.499 6.520 316 HD22 LEU 38 1HD2 LEU 38 -14.234 -0.865 5.501 317 HD23 LEU 38 2HD2 LEU 38 -14.449 -0.627 7.236 318 HA PRO 39 HA PRO 39 -9.359 0.862 1.407 319 HB2 PRO 39 2HB PRO 39 -11.868 -0.122 0.081 320 HB3 PRO 39 1HB PRO 39 -10.191 -0.631 -0.168 321 HG2 PRO 39 2HG PRO 39 -11.831 -2.105 1.319 322 HG3 PRO 39 1HG PRO 39 -10.139 -1.878 1.799 323 HD2 PRO 39 2HD PRO 39 -12.610 -0.695 2.960 324 HD3 PRO 39 1HD PRO 39 -11.069 -1.090 3.744 325 H SER 40 H SER 40 -12.773 1.857 0.997 326 HA SER 40 HA SER 40 -12.434 3.548 -1.187 327 HB2 SER 40 2HB SER 40 -14.428 3.773 1.085 328 HB3 SER 40 1HB SER 40 -14.540 4.662 -0.433 329 HG SER 40 HG SER 40 -15.348 2.955 -1.332 330 H GLN 41 H GLN 41 -12.263 4.369 2.276 331 HA GLN 41 HA GLN 41 -11.790 7.143 1.873 332 HB2 GLN 41 2HB GLN 41 -11.275 5.334 4.240 333 HB3 GLN 41 1HB GLN 41 -11.051 7.078 4.287 334 HG2 GLN 41 2HG GLN 41 -13.666 5.726 3.618 335 HG3 GLN 41 1HG GLN 41 -13.215 6.276 5.231 336 HE21 GLN 41 1HE2 GLN 41 -13.165 8.467 5.670 337 HE22 GLN 41 2HE2 GLN 41 -13.858 9.644 4.610 338 H ILE 42 H ILE 42 -9.607 4.378 2.339 339 HA ILE 42 HA ILE 42 -7.171 5.782 2.443 340 HB ILE 42 HB ILE 42 -7.654 3.043 1.230 341 HG12 ILE 42 2HG1 ILE 42 -6.883 3.829 4.057 342 HG13 ILE 42 1HG1 ILE 42 -8.442 3.183 3.556 343 HG21 ILE 42 1HG2 ILE 42 -5.495 3.975 0.571 344 HG22 ILE 42 2HG2 ILE 42 -5.276 2.640 1.701 345 HG23 ILE 42 3HG2 ILE 42 -5.105 4.304 2.260 346 HD11 ILE 42 3HD1 ILE 42 -7.058 1.489 4.621 347 HD12 ILE 42 1HD1 ILE 42 -5.810 1.726 3.398 348 HD13 ILE 42 2HD1 ILE 42 -7.387 1.081 2.938 349 H TYR 43 H TYR 43 -8.872 4.385 -0.349 350 HA TYR 43 HA TYR 43 -7.068 5.121 -2.359 351 HB2 TYR 43 2HB TYR 43 -8.978 3.514 -2.584 352 HB3 TYR 43 1HB TYR 43 -10.082 4.880 -2.603 353 HD1 TYR 43 HD2 TYR 43 -10.208 6.353 -4.582 354 HD2 TYR 43 HD1 TYR 43 -7.604 2.976 -4.525 355 HE1 TYR 43 HE2 TYR 43 -9.969 6.495 -7.025 356 HE2 TYR 43 HE1 TYR 43 -7.367 3.116 -6.967 357 HH TYR 43 HH TYR 43 -8.784 4.034 -8.898 358 H LYS 44 H LYS 44 -9.925 6.867 -1.120 359 HA LYS 44 HA LYS 44 -9.581 9.100 -2.878 360 HB2 LYS 44 2HB LYS 44 -11.261 8.735 -0.390 361 HB3 LYS 44 1HB LYS 44 -11.314 10.177 -1.401 362 HG2 LYS 44 2HG LYS 44 -12.034 8.843 -3.309 363 HG3 LYS 44 1HG LYS 44 -11.938 7.375 -2.337 364 HD2 LYS 44 2HD LYS 44 -13.768 9.712 -1.757 365 HD3 LYS 44 1HD LYS 44 -14.252 8.243 -2.605 366 HE2 LYS 44 2HE LYS 44 -13.556 6.948 -0.571 367 HE3 LYS 44 1HE LYS 44 -13.323 8.487 0.258 368 HZ1 LYS 44 3HZ LYS 44 -15.480 7.593 0.758 369 HZ2 LYS 44 1HZ LYS 44 -15.870 7.467 -0.882 370 HZ3 LYS 44 2HZ LYS 44 -15.669 8.988 -0.176 371 H ASN 45 H ASN 45 -8.283 8.305 0.262 372 HA ASN 45 HA ASN 45 -7.506 10.862 1.138 373 HB2 ASN 45 2HB ASN 45 -7.351 8.989 2.645 374 HB3 ASN 45 1HB ASN 45 -6.228 8.154 1.580 375 HD21 ASN 45 1HD2 ASN 45 -4.087 8.835 1.492 376 HD22 ASN 45 2HD2 ASN 45 -3.400 9.873 2.684 377 H TYR 46 H TYR 46 -6.182 8.804 -1.340 378 HA TYR 46 HA TYR 46 -3.624 9.802 -1.686 379 HB2 TYR 46 2HB TYR 46 -4.504 7.894 -2.934 380 HB3 TYR 46 1HB TYR 46 -5.609 8.948 -3.807 381 HD1 TYR 46 HD1 TYR 46 -1.938 9.146 -3.049 382 HD2 TYR 46 HD2 TYR 46 -4.980 9.079 -6.032 383 HE1 TYR 46 HE1 TYR 46 -0.229 9.455 -4.791 384 HE2 TYR 46 HE2 TYR 46 -3.279 9.391 -7.780 385 HH TYR 46 HH TYR 46 0.056 9.037 -7.197 386 H TYR 47 H TYR 47 -6.670 11.345 -2.418 387 HA TYR 47 HA TYR 47 -5.849 13.359 -4.178 388 HB2 TYR 47 2HB TYR 47 -8.206 12.834 -3.578 389 HB3 TYR 47 1HB TYR 47 -7.944 13.561 -1.999 390 HD1 TYR 47 HD1 TYR 47 -7.219 14.576 -5.538 391 HD2 TYR 47 HD2 TYR 47 -8.987 15.630 -1.806 392 HE1 TYR 47 HE1 TYR 47 -7.902 16.742 -6.477 393 HE2 TYR 47 HE2 TYR 47 -9.668 17.802 -2.740 394 HH TYR 47 HH TYR 47 -9.506 18.488 -6.109 395 H GLN 48 H GLN 48 -5.473 13.102 -0.689 396 HA GLN 48 HA GLN 48 -4.176 15.734 -0.555 397 HB2 GLN 48 2HB GLN 48 -4.822 13.729 1.621 398 HB3 GLN 48 1HB GLN 48 -4.038 15.278 1.894 399 HG2 GLN 48 2HG GLN 48 -6.051 16.411 1.003 400 HG3 GLN 48 1HG GLN 48 -6.830 14.837 0.846 401 HE21 GLN 48 1HE2 GLN 48 -8.460 15.364 2.287 402 HE22 GLN 48 2HE2 GLN 48 -8.188 15.508 3.986 403 H GLY 49 H GLY 49 -3.426 12.358 0.395 404 HA2 GLY 49 2HA GLY 49 -1.195 11.718 -0.806 405 HA3 GLY 49 1HA GLY 49 -0.555 12.992 0.216 406 H ILE 50 H ILE 50 0.660 10.703 0.528 407 HA ILE 50 HA ILE 50 -0.245 9.737 3.155 408 HB ILE 50 HB ILE 50 0.647 7.906 0.904 409 HG12 ILE 50 2HG1 ILE 50 -2.028 8.121 2.321 410 HG13 ILE 50 1HG1 ILE 50 -1.693 8.646 0.674 411 HG21 ILE 50 1HG2 ILE 50 1.535 7.145 3.036 412 HG22 ILE 50 2HG2 ILE 50 0.249 6.068 2.494 413 HG23 ILE 50 3HG2 ILE 50 -0.069 7.248 3.766 414 HD11 ILE 50 3HD1 ILE 50 -1.236 6.333 0.034 415 HD12 ILE 50 1HD1 ILE 50 -2.858 6.522 0.702 416 HD13 ILE 50 2HD1 ILE 50 -1.578 5.810 1.683 417 H GLU 51 H GLU 51 1.390 9.666 4.610 418 HA GLU 51 HA GLU 51 4.123 10.139 3.654 419 HB2 GLU 51 2HB GLU 51 2.882 10.374 6.402 420 HB3 GLU 51 1HB GLU 51 4.601 10.586 6.092 421 HG2 GLU 51 2HG GLU 51 4.043 12.435 4.534 422 HG3 GLU 51 1HG GLU 51 2.349 12.263 4.991 423 H ILE 52 H ILE 52 5.775 8.724 3.914 424 HA ILE 52 HA ILE 52 5.059 6.032 4.877 425 HB ILE 52 HB ILE 52 7.300 6.869 3.019 426 HG12 ILE 52 2HG1 ILE 52 5.106 7.157 1.971 427 HG13 ILE 52 1HG1 ILE 52 5.952 5.794 1.247 428 HG21 ILE 52 1HG2 ILE 52 7.553 4.452 2.583 429 HG22 ILE 52 2HG2 ILE 52 6.360 4.116 3.838 430 HG23 ILE 52 3HG2 ILE 52 7.897 4.871 4.261 431 HD11 ILE 52 3HD1 ILE 52 4.596 4.254 2.575 432 HD12 ILE 52 1HD1 ILE 52 3.599 5.308 1.572 433 HD13 ILE 52 2HD1 ILE 52 3.754 5.625 3.300 434 H GLN 53 H GLN 53 5.762 5.598 6.892 435 HA GLN 53 HA GLN 53 8.268 6.667 7.902 436 HB2 GLN 53 2HB GLN 53 6.326 6.338 9.402 437 HB3 GLN 53 1HB GLN 53 6.391 4.608 9.099 438 HG2 GLN 53 2HG GLN 53 8.600 4.497 10.138 439 HG3 GLN 53 1HG GLN 53 8.557 6.235 10.426 440 HE21 GLN 53 1HE2 GLN 53 8.783 4.044 12.329 441 HE22 GLN 53 2HE2 GLN 53 7.462 4.221 13.427 442 H GLN 54 H GLN 54 9.926 5.851 6.699 443 HA GLN 54 HA GLN 54 9.907 3.173 5.651 444 HB2 GLN 54 2HB GLN 54 12.066 5.294 5.556 445 HB3 GLN 54 1HB GLN 54 12.005 3.840 4.570 446 HG2 GLN 54 2HG GLN 54 9.973 4.622 3.489 447 HG3 GLN 54 1HG GLN 54 9.959 6.054 4.514 448 HE21 GLN 54 1HE2 GLN 54 10.039 5.860 1.607 449 HE22 GLN 54 2HE2 GLN 54 11.469 6.695 1.108 450 H HIS 55 H HIS 55 11.601 1.573 5.958 451 HA HIS 55 HA HIS 55 13.270 1.815 8.336 452 HB2 HIS 55 2HB HIS 55 11.208 0.999 9.290 453 HB3 HIS 55 1HB HIS 55 11.105 -0.282 8.090 454 HD1 HIS 55 HD1 HIS 55 13.367 0.774 10.965 455 HD2 HIS 55 HD2 HIS 55 12.215 -2.647 8.902 456 HE1 HIS 55 HE1 HIS 55 14.426 -1.139 12.188 457 HE2 HIS 55 HE2 HIS 55 13.578 -3.195 11.029 458 H LYS 56 H LYS 56 12.298 -0.316 5.614 459 HA LYS 56 HA LYS 56 14.616 -2.017 6.056 460 HB2 LYS 56 2HB LYS 56 12.248 -2.143 4.262 461 HB3 LYS 56 1HB LYS 56 13.692 -3.005 3.761 462 HG2 LYS 56 2HG LYS 56 13.629 -4.115 6.066 463 HG3 LYS 56 1HG LYS 56 11.986 -3.469 6.189 464 HD2 LYS 56 2HD LYS 56 11.427 -4.591 4.045 465 HD3 LYS 56 1HD LYS 56 13.050 -5.282 4.013 466 HE2 LYS 56 2HE LYS 56 10.982 -5.779 6.166 467 HE3 LYS 56 1HE LYS 56 11.340 -6.871 4.830 468 HZ1 LYS 56 3HZ LYS 56 13.154 -6.103 7.045 469 HZ2 LYS 56 1HZ LYS 56 13.650 -6.984 5.686 470 HZ3 LYS 56 2HZ LYS 56 12.496 -7.630 6.738 471 H TYR 57 H TYR 57 16.551 -1.404 5.380 472 HA TYR 57 HA TYR 57 18.257 -0.825 3.981 473 HB2 TYR 57 2HB TYR 57 16.431 -2.516 2.283 474 HB3 TYR 57 1HB TYR 57 18.040 -2.034 1.735 475 HD1 TYR 57 HD2 TYR 57 16.304 -3.691 4.578 476 HD2 TYR 57 HD1 TYR 57 19.892 -3.372 2.316 477 HE1 TYR 57 HE2 TYR 57 17.248 -5.588 5.829 478 HE2 TYR 57 HE1 TYR 57 20.853 -5.264 3.561 479 HH TYR 57 HH TYR 57 19.003 -7.318 5.519 480 H GLN 58 H GLN 58 16.372 1.343 4.068 481 HA GLN 58 HA GLN 58 15.728 2.258 1.450 482 HB2 GLN 58 2HB GLN 58 15.770 3.637 4.132 483 HB3 GLN 58 1HB GLN 58 15.235 4.437 2.658 484 HG2 GLN 58 2HG GLN 58 14.022 1.957 3.878 485 HG3 GLN 58 1HG GLN 58 13.356 3.586 3.964 486 HE21 GLN 58 1HE2 GLN 58 13.915 0.827 1.932 487 HE22 GLN 58 2HE2 GLN 58 12.876 1.320 0.646 488 H ASN 59 H ASN 59 18.696 1.881 2.555 489 HA ASN 59 HA ASN 59 19.987 4.304 1.724 490 HB2 ASN 59 2HB ASN 59 21.184 1.524 1.897 491 HB3 ASN 59 1HB ASN 59 22.038 3.061 1.992 492 HD21 ASN 59 1HD2 ASN 59 21.966 4.232 3.905 493 HD22 ASN 59 2HD2 ASN 59 21.384 3.557 5.382 494 H GLU 60 H GLU 60 18.920 1.367 0.188 495 HA GLU 60 HA GLU 60 20.267 2.041 -2.341 496 HB2 GLU 60 2HB GLU 60 20.637 -0.217 -1.506 497 HB3 GLU 60 1HB GLU 60 18.907 -0.499 -1.398 498 HG2 GLU 60 2HG GLU 60 19.871 -1.619 -3.331 499 HG3 GLU 60 1HG GLU 60 18.715 -0.384 -3.822 500 H LEU 61 H LEU 61 17.049 1.301 -1.014 501 HA LEU 61 HA LEU 61 15.841 2.379 -3.485 502 HB2 LEU 61 2HB LEU 61 13.933 0.869 -3.146 503 HB3 LEU 61 1HB LEU 61 15.431 -0.000 -3.403 504 HG LEU 61 HG LEU 61 14.421 0.454 -0.598 505 HD11 LEU 61 1HD1 LEU 61 13.595 -1.802 -2.430 506 HD12 LEU 61 2HD1 LEU 61 12.545 -0.517 -1.836 507 HD13 LEU 61 3HD1 LEU 61 13.235 -1.681 -0.705 508 HD21 LEU 61 3HD2 LEU 61 16.690 -0.413 -0.862 509 HD22 LEU 61 1HD2 LEU 61 16.087 -1.721 -1.879 510 HD23 LEU 61 2HD2 LEU 61 15.633 -1.642 -0.176 511 H ASP 62 H ASP 62 13.948 3.612 -3.292 512 HA ASP 62 HA ASP 62 13.311 4.585 -0.576 513 HB2 ASP 62 2HB ASP 62 14.072 6.373 -1.996 514 HB3 ASP 62 1HB ASP 62 12.988 5.883 -3.293 515 H ILE 63 H ILE 63 11.211 4.522 0.178 516 HA ILE 63 HA ILE 63 9.275 3.047 -1.502 517 HB ILE 63 HB ILE 63 9.455 3.232 1.513 518 HG12 ILE 63 2HG1 ILE 63 9.868 0.885 -0.366 519 HG13 ILE 63 1HG1 ILE 63 11.149 1.770 0.457 520 HG21 ILE 63 1HG2 ILE 63 7.452 1.731 -0.184 521 HG22 ILE 63 2HG2 ILE 63 7.116 3.143 0.817 522 HG23 ILE 63 3HG2 ILE 63 7.598 1.625 1.571 523 HD11 ILE 63 3HD1 ILE 63 8.985 0.159 1.796 524 HD12 ILE 63 1HD1 ILE 63 10.287 1.029 2.610 525 HD13 ILE 63 2HD1 ILE 63 10.660 -0.337 1.560 526 H LYS 64 H LYS 64 7.832 4.376 -2.420 527 HA LYS 64 HA LYS 64 6.135 5.947 -0.612 528 HB2 LYS 64 2HB LYS 64 7.290 6.970 -3.213 529 HB3 LYS 64 1HB LYS 64 5.842 7.661 -2.496 530 HG2 LYS 64 2HG LYS 64 7.236 8.060 -0.408 531 HG3 LYS 64 1HG LYS 64 8.644 7.665 -1.395 532 HD2 LYS 64 2HD LYS 64 6.652 9.832 -2.083 533 HD3 LYS 64 1HD LYS 64 8.148 10.118 -1.195 534 HE2 LYS 64 2HE LYS 64 8.004 8.919 -3.965 535 HE3 LYS 64 1HE LYS 64 8.308 10.623 -3.629 536 HZ1 LYS 64 3HZ LYS 64 10.285 9.929 -2.353 537 HZ2 LYS 64 1HZ LYS 64 10.377 9.498 -3.986 538 HZ3 LYS 64 2HZ LYS 64 10.010 8.332 -2.825 539 H ILE 65 H ILE 65 3.932 6.007 -1.191 540 HA ILE 65 HA ILE 65 3.151 3.849 -3.039 541 HB ILE 65 HB ILE 65 1.524 5.204 -0.871 542 HG12 ILE 65 2HG1 ILE 65 2.831 2.467 -0.900 543 HG13 ILE 65 1HG1 ILE 65 3.412 3.856 0.012 544 HG21 ILE 65 1HG2 ILE 65 0.907 2.769 -2.553 545 HG22 ILE 65 2HG2 ILE 65 0.107 4.337 -2.654 546 HG23 ILE 65 3HG2 ILE 65 -0.066 3.351 -1.202 547 HD11 ILE 65 3HD1 ILE 65 2.204 2.311 1.436 548 HD12 ILE 65 1HD1 ILE 65 0.776 2.451 0.411 549 HD13 ILE 65 2HD1 ILE 65 1.348 3.849 1.324 550 H ILE 66 H ILE 66 1.715 4.152 -4.724 551 HA ILE 66 HA ILE 66 0.981 6.943 -5.343 552 HB ILE 66 HB ILE 66 1.116 4.639 -7.301 553 HG12 ILE 66 2HG1 ILE 66 3.174 6.808 -6.772 554 HG13 ILE 66 1HG1 ILE 66 3.353 5.110 -6.351 555 HG21 ILE 66 1HG2 ILE 66 -0.352 6.460 -7.995 556 HG22 ILE 66 2HG2 ILE 66 1.098 6.419 -8.998 557 HG23 ILE 66 3HG2 ILE 66 0.941 7.630 -7.723 558 HD11 ILE 66 3HD1 ILE 66 3.112 6.219 -9.140 559 HD12 ILE 66 1HD1 ILE 66 3.288 4.514 -8.719 560 HD13 ILE 66 2HD1 ILE 66 4.589 5.651 -8.364 561 H ASN 67 H ASN 67 -0.465 3.969 -6.708 562 HA ASN 67 HA ASN 67 -3.078 4.869 -5.645 563 HB2 ASN 67 2HB ASN 67 -2.434 3.469 -8.248 564 HB3 ASN 67 1HB ASN 67 -4.071 3.639 -7.622 565 HD21 ASN 67 1HD2 ASN 67 -1.417 5.238 -9.132 566 HD22 ASN 67 2HD2 ASN 67 -2.232 6.733 -9.434 567 H PHE 68 H PHE 68 -4.747 2.951 -5.781 568 HA PHE 68 HA PHE 68 -3.538 0.513 -4.627 569 HB2 PHE 68 2HB PHE 68 -6.093 1.866 -3.704 570 HB3 PHE 68 1HB PHE 68 -5.417 0.378 -3.048 571 HD1 PHE 68 HD2 PHE 68 -3.382 0.432 -1.676 572 HD2 PHE 68 HD1 PHE 68 -5.188 4.020 -3.111 573 HE1 PHE 68 HE2 PHE 68 -2.062 1.740 -0.066 574 HE2 PHE 68 HE1 PHE 68 -3.863 5.330 -1.503 575 HZ PHE 68 HZ PHE 68 -2.303 4.190 0.020 576 H LEU 69 H LEU 69 -4.159 -1.335 -5.601 577 HA LEU 69 HA LEU 69 -6.434 -1.225 -7.485 578 HB2 LEU 69 2HB LEU 69 -3.947 -2.948 -7.520 579 HB3 LEU 69 1HB LEU 69 -5.307 -3.183 -8.600 580 HG LEU 69 HG LEU 69 -4.911 -0.827 -9.453 581 HD11 LEU 69 1HD1 LEU 69 -2.320 -1.128 -7.930 582 HD12 LEU 69 2HD1 LEU 69 -3.593 0.047 -7.607 583 HD13 LEU 69 3HD1 LEU 69 -2.679 0.134 -9.110 584 HD21 LEU 69 3HD2 LEU 69 -4.231 -2.812 -10.702 585 HD22 LEU 69 1HD2 LEU 69 -2.693 -2.841 -9.838 586 HD23 LEU 69 2HD2 LEU 69 -3.075 -1.498 -10.917 587 H TYR 70 H TYR 70 -7.959 -2.847 -7.529 588 HA TYR 70 HA TYR 70 -8.257 -4.438 -5.118 589 HB2 TYR 70 2HB TYR 70 -10.070 -4.436 -7.541 590 HB3 TYR 70 1HB TYR 70 -10.477 -4.907 -5.896 591 HD1 TYR 70 HD1 TYR 70 -10.011 -2.889 -4.122 592 HD2 TYR 70 HD2 TYR 70 -10.917 -2.414 -8.257 593 HE1 TYR 70 HE1 TYR 70 -10.861 -0.625 -3.673 594 HE2 TYR 70 HE2 TYR 70 -11.764 -0.149 -7.818 595 HH TYR 70 HH TYR 70 -11.220 1.486 -4.904 596 HA PRO 71 HA PRO 71 -6.753 -8.392 -6.630 597 HB2 PRO 71 2HB PRO 71 -9.362 -9.534 -5.726 598 HB3 PRO 71 1HB PRO 71 -7.715 -10.040 -5.331 599 HG2 PRO 71 2HG PRO 71 -9.194 -8.707 -3.558 600 HG3 PRO 71 1HG PRO 71 -7.454 -8.399 -3.714 601 HD2 PRO 71 2HD PRO 71 -9.763 -6.758 -4.674 602 HD3 PRO 71 1HD PRO 71 -8.194 -6.233 -4.031 603 H ASP 72 H ASP 72 -10.017 -7.388 -7.405 604 HA ASP 72 HA ASP 72 -9.833 -8.737 -10.023 605 HB2 ASP 72 2HB ASP 72 -11.476 -9.923 -8.749 606 HB3 ASP 72 1HB ASP 72 -12.204 -8.430 -8.167 607 H GLY 73 H GLY 73 -12.043 -6.374 -8.535 608 HA2 GLY 73 2HA GLY 73 -11.235 -4.035 -9.730 609 HA3 GLY 73 1HA GLY 73 -12.233 -4.826 -10.942 610 H ASP 74 H ASP 74 -14.100 -6.040 -9.209 611 HA ASP 74 HA ASP 74 -15.803 -3.816 -8.562 612 HB2 ASP 74 2HB ASP 74 -16.761 -5.846 -9.489 613 HB3 ASP 74 1HB ASP 74 -16.135 -6.797 -8.144 614 H PHE 75 H PHE 75 -16.516 -3.126 -6.545 615 HA PHE 75 HA PHE 75 -14.660 -3.237 -4.421 616 HB2 PHE 75 2HB PHE 75 -16.378 -1.999 -3.113 617 HB3 PHE 75 1HB PHE 75 -16.077 -1.295 -4.697 618 HD1 PHE 75 HD1 PHE 75 -17.767 -1.419 -6.461 619 HD2 PHE 75 HD2 PHE 75 -18.524 -2.984 -2.570 620 HE1 PHE 75 HE1 PHE 75 -20.172 -1.498 -6.960 621 HE2 PHE 75 HE2 PHE 75 -20.930 -3.067 -3.074 622 HZ PHE 75 HZ PHE 75 -21.759 -2.322 -5.269 623 H GLY 76 H GLY 76 -17.762 -4.929 -4.898 624 HA2 GLY 76 2HA GLY 76 -17.861 -6.196 -2.363 625 HA3 GLY 76 1HA GLY 76 -18.667 -6.755 -3.823 626 H SER 77 H SER 77 -16.519 -7.231 -5.478 627 HA SER 77 HA SER 77 -15.559 -9.748 -4.681 628 HB2 SER 77 2HB SER 77 -15.663 -9.052 -7.040 629 HB3 SER 77 1HB SER 77 -14.383 -7.873 -6.753 630 HG SER 77 HG SER 77 -13.967 -10.220 -7.579 631 H ALA 78 H ALA 78 -14.143 -6.533 -4.352 632 HA ALA 78 HA ALA 78 -11.603 -7.388 -3.389 633 HB1 ALA 78 3HB ALA 78 -13.013 -4.751 -2.952 634 HB2 ALA 78 1HB ALA 78 -11.977 -5.151 -4.321 635 HB3 ALA 78 2HB ALA 78 -11.296 -5.067 -2.697 636 H ASN 79 H ASN 79 -14.600 -6.387 -1.738 637 HA ASN 79 HA ASN 79 -13.551 -6.565 0.895 638 HB2 ASN 79 2HB ASN 79 -16.415 -6.618 -0.077 639 HB3 ASN 79 1HB ASN 79 -15.939 -6.474 1.611 640 HD21 ASN 79 1HD2 ASN 79 -17.460 -4.631 -0.016 641 HD22 ASN 79 2HD2 ASN 79 -16.593 -3.138 0.005 642 H LYS 80 H LYS 80 -15.169 -8.943 -1.178 643 HA LYS 80 HA LYS 80 -15.497 -10.866 0.921 644 HB2 LYS 80 2HB LYS 80 -16.108 -12.452 -0.809 645 HB3 LYS 80 1HB LYS 80 -16.903 -10.913 -1.106 646 HG2 LYS 80 2HG LYS 80 -15.271 -10.385 -2.834 647 HG3 LYS 80 1HG LYS 80 -14.433 -11.905 -2.520 648 HD2 LYS 80 2HD LYS 80 -17.297 -11.658 -3.460 649 HD3 LYS 80 1HD LYS 80 -15.918 -12.014 -4.502 650 HE2 LYS 80 2HE LYS 80 -16.856 -13.717 -2.184 651 HE3 LYS 80 1HE LYS 80 -17.168 -14.043 -3.888 652 HZ1 LYS 80 3HZ LYS 80 -14.487 -13.937 -2.618 653 HZ2 LYS 80 1HZ LYS 80 -14.791 -14.261 -4.249 654 HZ3 LYS 80 2HZ LYS 80 -15.316 -15.341 -3.060 655 H ASN 81 H ASN 81 -12.939 -10.167 -1.393 656 HA ASN 81 HA ASN 81 -11.407 -12.522 -0.725 657 HB2 ASN 81 2HB ASN 81 -11.222 -11.372 -2.939 658 HB3 ASN 81 1HB ASN 81 -10.467 -10.003 -2.126 659 HD21 ASN 81 1HD2 ASN 81 -10.066 -13.283 -3.179 660 HD22 ASN 81 2HD2 ASN 81 -8.363 -13.364 -2.906 661 H GLY 82 H GLY 82 -10.881 -9.018 -0.148 662 HA2 GLY 82 2HA GLY 82 -10.517 -8.194 2.079 663 HA3 GLY 82 1HA GLY 82 -9.772 -9.723 2.493 664 H THR 83 H THR 83 -8.374 -9.211 -0.356 665 HA THR 83 HA THR 83 -6.080 -7.856 0.892 666 HB THR 83 HB THR 83 -4.662 -8.837 -0.779 667 HG1 THR 83 HG1 THR 83 -6.900 -10.064 -2.028 668 HG21 THR 83 3HG2 THR 83 -6.681 -10.898 0.131 669 HG22 THR 83 1HG2 THR 83 -5.288 -10.333 1.059 670 HG23 THR 83 2HG2 THR 83 -5.045 -11.236 -0.436 671 H LEU 84 H LEU 84 -5.065 -6.093 -0.011 672 HA LEU 84 HA LEU 84 -6.206 -4.957 -2.492 673 HB2 LEU 84 2HB LEU 84 -5.374 -3.450 -0.005 674 HB3 LEU 84 1HB LEU 84 -5.762 -2.690 -1.537 675 HG LEU 84 HG LEU 84 -7.682 -4.287 0.169 676 HD11 LEU 84 1HD1 LEU 84 -8.763 -2.139 0.579 677 HD12 LEU 84 2HD1 LEU 84 -7.507 -1.320 -0.350 678 HD13 LEU 84 3HD1 LEU 84 -7.100 -2.138 1.159 679 HD21 LEU 84 3HD2 LEU 84 -9.403 -3.505 -1.392 680 HD22 LEU 84 1HD2 LEU 84 -8.202 -4.502 -2.212 681 HD23 LEU 84 2HD2 LEU 84 -8.162 -2.747 -2.390 682 H LYS 85 H LYS 85 -4.736 -4.196 -3.976 683 HA LYS 85 HA LYS 85 -1.921 -4.737 -3.411 684 HB2 LYS 85 2HB LYS 85 -3.406 -4.161 -5.976 685 HB3 LYS 85 1HB LYS 85 -1.653 -4.258 -5.898 686 HG2 LYS 85 2HG LYS 85 -1.882 -6.565 -4.999 687 HG3 LYS 85 1HG LYS 85 -3.621 -6.450 -5.271 688 HD2 LYS 85 2HD LYS 85 -3.268 -6.175 -7.652 689 HD3 LYS 85 1HD LYS 85 -1.519 -6.130 -7.422 690 HE2 LYS 85 2HE LYS 85 -2.184 -8.318 -8.216 691 HE3 LYS 85 1HE LYS 85 -1.596 -8.441 -6.559 692 HZ1 LYS 85 3HZ LYS 85 -3.861 -8.553 -5.777 693 HZ2 LYS 85 1HZ LYS 85 -3.610 -9.743 -6.951 694 HZ3 LYS 85 2HZ LYS 85 -4.456 -8.336 -7.346 695 H LEU 86 H LEU 86 -0.865 -3.136 -2.449 696 HA LEU 86 HA LEU 86 -1.379 -0.355 -3.046 697 HB2 LEU 86 2HB LEU 86 0.763 -1.685 -1.372 698 HB3 LEU 86 1HB LEU 86 0.589 0.051 -1.543 699 HG LEU 86 HG LEU 86 -1.732 -0.191 -0.549 700 HD11 LEU 86 1HD1 LEU 86 -2.186 -2.194 0.779 701 HD12 LEU 86 2HD1 LEU 86 -0.730 -2.952 0.134 702 HD13 LEU 86 3HD1 LEU 86 -2.072 -2.563 -0.942 703 HD21 LEU 86 3HD2 LEU 86 -0.900 -0.316 1.749 704 HD22 LEU 86 1HD2 LEU 86 0.157 0.662 0.729 705 HD23 LEU 86 2HD2 LEU 86 0.626 -0.982 1.163 706 H SER 87 H SER 87 -0.453 0.778 -4.653 707 HA SER 87 HA SER 87 1.633 -0.453 -6.268 708 HB2 SER 87 2HB SER 87 -0.197 0.614 -7.445 709 HB3 SER 87 1HB SER 87 0.096 2.137 -6.607 710 HG SER 87 HG SER 87 2.066 2.315 -7.690 711 H LEU 88 H LEU 88 3.501 -0.364 -5.003 712 HA LEU 88 HA LEU 88 4.423 2.220 -4.013 713 HB2 LEU 88 2HB LEU 88 5.503 -0.581 -3.779 714 HB3 LEU 88 1HB LEU 88 6.461 0.807 -3.305 715 HG LEU 88 HG LEU 88 4.652 1.424 -1.683 716 HD11 LEU 88 1HD1 LEU 88 3.014 -0.279 -1.057 717 HD12 LEU 88 2HD1 LEU 88 3.556 -1.297 -2.392 718 HD13 LEU 88 3HD1 LEU 88 2.786 0.255 -2.723 719 HD21 LEU 88 3HD2 LEU 88 5.273 -0.272 -0.034 720 HD22 LEU 88 1HD2 LEU 88 6.671 0.250 -0.971 721 HD23 LEU 88 2HD2 LEU 88 5.906 -1.301 -1.320 722 H MET 89 H MET 89 5.901 3.487 -4.955 723 HA MET 89 HA MET 89 7.320 2.490 -7.333 724 HB2 MET 89 2HB MET 89 7.801 4.896 -7.791 725 HB3 MET 89 1HB MET 89 6.088 4.509 -7.778 726 HG2 MET 89 2HG MET 89 5.864 5.463 -5.555 727 HG3 MET 89 1HG MET 89 7.595 5.795 -5.506 728 HE1 MET 89 3HE MET 89 8.156 6.765 -8.493 729 HE2 MET 89 1HE MET 89 8.811 7.566 -7.065 730 HE3 MET 89 2HE MET 89 7.979 8.510 -8.304 731 H LEU 90 H LEU 90 9.154 1.529 -6.701 732 HA LEU 90 HA LEU 90 10.725 2.513 -4.485 733 HB2 LEU 90 2HB LEU 90 11.211 0.239 -6.422 734 HB3 LEU 90 1HB LEU 90 12.257 0.624 -5.069 735 HG LEU 90 HG LEU 90 10.902 -1.223 -4.422 736 HD11 LEU 90 1HD1 LEU 90 11.269 0.460 -2.692 737 HD12 LEU 90 2HD1 LEU 90 9.729 -0.370 -2.473 738 HD13 LEU 90 3HD1 LEU 90 9.763 1.261 -3.144 739 HD21 LEU 90 3HD2 LEU 90 8.467 -1.211 -4.458 740 HD22 LEU 90 1HD2 LEU 90 9.119 -0.987 -6.080 741 HD23 LEU 90 2HD2 LEU 90 8.469 0.393 -5.193 742 H THR 91 H THR 91 12.088 4.157 -4.716 743 HA THR 91 HA THR 91 13.130 4.777 -7.396 744 HB THR 91 HB THR 91 13.218 6.556 -4.944 745 HG1 THR 91 HG1 THR 91 11.036 6.068 -5.618 746 HG21 THR 91 3HG2 THR 91 13.548 8.350 -6.606 747 HG22 THR 91 1HG2 THR 91 13.564 7.147 -7.895 748 HG23 THR 91 2HG2 THR 91 14.841 7.153 -6.678 749 H ASP 92 H ASP 92 15.203 4.455 -7.908 750 HA ASP 92 HA ASP 92 17.150 3.392 -6.165 751 HB2 ASP 92 2HB ASP 92 17.108 3.254 -8.702 752 HB3 ASP 92 1HB ASP 92 17.674 4.917 -8.736 753 H LYS 93 H LYS 93 18.155 4.414 -4.528 754 HA LYS 93 HA LYS 93 17.908 7.213 -4.095 755 HB2 LYS 93 2HB LYS 93 19.689 5.210 -2.683 756 HB3 LYS 93 1HB LYS 93 19.292 6.820 -2.093 757 HG2 LYS 93 2HG LYS 93 17.311 4.588 -2.551 758 HG3 LYS 93 1HG LYS 93 17.973 5.066 -0.989 759 HD2 LYS 93 2HD LYS 93 16.454 6.968 -2.775 760 HD3 LYS 93 1HD LYS 93 15.665 5.962 -1.561 761 HE2 LYS 93 2HE LYS 93 17.900 7.891 -0.935 762 HE3 LYS 93 1HE LYS 93 16.190 8.305 -0.823 763 HZ1 LYS 93 3HZ LYS 93 15.896 6.579 0.818 764 HZ2 LYS 93 1HZ LYS 93 17.114 7.639 1.315 765 HZ3 LYS 93 2HZ LYS 93 17.516 6.118 0.692 766 H LYS 94 H LYS 94 20.197 5.439 -5.892 767 HA LYS 94 HA LYS 94 22.278 7.518 -5.628 768 HB2 LYS 94 2HB LYS 94 22.483 4.809 -6.958 769 HB3 LYS 94 1HB LYS 94 23.808 5.889 -6.551 770 HG2 LYS 94 2HG LYS 94 23.603 5.458 -4.245 771 HG3 LYS 94 1HG LYS 94 22.005 4.736 -4.438 772 HD2 LYS 94 2HD LYS 94 24.628 3.580 -5.400 773 HD3 LYS 94 1HD LYS 94 23.658 3.002 -4.043 774 HE2 LYS 94 2HE LYS 94 21.794 2.561 -5.651 775 HE3 LYS 94 1HE LYS 94 22.891 2.984 -6.963 776 HZ1 LYS 94 3HZ LYS 94 23.220 0.738 -5.050 777 HZ2 LYS 94 1HZ LYS 94 24.343 1.159 -6.247 778 HZ3 LYS 94 2HZ LYS 94 22.802 0.616 -6.682 779 H ASN 95 H ASN 95 20.949 5.453 -8.219 780 HA ASN 95 HA ASN 95 21.902 7.212 -10.287 781 HB2 ASN 95 2HB ASN 95 20.106 4.782 -10.493 782 HB3 ASN 95 1HB ASN 95 20.940 5.570 -11.830 783 HD21 ASN 95 1HD2 ASN 95 21.246 3.458 -9.116 784 HD22 ASN 95 2HD2 ASN 95 22.876 2.974 -9.425 785 H ASN 96 H ASN 96 19.062 7.113 -8.435 786 HA ASN 96 HA ASN 96 17.066 8.173 -8.510 787 HB2 ASN 96 2HB ASN 96 18.405 9.924 -10.586 788 HB3 ASN 96 1HB ASN 96 16.909 10.300 -9.737 789 HD21 ASN 96 1HD2 ASN 96 20.348 10.162 -9.527 790 HD22 ASN 96 2HD2 ASN 96 20.488 10.927 -7.986 791 H GLN 97 H GLN 97 16.539 6.013 -9.547 792 HA GLN 97 HA GLN 97 15.077 6.485 -12.065 793 HB2 GLN 97 2HB GLN 97 16.651 4.038 -11.239 794 HB3 GLN 97 1HB GLN 97 15.407 3.971 -12.477 795 HG2 GLN 97 2HG GLN 97 17.844 5.739 -12.590 796 HG3 GLN 97 1HG GLN 97 17.700 4.172 -13.383 797 HE21 GLN 97 1HE2 GLN 97 16.711 7.496 -13.413 798 HE22 GLN 97 2HE2 GLN 97 15.992 7.473 -14.984 799 H VAL 98 H VAL 98 13.183 4.944 -12.302 800 HA VAL 98 HA VAL 98 11.942 4.563 -9.648 801 HB VAL 98 HB VAL 98 10.879 6.316 -11.029 802 HG11 VAL 98 1HG1 VAL 98 10.181 4.063 -12.916 803 HG12 VAL 98 2HG1 VAL 98 11.311 5.377 -13.243 804 HG13 VAL 98 3HG1 VAL 98 9.597 5.724 -13.020 805 HG21 VAL 98 3HG2 VAL 98 8.565 5.544 -10.755 806 HG22 VAL 98 1HG2 VAL 98 9.559 5.122 -9.360 807 HG23 VAL 98 2HG2 VAL 98 9.139 3.889 -10.549 808 H TYR 99 H TYR 99 11.007 2.686 -9.115 809 HA TYR 99 HA TYR 99 10.558 0.613 -11.165 810 HB2 TYR 99 2HB TYR 99 12.558 -0.064 -9.985 811 HB3 TYR 99 1HB TYR 99 11.817 0.271 -8.425 812 HD1 TYR 99 HD2 TYR 99 11.618 -1.996 -11.380 813 HD2 TYR 99 HD1 TYR 99 10.616 -1.405 -7.282 814 HE1 TYR 99 HE2 TYR 99 10.874 -4.334 -11.226 815 HE2 TYR 99 HE1 TYR 99 9.868 -3.740 -7.123 816 HH TYR 99 HH TYR 99 10.508 -6.056 -9.556 817 H TYR 100 H TYR 100 8.709 -0.750 -10.753 818 HA TYR 100 HA TYR 100 6.856 0.386 -8.746 819 HB2 TYR 100 2HB TYR 100 6.184 -0.800 -11.453 820 HB3 TYR 100 1HB TYR 100 5.015 -0.187 -10.286 821 HD1 TYR 100 HD2 TYR 100 4.837 2.232 -9.851 822 HD2 TYR 100 HD1 TYR 100 7.515 0.720 -12.799 823 HE1 TYR 100 HE2 TYR 100 5.063 4.492 -10.798 824 HE2 TYR 100 HE1 TYR 100 7.747 2.975 -13.748 825 HH TYR 100 HH TYR 100 6.507 5.081 -13.826 826 H LYS 101 H LYS 101 5.660 -0.970 -7.459 827 HA LYS 101 HA LYS 101 5.790 -3.862 -7.892 828 HB2 LYS 101 2HB LYS 101 7.784 -3.277 -6.541 829 HB3 LYS 101 1HB LYS 101 6.737 -2.562 -5.327 830 HG2 LYS 101 2HG LYS 101 7.113 -4.595 -4.377 831 HG3 LYS 101 1HG LYS 101 5.658 -4.964 -5.295 832 HD2 LYS 101 2HD LYS 101 8.457 -5.488 -6.315 833 HD3 LYS 101 1HD LYS 101 7.506 -6.677 -5.430 834 HE2 LYS 101 2HE LYS 101 7.022 -7.299 -7.577 835 HE3 LYS 101 1HE LYS 101 5.718 -6.150 -7.299 836 HZ1 LYS 101 3HZ LYS 101 7.140 -4.449 -8.401 837 HZ2 LYS 101 1HZ LYS 101 6.684 -5.720 -9.420 838 HZ3 LYS 101 2HZ LYS 101 8.245 -5.666 -8.779 839 H LEU 102 H LEU 102 3.811 -4.667 -7.619 840 HA LEU 102 HA LEU 102 1.834 -3.234 -6.007 841 HB2 LEU 102 2HB LEU 102 1.602 -5.540 -7.948 842 HB3 LEU 102 1HB LEU 102 0.256 -4.973 -6.983 843 HG LEU 102 HG LEU 102 0.076 -4.069 -9.211 844 HD11 LEU 102 1HD1 LEU 102 -0.038 -1.686 -8.728 845 HD12 LEU 102 2HD1 LEU 102 0.935 -1.925 -7.276 846 HD13 LEU 102 3HD1 LEU 102 -0.673 -2.646 -7.391 847 HD21 LEU 102 3HD2 LEU 102 1.768 -2.572 -10.161 848 HD22 LEU 102 1HD2 LEU 102 2.406 -4.193 -9.897 849 HD23 LEU 102 2HD2 LEU 102 2.822 -2.890 -8.785 850 H LEU 103 H LEU 103 1.641 -3.759 -3.919 851 HA LEU 103 HA LEU 103 2.280 -6.511 -3.050 852 HB2 LEU 103 2HB LEU 103 2.047 -3.966 -1.435 853 HB3 LEU 103 1HB LEU 103 2.494 -5.539 -0.797 854 HG LEU 103 HG LEU 103 4.102 -3.967 -2.827 855 HD11 LEU 103 1HD1 LEU 103 4.090 -2.891 -0.634 856 HD12 LEU 103 2HD1 LEU 103 5.671 -3.580 -1.001 857 HD13 LEU 103 3HD1 LEU 103 4.588 -4.406 0.120 858 HD21 LEU 103 3HD2 LEU 103 5.846 -5.633 -2.402 859 HD22 LEU 103 1HD2 LEU 103 4.393 -6.383 -3.062 860 HD23 LEU 103 2HD2 LEU 103 4.752 -6.519 -1.339 861 H GLU 104 H GLU 104 0.478 -7.776 -2.956 862 HA GLU 104 HA GLU 104 -2.065 -6.604 -2.126 863 HB2 GLU 104 2HB GLU 104 -3.044 -8.812 -2.696 864 HB3 GLU 104 1HB GLU 104 -2.206 -8.048 -4.033 865 HG2 GLU 104 2HG GLU 104 -0.256 -9.513 -3.595 866 HG3 GLU 104 1HG GLU 104 -1.198 -10.333 -2.349 867 H VAL 105 H VAL 105 -2.285 -6.340 -0.016 868 HA VAL 105 HA VAL 105 -1.639 -8.606 1.779 869 HB VAL 105 HB VAL 105 -1.238 -6.968 3.579 870 HG11 VAL 105 1HG1 VAL 105 0.445 -6.519 1.105 871 HG12 VAL 105 2HG1 VAL 105 0.669 -7.788 2.310 872 HG13 VAL 105 3HG1 VAL 105 0.919 -6.098 2.752 873 HG21 VAL 105 3HG2 VAL 105 -0.980 -4.576 3.013 874 HG22 VAL 105 1HG2 VAL 105 -2.637 -5.141 2.808 875 HG23 VAL 105 2HG2 VAL 105 -1.604 -4.905 1.398 876 H SER 106 H SER 106 -3.013 -8.901 3.624 877 HA SER 106 HA SER 106 -5.773 -7.966 3.152 878 HB2 SER 106 2HB SER 106 -5.437 -10.417 3.108 879 HB3 SER 106 1HB SER 106 -4.815 -10.361 4.754 880 HG SER 106 HG SER 106 -7.228 -10.800 4.196 881 H GLY 107 H GLY 107 -7.006 -8.303 5.488 882 HA2 GLY 107 2HA GLY 107 -6.722 -7.787 7.880 883 HA3 GLY 107 1HA GLY 107 -5.538 -6.579 7.407 884 H PHE 108 H PHE 108 -7.371 -5.859 5.090 885 HA PHE 108 HA PHE 108 -8.701 -3.692 6.358 886 HB2 PHE 108 2HB PHE 108 -9.093 -4.756 3.544 887 HB3 PHE 108 1HB PHE 108 -9.532 -3.151 4.123 888 HD1 PHE 108 HD2 PHE 108 -7.790 -1.485 4.609 889 HD2 PHE 108 HD1 PHE 108 -6.816 -5.314 3.008 890 HE1 PHE 108 HE2 PHE 108 -5.554 -0.663 4.005 891 HE2 PHE 108 HE1 PHE 108 -4.576 -4.493 2.404 892 HZ PHE 108 HZ PHE 108 -3.944 -2.165 2.902 893 H LYS 109 H LYS 109 -9.936 -6.647 4.786 894 HA LYS 109 HA LYS 109 -12.048 -6.956 6.681 895 HB2 LYS 109 2HB LYS 109 -12.796 -5.111 4.936 896 HB3 LYS 109 1HB LYS 109 -13.099 -6.496 3.899 897 HG2 LYS 109 2HG LYS 109 -15.139 -5.837 5.011 898 HG3 LYS 109 1HG LYS 109 -14.628 -7.418 5.607 899 HD2 LYS 109 2HD LYS 109 -13.712 -6.404 7.618 900 HD3 LYS 109 1HD LYS 109 -14.083 -4.791 7.009 901 HE2 LYS 109 2HE LYS 109 -15.728 -5.522 8.670 902 HE3 LYS 109 1HE LYS 109 -16.469 -5.294 7.087 903 HZ1 LYS 109 3HZ LYS 109 -17.186 -7.333 8.270 904 HZ2 LYS 109 1HZ LYS 109 -15.612 -7.933 8.143 905 HZ3 LYS 109 2HZ LYS 109 -16.521 -7.635 6.748 906 H SER 110 H SER 110 -13.572 -8.854 5.859 907 HA SER 110 HA SER 110 -12.645 -10.497 3.722 908 HB2 SER 110 2HB SER 110 -11.912 -12.461 5.062 909 HB3 SER 110 1HB SER 110 -10.843 -11.075 5.263 910 HG SER 110 HG SER 110 -11.248 -11.152 7.311 911 H ASN 111 H ASN 111 -14.817 -10.506 3.116 912 HA ASN 111 HA ASN 111 -16.535 -12.251 4.767 913 HB2 ASN 111 2HB ASN 111 -17.383 -9.671 3.425 914 HB3 ASN 111 1HB ASN 111 -18.494 -10.832 4.144 915 HD21 ASN 111 1HD2 ASN 111 -16.694 -11.433 6.370 916 HD22 ASN 111 2HD2 ASN 111 -16.791 -10.070 7.418 917 HA PRO 112 HA PRO 112 -16.292 -13.889 0.395 918 HB2 PRO 112 2HB PRO 112 -16.473 -16.524 1.197 919 HB3 PRO 112 1HB PRO 112 -14.953 -15.649 0.984 920 HG2 PRO 112 2HG PRO 112 -16.493 -16.190 3.498 921 HG3 PRO 112 1HG PRO 112 -14.742 -16.263 3.220 922 HD2 PRO 112 2HD PRO 112 -15.887 -14.169 4.459 923 HD3 PRO 112 1HD PRO 112 -14.497 -13.957 3.374 924 H TYR 113 H TYR 113 -18.247 -15.657 2.829 925 HA TYR 113 HA TYR 113 -20.571 -15.432 1.033 926 HB2 TYR 113 2HB TYR 113 -21.512 -17.315 2.399 927 HB3 TYR 113 1HB TYR 113 -20.033 -17.718 1.537 928 HD1 TYR 113 HD2 TYR 113 -21.323 -16.743 4.897 929 HD2 TYR 113 HD1 TYR 113 -18.173 -18.580 2.698 930 HE1 TYR 113 HE2 TYR 113 -20.310 -17.510 6.998 931 HE2 TYR 113 HE1 TYR 113 -17.160 -19.360 4.798 932 HH TYR 113 HH TYR 113 -18.802 -19.250 7.785 933 H LEU 114 H LEU 114 -19.391 -13.648 3.388 934 HA LEU 114 HA LEU 114 -21.776 -13.478 5.083 935 HB2 LEU 114 2HB LEU 114 -19.070 -12.156 5.328 936 HB3 LEU 114 1HB LEU 114 -20.387 -11.947 6.469 937 HG LEU 114 HG LEU 114 -19.028 -14.582 5.864 938 HD11 LEU 114 1HD1 LEU 114 -17.531 -13.054 7.042 939 HD12 LEU 114 2HD1 LEU 114 -18.045 -14.382 8.085 940 HD13 LEU 114 3HD1 LEU 114 -18.767 -12.783 8.273 941 HD21 LEU 114 3HD2 LEU 114 -21.087 -13.850 7.950 942 HD22 LEU 114 1HD2 LEU 114 -20.269 -15.408 7.811 943 HD23 LEU 114 2HD2 LEU 114 -21.354 -14.865 6.532 944 H GLU 115 H GLU 115 -20.962 -12.195 2.214 945 HA GLU 115 HA GLU 115 -21.879 -9.481 2.673 946 HB2 GLU 115 2HB GLU 115 -20.205 -9.909 0.939 947 HB3 GLU 115 1HB GLU 115 -21.321 -10.981 0.102 948 HG2 GLU 115 2HG GLU 115 -22.835 -9.083 -0.284 949 HG3 GLU 115 1HG GLU 115 -21.683 -8.014 0.513 950 H HIS 116 H HIS 116 -23.100 -11.717 0.178 951 HA HIS 116 HA HIS 116 -25.785 -11.644 1.354 952 HB2 HIS 116 2HB HIS 116 -25.189 -10.859 -1.514 953 HB3 HIS 116 1HB HIS 116 -26.801 -11.167 -0.882 954 HD1 HIS 116 HD1 HIS 116 -27.639 -9.448 0.994 955 HD2 HIS 116 HD2 HIS 116 -24.277 -8.302 -1.155 956 HE1 HIS 116 HE1 HIS 116 -27.386 -6.989 1.407 957 HE2 HIS 116 HE2 HIS 116 -25.269 -6.346 0.213 958 H HIS 117 H HIS 117 -25.733 -13.834 1.819 959 HA HIS 117 HA HIS 117 -24.710 -15.719 -0.116 960 HB2 HIS 117 2HB HIS 117 -25.230 -17.431 1.609 961 HB3 HIS 117 1HB HIS 117 -24.223 -16.122 2.214 962 HD1 HIS 117 HD1 HIS 117 -25.166 -14.706 4.134 963 HD2 HIS 117 HD2 HIS 117 -27.857 -17.516 2.676 964 HE1 HIS 117 HE1 HIS 117 -27.064 -14.730 5.768 965 HE2 HIS 117 HE2 HIS 117 -28.588 -16.560 4.958 966 H HIS 118 H HIS 118 -26.576 -14.769 -1.615 967 HA HIS 118 HA HIS 118 -29.175 -15.949 -1.200 968 HB2 HIS 118 2HB HIS 118 -27.979 -14.445 -3.528 969 HB3 HIS 118 1HB HIS 118 -29.616 -15.097 -3.553 970 HD1 HIS 118 HD1 HIS 118 -31.296 -14.082 -1.750 971 HD2 HIS 118 HD2 HIS 118 -27.702 -12.049 -2.206 972 HE1 HIS 118 HE1 HIS 118 -31.647 -11.846 -0.669 973 HE2 HIS 118 HE2 HIS 118 -29.406 -10.715 -0.793 974 H HIS 119 H HIS 119 -29.548 -18.025 -1.457 975 HA HIS 119 HA HIS 119 -28.940 -19.385 -3.915 976 HB2 HIS 119 2HB HIS 119 -27.732 -21.289 -2.760 977 HB3 HIS 119 1HB HIS 119 -26.812 -19.795 -2.906 978 HD1 HIS 119 HD1 HIS 119 -29.113 -21.322 -0.256 979 HD2 HIS 119 HD2 HIS 119 -25.561 -19.199 -0.604 980 HE1 HIS 119 HE1 HIS 119 -28.273 -21.035 2.082 981 HE2 HIS 119 HE2 HIS 119 -26.036 -19.928 1.825 982 H HIS 120 H HIS 120 -30.144 -21.295 -4.195 983 HA HIS 120 HA HIS 120 -32.554 -21.425 -2.613 984 HB2 HIS 120 2HB HIS 120 -31.651 -23.237 -4.871 985 HB3 HIS 120 1HB HIS 120 -33.280 -23.137 -4.207 986 HD1 HIS 120 HD1 HIS 120 -34.779 -21.255 -5.057 987 HD2 HIS 120 HD2 HIS 120 -30.875 -20.997 -6.456 988 HE1 HIS 120 HE1 HIS 120 -34.816 -19.486 -6.830 989 HE2 HIS 120 HE2 HIS 120 -32.483 -19.450 -7.763 990 H HIS 121 H HIS 121 -33.084 -22.881 -1.043 991 HA HIS 121 HA HIS 121 -31.017 -24.543 0.044 992 HB2 HIS 121 2HB HIS 121 -32.588 -25.083 1.820 993 HB3 HIS 121 1HB HIS 121 -32.597 -23.355 1.503 994 HD1 HIS 121 HD1 HIS 121 -34.814 -26.115 2.037 995 HD2 HIS 121 HD2 HIS 121 -34.963 -22.625 -0.212 996 HE1 HIS 121 HE1 HIS 121 -37.244 -25.741 1.543 997 HE2 HIS 121 HE2 HIS 121 -37.295 -23.711 0.060 Start of MODEL 18 1 H1 MET 1 1H MET 1 30.114 -14.856 4.247 2 H2 MET 1 2H MET 1 30.464 -15.888 5.535 3 H3 MET 1 3H MET 1 29.706 -14.402 5.825 4 HA MET 1 HA MET 1 28.575 -16.705 4.338 5 HB2 MET 1 2HB MET 1 26.997 -16.895 6.204 6 HB3 MET 1 1HB MET 1 28.655 -17.076 6.757 7 HG2 MET 1 2HG MET 1 26.970 -14.589 7.010 8 HG3 MET 1 1HG MET 1 27.338 -15.731 8.300 9 HE1 MET 1 3HE MET 1 29.413 -12.497 9.224 10 HE2 MET 1 1HE MET 1 28.198 -13.643 9.795 11 HE3 MET 1 2HE MET 1 27.830 -12.560 8.453 12 H LEU 2 H LEU 2 28.579 -13.315 4.624 13 HA LEU 2 HA LEU 2 25.772 -12.898 4.074 14 HB2 LEU 2 2HB LEU 2 27.361 -11.306 5.311 15 HB3 LEU 2 1HB LEU 2 28.002 -10.883 3.740 16 HG LEU 2 HG LEU 2 26.352 -9.247 4.638 17 HD11 LEU 2 1HD1 LEU 2 25.068 -8.945 2.598 18 HD12 LEU 2 2HD1 LEU 2 25.448 -10.590 2.090 19 HD13 LEU 2 3HD1 LEU 2 26.734 -9.390 2.222 20 HD21 LEU 2 3HD2 LEU 2 23.972 -9.814 4.649 21 HD22 LEU 2 1HD2 LEU 2 24.877 -10.798 5.800 22 HD23 LEU 2 2HD2 LEU 2 24.366 -11.490 4.259 23 H SER 3 H SER 3 25.124 -13.766 2.151 24 HA SER 3 HA SER 3 26.712 -13.207 -0.267 25 HB2 SER 3 2HB SER 3 24.472 -15.191 0.203 26 HB3 SER 3 1HB SER 3 25.286 -14.950 -1.342 27 HG SER 3 HG SER 3 26.341 -16.615 -0.396 28 H GLN 4 H GLN 4 25.683 -12.426 -2.194 29 HA GLN 4 HA GLN 4 23.013 -11.279 -1.939 30 HB2 GLN 4 2HB GLN 4 23.752 -9.009 -2.546 31 HB3 GLN 4 1HB GLN 4 24.426 -9.527 -1.006 32 HG2 GLN 4 2HG GLN 4 26.546 -10.077 -2.144 33 HG3 GLN 4 1HG GLN 4 25.868 -9.481 -3.657 34 HE21 GLN 4 1HE2 GLN 4 28.201 -8.580 -2.160 35 HE22 GLN 4 2HE2 GLN 4 27.935 -6.909 -1.815 36 H ALA 5 H ALA 5 21.945 -11.612 -3.759 37 HA ALA 5 HA ALA 5 23.348 -11.349 -6.344 38 HB1 ALA 5 3HB ALA 5 22.935 -13.731 -5.906 39 HB2 ALA 5 1HB ALA 5 21.974 -13.153 -7.268 40 HB3 ALA 5 2HB ALA 5 21.216 -13.396 -5.693 41 H ASN 6 H ASN 6 21.534 -11.165 -8.163 42 HA ASN 6 HA ASN 6 20.203 -8.722 -7.698 43 HB2 ASN 6 2HB ASN 6 19.836 -10.792 -9.879 44 HB3 ASN 6 1HB ASN 6 19.017 -9.233 -9.881 45 HD21 ASN 6 1HD2 ASN 6 22.292 -9.617 -8.706 46 HD22 ASN 6 2HD2 ASN 6 23.050 -8.768 -9.998 47 H GLU 7 H GLU 7 19.151 -12.048 -7.394 48 HA GLU 7 HA GLU 7 16.387 -11.475 -7.030 49 HB2 GLU 7 2HB GLU 7 16.233 -13.781 -6.155 50 HB3 GLU 7 1HB GLU 7 17.046 -13.681 -7.707 51 HG2 GLU 7 2HG GLU 7 19.202 -13.940 -6.639 52 HG3 GLU 7 1HG GLU 7 18.440 -13.943 -5.048 53 H ASP 8 H ASP 8 19.117 -11.669 -4.777 54 HA ASP 8 HA ASP 8 17.620 -11.558 -2.383 55 HB2 ASP 8 2HB ASP 8 20.411 -10.576 -3.018 56 HB3 ASP 8 1HB ASP 8 19.726 -10.565 -1.395 57 H PHE 9 H PHE 9 18.814 -9.019 -4.542 58 HA PHE 9 HA PHE 9 17.886 -6.827 -2.992 59 HB2 PHE 9 2HB PHE 9 18.453 -7.034 -5.963 60 HB3 PHE 9 1HB PHE 9 18.106 -5.527 -5.122 61 HD1 PHE 9 HD1 PHE 9 19.640 -4.930 -3.132 62 HD2 PHE 9 HD2 PHE 9 20.664 -7.776 -6.132 63 HE1 PHE 9 HE1 PHE 9 22.021 -4.680 -2.555 64 HE2 PHE 9 HE2 PHE 9 23.041 -7.532 -5.558 65 HZ PHE 9 HZ PHE 9 23.725 -5.985 -3.770 66 H LYS 10 H LYS 10 16.408 -8.584 -5.749 67 HA LYS 10 HA LYS 10 14.031 -7.069 -5.844 68 HB2 LYS 10 2HB LYS 10 13.263 -8.581 -7.400 69 HB3 LYS 10 1HB LYS 10 14.976 -8.965 -7.462 70 HG2 LYS 10 2HG LYS 10 14.605 -10.874 -5.967 71 HG3 LYS 10 1HG LYS 10 12.886 -10.484 -5.893 72 HD2 LYS 10 2HD LYS 10 12.860 -10.734 -8.424 73 HD3 LYS 10 1HD LYS 10 14.480 -11.418 -8.283 74 HE2 LYS 10 2HE LYS 10 11.985 -12.498 -6.958 75 HE3 LYS 10 1HE LYS 10 12.750 -13.162 -8.398 76 HZ1 LYS 10 3HZ LYS 10 14.061 -12.972 -5.741 77 HZ2 LYS 10 1HZ LYS 10 14.674 -13.738 -7.122 78 HZ3 LYS 10 2HZ LYS 10 13.312 -14.359 -6.341 79 H LYS 11 H LYS 11 14.984 -9.826 -3.891 80 HA LYS 11 HA LYS 11 12.569 -10.567 -2.746 81 HB2 LYS 11 2HB LYS 11 14.553 -11.884 -2.422 82 HB3 LYS 11 1HB LYS 11 15.373 -10.561 -1.615 83 HG2 LYS 11 2HG LYS 11 12.869 -11.528 -0.356 84 HG3 LYS 11 1HG LYS 11 14.257 -12.617 -0.314 85 HD2 LYS 11 2HD LYS 11 15.606 -10.767 0.677 86 HD3 LYS 11 1HD LYS 11 14.141 -9.783 0.740 87 HE2 LYS 11 2HE LYS 11 14.538 -10.790 2.902 88 HE3 LYS 11 1HE LYS 11 13.091 -11.491 2.183 89 HZ1 LYS 11 3HZ LYS 11 14.372 -13.236 3.118 90 HZ2 LYS 11 1HZ LYS 11 15.785 -12.724 2.342 91 HZ3 LYS 11 2HZ LYS 11 14.510 -13.372 1.441 92 H ILE 12 H ILE 12 14.879 -8.108 -1.574 93 HA ILE 12 HA ILE 12 13.510 -7.252 0.689 94 HB ILE 12 HB ILE 12 15.114 -5.521 -1.211 95 HG12 ILE 12 2HG1 ILE 12 16.011 -7.067 1.245 96 HG13 ILE 12 1HG1 ILE 12 16.357 -7.518 -0.422 97 HG21 ILE 12 1HG2 ILE 12 15.507 -4.089 0.758 98 HG22 ILE 12 2HG2 ILE 12 14.415 -5.103 1.702 99 HG23 ILE 12 3HG2 ILE 12 13.798 -4.177 0.335 100 HD11 ILE 12 3HD1 ILE 12 17.311 -5.016 0.963 101 HD12 ILE 12 1HD1 ILE 12 17.666 -5.476 -0.703 102 HD13 ILE 12 2HD1 ILE 12 18.270 -6.459 0.630 103 H VAL 13 H VAL 13 13.115 -6.186 -2.680 104 HA VAL 13 HA VAL 13 11.202 -4.153 -2.119 105 HB VAL 13 HB VAL 13 11.644 -5.593 -4.747 106 HG11 VAL 13 1HG1 VAL 13 10.460 -2.876 -4.143 107 HG12 VAL 13 2HG1 VAL 13 9.582 -4.299 -4.704 108 HG13 VAL 13 3HG1 VAL 13 10.768 -3.526 -5.755 109 HG21 VAL 13 3HG2 VAL 13 13.022 -3.139 -3.636 110 HG22 VAL 13 1HG2 VAL 13 13.182 -3.731 -5.292 111 HG23 VAL 13 2HG2 VAL 13 13.757 -4.713 -3.945 112 H ASN 14 H ASN 14 10.895 -7.561 -3.066 113 HA ASN 14 HA ASN 14 8.007 -7.409 -3.236 114 HB2 ASN 14 2HB ASN 14 9.940 -9.723 -3.433 115 HB3 ASN 14 1HB ASN 14 8.193 -9.932 -3.501 116 HD21 ASN 14 1HD2 ASN 14 10.990 -8.736 -5.164 117 HD22 ASN 14 2HD2 ASN 14 10.219 -8.481 -6.686 118 H ASN 15 H ASN 15 10.183 -7.706 -0.671 119 HA ASN 15 HA ASN 15 8.224 -9.097 1.036 120 HB2 ASN 15 2HB ASN 15 11.167 -8.547 1.329 121 HB3 ASN 15 1HB ASN 15 10.190 -8.934 2.742 122 HD21 ASN 15 1HD2 ASN 15 9.648 -10.276 -0.452 123 HD22 ASN 15 2HD2 ASN 15 10.073 -11.895 -0.033 124 H ILE 16 H ILE 16 8.505 -6.071 0.078 125 HA ILE 16 HA ILE 16 8.603 -4.529 2.443 126 HB ILE 16 HB ILE 16 7.206 -3.945 -0.180 127 HG12 ILE 16 2HG1 ILE 16 9.890 -3.023 0.897 128 HG13 ILE 16 1HG1 ILE 16 9.654 -4.246 -0.347 129 HG21 ILE 16 1HG2 ILE 16 7.195 -1.594 0.530 130 HG22 ILE 16 2HG2 ILE 16 7.842 -2.065 2.102 131 HG23 ILE 16 3HG2 ILE 16 6.235 -2.601 1.614 132 HD11 ILE 16 3HD1 ILE 16 8.640 -2.559 -1.800 133 HD12 ILE 16 1HD1 ILE 16 10.284 -2.134 -1.331 134 HD13 ILE 16 2HD1 ILE 16 8.914 -1.338 -0.557 135 H ARG 17 H ARG 17 7.294 -4.879 4.140 136 HA ARG 17 HA ARG 17 4.418 -5.362 3.652 137 HB2 ARG 17 2HB ARG 17 5.750 -7.137 4.876 138 HB3 ARG 17 1HB ARG 17 5.952 -5.982 6.187 139 HG2 ARG 17 2HG ARG 17 4.156 -7.480 6.724 140 HG3 ARG 17 1HG ARG 17 3.489 -5.873 6.425 141 HD2 ARG 17 2HD ARG 17 2.817 -6.554 4.180 142 HD3 ARG 17 1HD ARG 17 3.538 -8.143 4.423 143 HE ARG 17 HE ARG 17 1.432 -7.334 6.278 144 HH11 ARG 17 1HH1 ARG 17 2.365 -9.209 3.547 145 HH12 ARG 17 2HH1 ARG 17 0.948 -10.192 3.589 146 HH21 ARG 17 1HH2 ARG 17 -0.396 -8.600 6.323 147 HH22 ARG 17 2HH2 ARG 17 -0.603 -9.846 5.142 148 H LEU 18 H LEU 18 2.923 -3.986 4.503 149 HA LEU 18 HA LEU 18 3.822 -1.377 5.207 150 HB2 LEU 18 2HB LEU 18 1.341 -0.893 5.366 151 HB3 LEU 18 1HB LEU 18 1.952 -1.450 3.823 152 HG LEU 18 HG LEU 18 1.128 -3.779 4.501 153 HD11 LEU 18 1HD1 LEU 18 0.822 -3.392 6.884 154 HD12 LEU 18 2HD1 LEU 18 -0.706 -3.843 6.132 155 HD13 LEU 18 3HD1 LEU 18 -0.392 -2.158 6.549 156 HD21 LEU 18 3HD2 LEU 18 -1.153 -3.293 3.767 157 HD22 LEU 18 1HD2 LEU 18 0.033 -2.400 2.813 158 HD23 LEU 18 2HD2 LEU 18 -0.890 -1.576 4.071 159 H LYS 19 H LYS 19 3.891 -3.839 7.229 160 HA LYS 19 HA LYS 19 3.244 -2.128 9.550 161 HB2 LYS 19 2HB LYS 19 3.220 -5.159 9.499 162 HB3 LYS 19 1HB LYS 19 2.836 -4.139 10.879 163 HG2 LYS 19 2HG LYS 19 0.924 -3.210 9.528 164 HG3 LYS 19 1HG LYS 19 1.250 -4.471 8.337 165 HD2 LYS 19 2HD LYS 19 0.859 -6.189 10.046 166 HD3 LYS 19 1HD LYS 19 0.562 -4.933 11.249 167 HE2 LYS 19 2HE LYS 19 -1.331 -4.124 9.813 168 HE3 LYS 19 1HE LYS 19 -1.088 -5.539 8.793 169 HZ1 LYS 19 3HZ LYS 19 -1.625 -6.960 10.630 170 HZ2 LYS 19 1HZ LYS 19 -2.857 -5.814 10.458 171 HZ3 LYS 19 2HZ LYS 19 -1.717 -5.648 11.692 172 H ASP 20 H ASP 20 5.340 -4.708 8.347 173 HA ASP 20 HA ASP 20 7.331 -4.367 10.388 174 HB2 ASP 20 2HB ASP 20 7.254 -6.557 9.666 175 HB3 ASP 20 1HB ASP 20 6.938 -6.111 7.994 176 H THR 21 H THR 21 7.190 -3.616 6.897 177 HA THR 21 HA THR 21 9.938 -2.749 6.850 178 HB THR 21 HB THR 21 7.843 -2.524 4.676 179 HG1 THR 21 HG1 THR 21 9.180 -4.673 5.705 180 HG21 THR 21 3HG2 THR 21 9.783 -1.081 4.271 181 HG22 THR 21 1HG2 THR 21 9.768 -2.440 3.148 182 HG23 THR 21 2HG2 THR 21 10.866 -2.449 4.529 183 H PHE 22 H PHE 22 6.793 -1.102 6.680 184 HA PHE 22 HA PHE 22 7.967 1.371 7.581 185 HB2 PHE 22 2HB PHE 22 7.499 2.738 5.676 186 HB3 PHE 22 1HB PHE 22 8.405 1.352 5.079 187 HD1 PHE 22 HD1 PHE 22 6.975 -0.634 4.151 188 HD2 PHE 22 HD2 PHE 22 5.519 3.344 4.635 189 HE1 PHE 22 HE1 PHE 22 5.190 -1.087 2.525 190 HE2 PHE 22 HE2 PHE 22 3.730 2.889 3.008 191 HZ PHE 22 HZ PHE 22 3.565 0.671 1.952 192 H ASP 23 H ASP 23 6.385 2.950 8.176 193 HA ASP 23 HA ASP 23 3.632 1.899 8.370 194 HB2 ASP 23 2HB ASP 23 5.026 4.033 10.010 195 HB3 ASP 23 1HB ASP 23 3.360 3.514 10.233 196 H PHE 24 H PHE 24 2.356 2.714 6.755 197 HA PHE 24 HA PHE 24 2.847 5.437 5.813 198 HB2 PHE 24 2HB PHE 24 1.366 4.973 3.982 199 HB3 PHE 24 1HB PHE 24 2.461 3.613 4.160 200 HD1 PHE 24 HD1 PHE 24 1.569 1.524 5.379 201 HD2 PHE 24 HD2 PHE 24 -0.943 4.645 3.921 202 HE1 PHE 24 HE1 PHE 24 -0.363 -0.004 5.411 203 HE2 PHE 24 HE2 PHE 24 -2.868 3.118 3.955 204 HZ PHE 24 HZ PHE 24 -2.578 0.789 4.697 205 H LYS 25 H LYS 25 1.872 7.107 6.693 206 HA LYS 25 HA LYS 25 -0.654 6.726 8.159 207 HB2 LYS 25 2HB LYS 25 1.161 7.657 9.487 208 HB3 LYS 25 1HB LYS 25 1.420 8.928 8.302 209 HG2 LYS 25 2HG LYS 25 -0.740 9.900 8.819 210 HG3 LYS 25 1HG LYS 25 -1.090 8.587 9.944 211 HD2 LYS 25 2HD LYS 25 -0.361 10.602 11.127 212 HD3 LYS 25 1HD LYS 25 0.783 9.279 11.355 213 HE2 LYS 25 2HE LYS 25 2.255 10.245 9.658 214 HE3 LYS 25 1HE LYS 25 1.100 11.550 9.383 215 HZ1 LYS 25 3HZ LYS 25 2.946 12.189 10.844 216 HZ2 LYS 25 1HZ LYS 25 2.457 11.021 11.968 217 HZ3 LYS 25 2HZ LYS 25 1.444 12.324 11.610 218 H LEU 26 H LEU 26 -2.498 7.822 7.591 219 HA LEU 26 HA LEU 26 -2.469 9.091 4.960 220 HB2 LEU 26 2HB LEU 26 -4.806 8.343 6.735 221 HB3 LEU 26 1HB LEU 26 -4.923 8.922 5.086 222 HG LEU 26 HG LEU 26 -5.267 6.595 4.960 223 HD11 LEU 26 1HD1 LEU 26 -3.386 5.762 3.655 224 HD12 LEU 26 2HD1 LEU 26 -2.372 7.072 4.261 225 HD13 LEU 26 3HD1 LEU 26 -3.764 7.433 3.241 226 HD21 LEU 26 3HD2 LEU 26 -2.797 6.177 6.651 227 HD22 LEU 26 1HD2 LEU 26 -3.816 4.912 5.962 228 HD23 LEU 26 2HD2 LEU 26 -4.466 5.992 7.195 229 H ALA 27 H ALA 27 -2.694 11.261 4.627 230 HA ALA 27 HA ALA 27 -2.406 13.146 6.645 231 HB1 ALA 27 3HB ALA 27 -3.677 13.594 3.946 232 HB2 ALA 27 1HB ALA 27 -1.943 13.562 4.269 233 HB3 ALA 27 2HB ALA 27 -2.950 14.825 4.980 234 H ALA 28 H ALA 28 -5.411 11.895 5.247 235 HA ALA 28 HA ALA 28 -7.062 13.730 6.780 236 HB1 ALA 28 3HB ALA 28 -7.876 11.409 5.028 237 HB2 ALA 28 1HB ALA 28 -7.716 13.087 4.507 238 HB3 ALA 28 2HB ALA 28 -8.948 12.645 5.689 239 H PHE 29 H PHE 29 -5.565 10.768 7.402 240 HA PHE 29 HA PHE 29 -7.229 10.339 9.780 241 HB2 PHE 29 2HB PHE 29 -6.495 8.123 7.837 242 HB3 PHE 29 1HB PHE 29 -7.265 7.894 9.401 243 HD1 PHE 29 HD1 PHE 29 -9.587 8.701 9.770 244 HD2 PHE 29 HD2 PHE 29 -7.749 8.771 5.926 245 HE1 PHE 29 HE1 PHE 29 -11.799 8.939 8.719 246 HE2 PHE 29 HE2 PHE 29 -9.956 9.013 4.873 247 HZ PHE 29 HZ PHE 29 -11.984 9.096 6.267 248 HA PRO 30 HA PRO 30 -2.631 10.280 10.543 249 HB2 PRO 30 2HB PRO 30 -3.370 11.743 12.997 250 HB3 PRO 30 1HB PRO 30 -2.222 12.181 11.729 251 HG2 PRO 30 2HG PRO 30 -4.567 13.468 12.013 252 HG3 PRO 30 1HG PRO 30 -3.849 13.180 10.415 253 HD2 PRO 30 2HD PRO 30 -6.064 11.690 11.798 254 HD3 PRO 30 1HD PRO 30 -5.948 12.217 10.103 255 H ASN 31 H ASN 31 -5.186 9.773 12.988 256 HA ASN 31 HA ASN 31 -3.385 7.973 14.466 257 HB2 ASN 31 2HB ASN 31 -5.959 9.326 15.308 258 HB3 ASN 31 1HB ASN 31 -5.033 8.220 16.324 259 HD21 ASN 31 1HD2 ASN 31 -5.067 11.353 14.803 260 HD22 ASN 31 2HD2 ASN 31 -3.771 12.028 15.722 261 H GLN 32 H GLN 32 -5.858 7.747 12.220 262 HA GLN 32 HA GLN 32 -6.950 5.240 13.244 263 HB2 GLN 32 2HB GLN 32 -7.472 6.642 10.611 264 HB3 GLN 32 1HB GLN 32 -8.359 5.257 11.231 265 HG2 GLN 32 2HG GLN 32 -8.287 8.025 12.430 266 HG3 GLN 32 1HG GLN 32 -9.630 7.288 11.559 267 HE21 GLN 32 1HE2 GLN 32 -7.868 7.384 14.542 268 HE22 GLN 32 2HE2 GLN 32 -8.980 6.444 15.467 269 H ASN 33 H ASN 33 -5.637 3.519 13.078 270 HA ASN 33 HA ASN 33 -3.538 3.407 11.112 271 HB2 ASN 33 2HB ASN 33 -3.432 2.587 13.545 272 HB3 ASN 33 1HB ASN 33 -4.315 1.170 12.986 273 HD21 ASN 33 1HD2 ASN 33 -1.821 2.942 11.224 274 HD22 ASN 33 2HD2 ASN 33 -0.674 1.652 11.209 275 H TYR 34 H TYR 34 -3.158 1.564 9.691 276 HA TYR 34 HA TYR 34 -5.173 1.205 7.839 277 HB2 TYR 34 2HB TYR 34 -3.649 -0.804 7.088 278 HB3 TYR 34 1HB TYR 34 -3.081 0.856 6.962 279 HD1 TYR 34 HD1 TYR 34 -3.048 -1.997 9.396 280 HD2 TYR 34 HD2 TYR 34 -0.979 1.363 7.795 281 HE1 TYR 34 HE1 TYR 34 -1.089 -2.546 10.773 282 HE2 TYR 34 HE2 TYR 34 0.984 0.815 9.166 283 HH TYR 34 HH TYR 34 1.483 -0.404 11.252 284 H ASP 35 H ASP 35 -4.532 -0.842 10.646 285 HA ASP 35 HA ASP 35 -5.977 -3.107 9.755 286 HB2 ASP 35 2HB ASP 35 -5.104 -2.162 12.474 287 HB3 ASP 35 1HB ASP 35 -6.145 -3.573 12.310 288 H GLN 36 H GLN 36 -7.057 -0.103 11.192 289 HA GLN 36 HA GLN 36 -9.806 -1.184 11.211 290 HB2 GLN 36 2HB GLN 36 -10.409 0.469 12.890 291 HB3 GLN 36 1HB GLN 36 -9.071 -0.521 13.450 292 HG2 GLN 36 2HG GLN 36 -8.526 2.130 12.173 293 HG3 GLN 36 1HG GLN 36 -9.073 2.055 13.845 294 HE21 GLN 36 1HE2 GLN 36 -7.176 2.826 14.707 295 HE22 GLN 36 2HE2 GLN 36 -5.709 1.910 14.713 296 H LEU 37 H LEU 37 -7.773 0.941 9.566 297 HA LEU 37 HA LEU 37 -9.922 2.781 8.812 298 HB2 LEU 37 2HB LEU 37 -7.513 3.469 9.394 299 HB3 LEU 37 1HB LEU 37 -7.071 2.838 7.822 300 HG LEU 37 HG LEU 37 -7.424 5.354 8.003 301 HD11 LEU 37 1HD1 LEU 37 -7.329 4.239 5.849 302 HD12 LEU 37 2HD1 LEU 37 -8.514 5.545 5.832 303 HD13 LEU 37 3HD1 LEU 37 -9.050 3.867 5.947 304 HD21 LEU 37 3HD2 LEU 37 -10.326 4.521 8.105 305 HD22 LEU 37 1HD2 LEU 37 -9.730 6.165 7.879 306 HD23 LEU 37 2HD2 LEU 37 -9.424 5.318 9.394 307 H LEU 38 H LEU 38 -11.216 2.231 7.183 308 HA LEU 38 HA LEU 38 -10.841 -0.038 5.581 309 HB2 LEU 38 2HB LEU 38 -12.735 2.286 5.245 310 HB3 LEU 38 1HB LEU 38 -12.825 0.804 4.311 311 HG LEU 38 HG LEU 38 -13.199 1.045 7.304 312 HD11 LEU 38 1HD1 LEU 38 -15.511 0.413 6.830 313 HD12 LEU 38 2HD1 LEU 38 -15.163 0.406 5.101 314 HD13 LEU 38 3HD1 LEU 38 -15.080 1.914 6.013 315 HD21 LEU 38 3HD2 LEU 38 -12.127 -1.071 6.744 316 HD22 LEU 38 1HD2 LEU 38 -13.353 -1.387 5.516 317 HD23 LEU 38 2HD2 LEU 38 -13.804 -1.335 7.220 318 HA PRO 39 HA PRO 39 -8.374 1.189 2.120 319 HB2 PRO 39 2HB PRO 39 -9.590 -0.307 0.138 320 HB3 PRO 39 1HB PRO 39 -8.422 -0.945 1.299 321 HG2 PRO 39 2HG PRO 39 -11.415 -1.070 1.357 322 HG3 PRO 39 1HG PRO 39 -10.234 -2.333 1.753 323 HD2 PRO 39 2HD PRO 39 -11.491 -0.951 3.676 324 HD3 PRO 39 1HD PRO 39 -9.790 -1.435 3.855 325 H SER 40 H SER 40 -11.904 1.308 1.766 326 HA SER 40 HA SER 40 -12.098 2.948 -0.489 327 HB2 SER 40 2HB SER 40 -13.914 2.975 1.941 328 HB3 SER 40 1HB SER 40 -14.327 3.547 0.325 329 HG SER 40 HG SER 40 -14.180 1.441 -0.431 330 H GLN 41 H GLN 41 -11.481 3.756 2.882 331 HA GLN 41 HA GLN 41 -11.512 6.603 2.495 332 HB2 GLN 41 2HB GLN 41 -10.328 4.929 4.722 333 HB3 GLN 41 1HB GLN 41 -10.520 6.676 4.763 334 HG2 GLN 41 2HG GLN 41 -12.797 4.719 4.499 335 HG3 GLN 41 1HG GLN 41 -12.255 5.417 6.023 336 HE21 GLN 41 1HE2 GLN 41 -14.261 6.388 6.366 337 HE22 GLN 41 2HE2 GLN 41 -14.773 7.775 5.474 338 H ILE 42 H ILE 42 -8.944 4.166 2.900 339 HA ILE 42 HA ILE 42 -6.688 5.764 2.671 340 HB ILE 42 HB ILE 42 -7.009 2.980 1.513 341 HG12 ILE 42 2HG1 ILE 42 -6.150 3.833 4.297 342 HG13 ILE 42 1HG1 ILE 42 -7.687 3.080 3.889 343 HG21 ILE 42 1HG2 ILE 42 -4.593 2.782 1.850 344 HG22 ILE 42 2HG2 ILE 42 -4.531 4.445 2.432 345 HG23 ILE 42 3HG2 ILE 42 -4.975 4.113 0.758 346 HD11 ILE 42 3HD1 ILE 42 -6.171 1.472 4.861 347 HD12 ILE 42 1HD1 ILE 42 -4.965 1.820 3.623 348 HD13 ILE 42 2HD1 ILE 42 -6.494 1.062 3.176 349 H TYR 43 H TYR 43 -8.620 4.324 0.065 350 HA TYR 43 HA TYR 43 -7.057 4.996 -2.125 351 HB2 TYR 43 2HB TYR 43 -8.859 3.505 -2.483 352 HB3 TYR 43 1HB TYR 43 -10.034 4.630 -1.810 353 HD1 TYR 43 HD1 TYR 43 -7.710 4.182 -4.706 354 HD2 TYR 43 HD2 TYR 43 -11.247 6.046 -3.222 355 HE1 TYR 43 HE1 TYR 43 -8.202 5.042 -6.958 356 HE2 TYR 43 HE2 TYR 43 -11.745 6.902 -5.469 357 HH TYR 43 HH TYR 43 -10.082 5.839 -8.262 358 H LYS 44 H LYS 44 -9.251 7.064 -0.297 359 HA LYS 44 HA LYS 44 -9.154 9.153 -2.325 360 HB2 LYS 44 2HB LYS 44 -10.432 9.114 0.418 361 HB3 LYS 44 1HB LYS 44 -10.571 10.437 -0.734 362 HG2 LYS 44 2HG LYS 44 -11.618 8.834 -2.341 363 HG3 LYS 44 1HG LYS 44 -11.616 7.626 -1.055 364 HD2 LYS 44 2HD LYS 44 -12.994 10.317 -0.912 365 HD3 LYS 44 1HD LYS 44 -13.792 8.789 -1.286 366 HE2 LYS 44 2HE LYS 44 -12.305 9.359 1.282 367 HE3 LYS 44 1HE LYS 44 -14.051 9.507 1.083 368 HZ1 LYS 44 3HZ LYS 44 -14.163 7.162 0.559 369 HZ2 LYS 44 1HZ LYS 44 -13.437 7.391 2.065 370 HZ3 LYS 44 2HZ LYS 44 -12.490 7.009 0.717 371 H ASN 45 H ASN 45 -7.048 8.177 0.037 372 HA ASN 45 HA ASN 45 -6.416 10.831 1.073 373 HB2 ASN 45 2HB ASN 45 -5.397 8.085 1.802 374 HB3 ASN 45 1HB ASN 45 -4.849 9.575 2.571 375 HD21 ASN 45 1HD2 ASN 45 -6.327 7.254 3.645 376 HD22 ASN 45 2HD2 ASN 45 -7.749 7.918 4.358 377 H TYR 46 H TYR 46 -5.092 8.681 -1.349 378 HA TYR 46 HA TYR 46 -2.383 9.438 -1.156 379 HB2 TYR 46 2HB TYR 46 -2.026 8.483 -3.306 380 HB3 TYR 46 1HB TYR 46 -3.262 7.508 -2.528 381 HD1 TYR 46 HD2 TYR 46 -5.592 7.593 -3.326 382 HD2 TYR 46 HD1 TYR 46 -2.515 9.769 -5.300 383 HE1 TYR 46 HE2 TYR 46 -7.051 7.873 -5.282 384 HE2 TYR 46 HE1 TYR 46 -3.968 10.051 -7.265 385 HH TYR 46 HH TYR 46 -7.297 9.426 -7.189 386 H TYR 47 H TYR 47 -5.096 11.050 -2.666 387 HA TYR 47 HA TYR 47 -3.563 13.008 -4.073 388 HB2 TYR 47 2HB TYR 47 -5.824 12.563 -4.791 389 HB3 TYR 47 1HB TYR 47 -6.463 12.959 -3.199 390 HD1 TYR 47 HD1 TYR 47 -4.928 14.383 -6.256 391 HD2 TYR 47 HD2 TYR 47 -6.898 15.234 -2.573 392 HE1 TYR 47 HE1 TYR 47 -5.241 16.719 -6.964 393 HE2 TYR 47 HE2 TYR 47 -7.215 17.565 -3.276 394 HH TYR 47 HH TYR 47 -6.101 19.172 -4.851 395 H GLN 48 H GLN 48 -4.948 12.828 -0.834 396 HA GLN 48 HA GLN 48 -4.485 15.609 -0.236 397 HB2 GLN 48 2HB GLN 48 -5.120 13.337 1.663 398 HB3 GLN 48 1HB GLN 48 -5.244 15.055 2.016 399 HG2 GLN 48 2HG GLN 48 -6.885 13.585 -0.046 400 HG3 GLN 48 1HG GLN 48 -7.422 13.990 1.581 401 HE21 GLN 48 1HE2 GLN 48 -9.118 15.240 0.859 402 HE22 GLN 48 2HE2 GLN 48 -8.896 16.775 0.102 403 H GLY 49 H GLY 49 -2.851 12.556 0.454 404 HA2 GLY 49 2HA GLY 49 -0.303 13.108 0.413 405 HA3 GLY 49 1HA GLY 49 -0.711 13.977 1.883 406 H ILE 50 H ILE 50 0.791 11.344 0.978 407 HA ILE 50 HA ILE 50 -0.156 9.763 3.289 408 HB ILE 50 HB ILE 50 1.235 8.751 0.793 409 HG12 ILE 50 2HG1 ILE 50 -1.585 8.301 1.823 410 HG13 ILE 50 1HG1 ILE 50 -1.146 9.298 0.442 411 HG21 ILE 50 1HG2 ILE 50 1.971 7.509 2.748 412 HG22 ILE 50 2HG2 ILE 50 0.899 6.507 1.769 413 HG23 ILE 50 3HG2 ILE 50 0.298 7.258 3.248 414 HD11 ILE 50 3HD1 ILE 50 -2.007 7.177 -0.299 415 HD12 ILE 50 1HD1 ILE 50 -0.812 6.317 0.672 416 HD13 ILE 50 2HD1 ILE 50 -0.294 7.294 -0.702 417 H GLU 51 H GLU 51 1.230 9.562 4.919 418 HA GLU 51 HA GLU 51 3.924 10.662 4.633 419 HB2 GLU 51 2HB GLU 51 2.483 9.866 7.172 420 HB3 GLU 51 1HB GLU 51 3.904 10.891 7.031 421 HG2 GLU 51 2HG GLU 51 1.205 11.610 5.901 422 HG3 GLU 51 1HG GLU 51 1.761 12.091 7.503 423 H ILE 52 H ILE 52 5.435 9.179 4.089 424 HA ILE 52 HA ILE 52 5.153 6.399 4.910 425 HB ILE 52 HB ILE 52 7.345 7.690 3.264 426 HG12 ILE 52 2HG1 ILE 52 5.147 7.882 2.171 427 HG13 ILE 52 1HG1 ILE 52 6.182 6.751 1.309 428 HG21 ILE 52 1HG2 ILE 52 6.650 4.775 3.667 429 HG22 ILE 52 2HG2 ILE 52 8.075 5.605 4.294 430 HG23 ILE 52 3HG2 ILE 52 7.872 5.394 2.556 431 HD11 ILE 52 3HD1 ILE 52 4.995 4.884 2.361 432 HD12 ILE 52 1HD1 ILE 52 3.918 5.922 1.430 433 HD13 ILE 52 2HD1 ILE 52 3.944 6.032 3.190 434 H GLN 53 H GLN 53 5.645 6.116 7.028 435 HA GLN 53 HA GLN 53 7.997 7.331 8.221 436 HB2 GLN 53 2HB GLN 53 5.700 6.771 9.350 437 HB3 GLN 53 1HB GLN 53 6.352 5.148 9.492 438 HG2 GLN 53 2HG GLN 53 7.580 7.645 10.662 439 HG3 GLN 53 1HG GLN 53 6.628 6.454 11.544 440 HE21 GLN 53 1HE2 GLN 53 7.528 4.375 11.878 441 HE22 GLN 53 2HE2 GLN 53 9.233 4.127 11.815 442 H GLN 54 H GLN 54 9.919 6.511 7.624 443 HA GLN 54 HA GLN 54 10.228 3.917 6.508 444 HB2 GLN 54 2HB GLN 54 12.642 4.455 6.448 445 HB3 GLN 54 1HB GLN 54 11.639 5.723 5.760 446 HG2 GLN 54 2HG GLN 54 11.864 7.015 7.837 447 HG3 GLN 54 1HG GLN 54 12.892 5.747 8.505 448 HE21 GLN 54 1HE2 GLN 54 14.671 7.120 8.720 449 HE22 GLN 54 2HE2 GLN 54 15.560 7.693 7.353 450 H HIS 55 H HIS 55 10.496 2.031 7.476 451 HA HIS 55 HA HIS 55 11.567 1.979 10.232 452 HB2 HIS 55 2HB HIS 55 9.124 1.376 9.989 453 HB3 HIS 55 1HB HIS 55 9.624 -0.019 9.043 454 HD1 HIS 55 HD1 HIS 55 8.649 -1.649 10.782 455 HD2 HIS 55 HD2 HIS 55 11.608 0.832 12.307 456 HE1 HIS 55 HE1 HIS 55 9.246 -2.615 13.012 457 HE2 HIS 55 HE2 HIS 55 10.916 -1.010 13.985 458 H LYS 56 H LYS 56 12.375 1.316 7.144 459 HA LYS 56 HA LYS 56 14.417 -0.616 7.985 460 HB2 LYS 56 2HB LYS 56 12.574 -0.925 5.622 461 HB3 LYS 56 1HB LYS 56 14.175 -1.648 5.615 462 HG2 LYS 56 2HG LYS 56 13.476 -2.773 7.808 463 HG3 LYS 56 1HG LYS 56 11.829 -2.303 7.368 464 HD2 LYS 56 2HD LYS 56 12.074 -3.491 5.226 465 HD3 LYS 56 1HD LYS 56 13.710 -3.970 5.682 466 HE2 LYS 56 2HE LYS 56 11.137 -4.766 7.047 467 HE3 LYS 56 1HE LYS 56 12.181 -5.801 6.075 468 HZ1 LYS 56 3HZ LYS 56 12.795 -4.606 8.719 469 HZ2 LYS 56 1HZ LYS 56 13.945 -5.396 7.762 470 HZ3 LYS 56 2HZ LYS 56 12.608 -6.243 8.347 471 H TYR 57 H TYR 57 15.844 -0.949 5.775 472 HA TYR 57 HA TYR 57 17.287 1.366 5.255 473 HB2 TYR 57 2HB TYR 57 16.997 -1.276 3.861 474 HB3 TYR 57 1HB TYR 57 17.936 0.003 3.093 475 HD1 TYR 57 HD2 TYR 57 17.680 -1.082 6.675 476 HD2 TYR 57 HD1 TYR 57 20.178 -0.559 3.265 477 HE1 TYR 57 HE2 TYR 57 19.643 -1.707 8.019 478 HE2 TYR 57 HE1 TYR 57 22.144 -1.181 4.602 479 HH TYR 57 HH TYR 57 22.874 -1.286 6.864 480 H GLN 58 H GLN 58 16.497 3.193 4.395 481 HA GLN 58 HA GLN 58 14.848 2.994 1.952 482 HB2 GLN 58 2HB GLN 58 14.863 4.997 4.192 483 HB3 GLN 58 1HB GLN 58 14.266 5.460 2.599 484 HG2 GLN 58 2HG GLN 58 13.228 3.177 4.280 485 HG3 GLN 58 1HG GLN 58 12.460 4.753 4.090 486 HE21 GLN 58 1HE2 GLN 58 13.251 1.745 2.513 487 HE22 GLN 58 2HE2 GLN 58 12.168 1.935 1.186 488 H ASN 59 H ASN 59 17.884 3.117 2.448 489 HA ASN 59 HA ASN 59 18.582 5.390 0.752 490 HB2 ASN 59 2HB ASN 59 20.057 4.785 2.641 491 HB3 ASN 59 1HB ASN 59 20.320 3.201 1.926 492 HD21 ASN 59 1HD2 ASN 59 20.152 6.218 0.124 493 HD22 ASN 59 2HD2 ASN 59 21.807 6.211 -0.367 494 H GLU 60 H GLU 60 18.750 1.827 0.640 495 HA GLU 60 HA GLU 60 19.599 1.689 -2.080 496 HB2 GLU 60 2HB GLU 60 18.353 -0.388 -0.265 497 HB3 GLU 60 1HB GLU 60 18.957 -0.738 -1.878 498 HG2 GLU 60 2HG GLU 60 20.618 0.339 0.395 499 HG3 GLU 60 1HG GLU 60 20.543 -1.352 -0.100 500 H LEU 61 H LEU 61 16.432 1.382 -0.508 501 HA LEU 61 HA LEU 61 15.172 1.606 -3.160 502 HB2 LEU 61 2HB LEU 61 13.330 0.176 -2.404 503 HB3 LEU 61 1HB LEU 61 14.860 -0.675 -2.408 504 HG LEU 61 HG LEU 61 13.743 0.501 0.138 505 HD11 LEU 61 1HD1 LEU 61 12.011 -0.952 -0.789 506 HD12 LEU 61 2HD1 LEU 61 12.757 -1.687 0.629 507 HD13 LEU 61 3HD1 LEU 61 13.191 -2.250 -0.984 508 HD21 LEU 61 3HD2 LEU 61 15.113 -1.277 1.167 509 HD22 LEU 61 1HD2 LEU 61 16.084 -0.175 0.197 510 HD23 LEU 61 2HD2 LEU 61 15.666 -1.765 -0.436 511 H ASP 62 H ASP 62 13.398 2.906 -3.333 512 HA ASP 62 HA ASP 62 12.841 4.672 -1.035 513 HB2 ASP 62 2HB ASP 62 13.880 5.786 -2.939 514 HB3 ASP 62 1HB ASP 62 12.652 5.147 -4.021 515 H ILE 63 H ILE 63 10.950 4.143 -0.068 516 HA ILE 63 HA ILE 63 8.842 2.840 -1.628 517 HB ILE 63 HB ILE 63 9.132 3.215 1.360 518 HG12 ILE 63 2HG1 ILE 63 9.315 0.710 -0.339 519 HG13 ILE 63 1HG1 ILE 63 10.701 1.600 0.278 520 HG21 ILE 63 1HG2 ILE 63 6.770 3.200 0.754 521 HG22 ILE 63 2HG2 ILE 63 7.203 1.699 1.572 522 HG23 ILE 63 3HG2 ILE 63 7.001 1.720 -0.180 523 HD11 ILE 63 3HD1 ILE 63 9.948 1.134 2.572 524 HD12 ILE 63 1HD1 ILE 63 10.266 -0.333 1.647 525 HD13 ILE 63 2HD1 ILE 63 8.605 0.194 1.918 526 H LYS 64 H LYS 64 7.724 4.388 -2.723 527 HA LYS 64 HA LYS 64 6.151 6.249 -1.044 528 HB2 LYS 64 2HB LYS 64 6.999 6.708 -3.921 529 HB3 LYS 64 1HB LYS 64 6.013 7.792 -2.949 530 HG2 LYS 64 2HG LYS 64 8.907 7.087 -2.473 531 HG3 LYS 64 1HG LYS 64 8.280 8.615 -3.096 532 HD2 LYS 64 2HD LYS 64 7.124 9.014 -0.974 533 HD3 LYS 64 1HD LYS 64 7.719 7.474 -0.350 534 HE2 LYS 64 2HE LYS 64 10.047 8.326 -0.693 535 HE3 LYS 64 1HE LYS 64 9.356 9.894 -1.105 536 HZ1 LYS 64 3HZ LYS 64 8.270 9.867 1.117 537 HZ2 LYS 64 1HZ LYS 64 9.961 9.929 1.178 538 HZ3 LYS 64 2HZ LYS 64 9.159 8.475 1.489 539 H ILE 65 H ILE 65 3.923 6.557 -1.736 540 HA ILE 65 HA ILE 65 2.919 4.202 -3.209 541 HB ILE 65 HB ILE 65 1.440 5.981 -1.250 542 HG12 ILE 65 2HG1 ILE 65 2.509 3.153 -0.954 543 HG13 ILE 65 1HG1 ILE 65 3.157 4.588 -0.164 544 HG21 ILE 65 1HG2 ILE 65 -0.056 5.054 -2.942 545 HG22 ILE 65 2HG2 ILE 65 -0.339 4.287 -1.380 546 HG23 ILE 65 3HG2 ILE 65 0.566 3.432 -2.630 547 HD11 ILE 65 3HD1 ILE 65 1.813 3.278 1.364 548 HD12 ILE 65 1HD1 ILE 65 0.425 3.407 0.284 549 HD13 ILE 65 2HD1 ILE 65 1.068 4.848 1.071 550 H ILE 66 H ILE 66 1.765 4.426 -5.045 551 HA ILE 66 HA ILE 66 1.399 7.130 -6.122 552 HB ILE 66 HB ILE 66 1.223 4.441 -7.503 553 HG12 ILE 66 2HG1 ILE 66 3.370 6.585 -7.562 554 HG13 ILE 66 1HG1 ILE 66 3.508 4.991 -6.824 555 HG21 ILE 66 1HG2 ILE 66 -0.230 6.071 -8.591 556 HG22 ILE 66 2HG2 ILE 66 1.171 5.725 -9.603 557 HG23 ILE 66 3HG2 ILE 66 1.100 7.227 -8.679 558 HD11 ILE 66 3HD1 ILE 66 3.265 3.964 -9.036 559 HD12 ILE 66 1HD1 ILE 66 4.650 5.050 -8.947 560 HD13 ILE 66 2HD1 ILE 66 3.176 5.572 -9.759 561 H ASN 67 H ASN 67 -0.490 4.100 -6.394 562 HA ASN 67 HA ASN 67 -2.966 5.550 -5.846 563 HB2 ASN 67 2HB ASN 67 -2.486 5.838 -8.282 564 HB3 ASN 67 1HB ASN 67 -2.511 4.089 -8.465 565 HD21 ASN 67 1HD2 ASN 67 -4.193 4.303 -9.972 566 HD22 ASN 67 2HD2 ASN 67 -5.814 4.632 -9.472 567 H PHE 68 H PHE 68 -4.874 4.044 -5.797 568 HA PHE 68 HA PHE 68 -4.057 1.347 -4.896 569 HB2 PHE 68 2HB PHE 68 -6.340 3.045 -3.844 570 HB3 PHE 68 1HB PHE 68 -5.903 1.436 -3.275 571 HD1 PHE 68 HD2 PHE 68 -3.900 1.091 -1.919 572 HD2 PHE 68 HD1 PHE 68 -5.041 4.987 -3.223 573 HE1 PHE 68 HE2 PHE 68 -2.355 2.095 -0.287 574 HE2 PHE 68 HE1 PHE 68 -3.498 5.987 -1.595 575 HZ PHE 68 HZ PHE 68 -2.151 4.543 -0.124 576 H LEU 69 H LEU 69 -5.121 -0.384 -5.731 577 HA LEU 69 HA LEU 69 -7.637 0.020 -7.174 578 HB2 LEU 69 2HB LEU 69 -6.873 -1.189 -9.149 579 HB3 LEU 69 1HB LEU 69 -5.945 0.274 -8.901 580 HG LEU 69 HG LEU 69 -4.934 -2.457 -8.080 581 HD11 LEU 69 1HD1 LEU 69 -4.402 -0.968 -10.654 582 HD12 LEU 69 2HD1 LEU 69 -5.354 -2.444 -10.492 583 HD13 LEU 69 3HD1 LEU 69 -3.627 -2.467 -10.138 584 HD21 LEU 69 3HD2 LEU 69 -2.748 -1.354 -8.104 585 HD22 LEU 69 1HD2 LEU 69 -3.847 -0.554 -6.983 586 HD23 LEU 69 2HD2 LEU 69 -3.511 0.170 -8.555 587 H TYR 70 H TYR 70 -8.694 -2.043 -7.789 588 HA TYR 70 HA TYR 70 -8.531 -3.895 -5.569 589 HB2 TYR 70 2HB TYR 70 -10.385 -3.956 -7.967 590 HB3 TYR 70 1HB TYR 70 -10.580 -4.859 -6.467 591 HD1 TYR 70 HD1 TYR 70 -10.460 -3.208 -4.291 592 HD2 TYR 70 HD2 TYR 70 -11.766 -2.112 -8.191 593 HE1 TYR 70 HE1 TYR 70 -11.758 -1.354 -3.327 594 HE2 TYR 70 HE2 TYR 70 -13.067 -0.251 -7.242 595 HH TYR 70 HH TYR 70 -12.721 0.755 -3.958 596 HA PRO 71 HA PRO 71 -5.655 -6.787 -7.261 597 HB2 PRO 71 2HB PRO 71 -7.583 -8.779 -6.099 598 HB3 PRO 71 1HB PRO 71 -5.820 -8.706 -5.958 599 HG2 PRO 71 2HG PRO 71 -7.327 -7.873 -3.950 600 HG3 PRO 71 1HG PRO 71 -5.887 -6.948 -4.421 601 HD2 PRO 71 2HD PRO 71 -8.773 -6.349 -4.920 602 HD3 PRO 71 1HD PRO 71 -7.429 -5.235 -4.591 603 H ASP 72 H ASP 72 -8.985 -8.083 -7.560 604 HA ASP 72 HA ASP 72 -8.349 -9.225 -10.169 605 HB2 ASP 72 2HB ASP 72 -10.895 -9.345 -8.530 606 HB3 ASP 72 1HB ASP 72 -10.561 -10.286 -9.983 607 H GLY 73 H GLY 73 -9.291 -6.225 -9.217 608 HA2 GLY 73 2HA GLY 73 -10.278 -4.473 -10.396 609 HA3 GLY 73 1HA GLY 73 -10.730 -5.605 -11.664 610 H ASP 74 H ASP 74 -12.170 -7.471 -10.166 611 HA ASP 74 HA ASP 74 -14.703 -6.270 -9.814 612 HB2 ASP 74 2HB ASP 74 -13.729 -8.925 -8.724 613 HB3 ASP 74 1HB ASP 74 -15.407 -8.451 -8.974 614 H PHE 75 H PHE 75 -15.427 -5.076 -8.120 615 HA PHE 75 HA PHE 75 -14.010 -4.779 -5.693 616 HB2 PHE 75 2HB PHE 75 -16.006 -3.548 -4.891 617 HB3 PHE 75 1HB PHE 75 -15.481 -3.015 -6.482 618 HD1 PHE 75 HD1 PHE 75 -16.839 -3.455 -8.460 619 HD2 PHE 75 HD2 PHE 75 -18.123 -4.712 -4.593 620 HE1 PHE 75 HE1 PHE 75 -19.111 -3.825 -9.333 621 HE2 PHE 75 HE2 PHE 75 -20.389 -5.084 -5.468 622 HZ PHE 75 HZ PHE 75 -20.886 -4.645 -7.837 623 H GLY 76 H GLY 76 -16.634 -6.916 -6.662 624 HA2 GLY 76 2HA GLY 76 -17.391 -7.936 -4.166 625 HA3 GLY 76 1HA GLY 76 -17.470 -8.819 -5.683 626 H SER 77 H SER 77 -14.838 -9.091 -6.369 627 HA SER 77 HA SER 77 -13.891 -11.176 -4.733 628 HB2 SER 77 2HB SER 77 -12.343 -9.509 -6.741 629 HB3 SER 77 1HB SER 77 -11.831 -11.065 -6.087 630 HG SER 77 HG SER 77 -12.869 -11.810 -7.768 631 H ALA 78 H ALA 78 -13.024 -7.745 -4.891 632 HA ALA 78 HA ALA 78 -10.843 -7.764 -3.129 633 HB1 ALA 78 3HB ALA 78 -11.406 -5.852 -4.551 634 HB2 ALA 78 1HB ALA 78 -11.245 -5.369 -2.861 635 HB3 ALA 78 2HB ALA 78 -12.846 -5.548 -3.580 636 H ASN 79 H ASN 79 -14.279 -7.043 -2.387 637 HA ASN 79 HA ASN 79 -13.981 -6.751 0.383 638 HB2 ASN 79 2HB ASN 79 -16.385 -7.668 -1.210 639 HB3 ASN 79 1HB ASN 79 -16.438 -7.277 0.505 640 HD21 ASN 79 1HD2 ASN 79 -17.832 -5.587 0.307 641 HD22 ASN 79 2HD2 ASN 79 -17.415 -4.099 -0.476 642 H LYS 80 H LYS 80 -14.614 -9.688 -1.523 643 HA LYS 80 HA LYS 80 -15.167 -11.286 0.795 644 HB2 LYS 80 2HB LYS 80 -15.542 -13.083 -0.661 645 HB3 LYS 80 1HB LYS 80 -16.054 -11.671 -1.571 646 HG2 LYS 80 2HG LYS 80 -13.948 -11.705 -2.815 647 HG3 LYS 80 1HG LYS 80 -13.418 -13.109 -1.883 648 HD2 LYS 80 2HD LYS 80 -15.476 -14.310 -2.735 649 HD3 LYS 80 1HD LYS 80 -15.726 -12.946 -3.826 650 HE2 LYS 80 2HE LYS 80 -14.562 -14.758 -4.965 651 HE3 LYS 80 1HE LYS 80 -13.521 -13.343 -4.821 652 HZ1 LYS 80 3HZ LYS 80 -12.346 -15.399 -4.300 653 HZ2 LYS 80 1HZ LYS 80 -13.432 -15.722 -3.045 654 HZ3 LYS 80 2HZ LYS 80 -12.412 -14.380 -2.953 655 H ASN 81 H ASN 81 -12.299 -10.624 -1.106 656 HA ASN 81 HA ASN 81 -10.757 -12.688 0.270 657 HB2 ASN 81 2HB ASN 81 -9.912 -10.662 -1.820 658 HB3 ASN 81 1HB ASN 81 -8.895 -11.955 -1.188 659 HD21 ASN 81 1HD2 ASN 81 -9.717 -11.488 -3.915 660 HD22 ASN 81 2HD2 ASN 81 -10.561 -12.905 -4.419 661 H GLY 82 H GLY 82 -11.353 -9.280 0.472 662 HA2 GLY 82 2HA GLY 82 -10.739 -7.732 2.057 663 HA3 GLY 82 1HA GLY 82 -10.002 -9.038 2.972 664 H THR 83 H THR 83 -9.019 -8.499 -0.303 665 HA THR 83 HA THR 83 -6.375 -7.610 0.666 666 HB THR 83 HB THR 83 -5.484 -8.515 -1.486 667 HG1 THR 83 HG1 THR 83 -7.025 -10.027 -2.559 668 HG21 THR 83 3HG2 THR 83 -7.042 -10.501 0.183 669 HG22 THR 83 1HG2 THR 83 -5.420 -9.899 0.532 670 HG23 THR 83 2HG2 THR 83 -5.704 -10.893 -0.898 671 H LEU 84 H LEU 84 -5.200 -6.043 -0.512 672 HA LEU 84 HA LEU 84 -6.667 -4.514 -2.562 673 HB2 LEU 84 2HB LEU 84 -6.847 -3.376 -0.344 674 HB3 LEU 84 1HB LEU 84 -5.097 -3.278 -0.288 675 HG LEU 84 HG LEU 84 -5.138 -1.845 -2.322 676 HD11 LEU 84 1HD1 LEU 84 -8.132 -1.936 -1.962 677 HD12 LEU 84 2HD1 LEU 84 -7.218 -2.614 -3.309 678 HD13 LEU 84 3HD1 LEU 84 -7.258 -0.869 -3.062 679 HD21 LEU 84 3HD2 LEU 84 -5.043 -0.825 -0.110 680 HD22 LEU 84 1HD2 LEU 84 -6.804 -0.835 -0.013 681 HD23 LEU 84 2HD2 LEU 84 -5.992 0.170 -1.214 682 H LYS 85 H LYS 85 -5.378 -3.619 -4.197 683 HA LYS 85 HA LYS 85 -2.626 -4.595 -4.322 684 HB2 LYS 85 2HB LYS 85 -4.639 -3.687 -6.296 685 HB3 LYS 85 1HB LYS 85 -2.985 -3.235 -6.667 686 HG2 LYS 85 2HG LYS 85 -3.922 -6.055 -6.144 687 HG3 LYS 85 1HG LYS 85 -3.677 -5.342 -7.739 688 HD2 LYS 85 2HD LYS 85 -1.271 -4.826 -6.810 689 HD3 LYS 85 1HD LYS 85 -1.649 -6.116 -5.668 690 HE2 LYS 85 2HE LYS 85 -1.755 -6.370 -8.680 691 HE3 LYS 85 1HE LYS 85 -0.420 -6.913 -7.668 692 HZ1 LYS 85 3HZ LYS 85 -1.845 -8.508 -6.631 693 HZ2 LYS 85 1HZ LYS 85 -1.968 -8.695 -8.302 694 HZ3 LYS 85 2HZ LYS 85 -3.204 -7.927 -7.447 695 H LEU 86 H LEU 86 -1.154 -3.360 -3.346 696 HA LEU 86 HA LEU 86 -1.398 -0.452 -3.274 697 HB2 LEU 86 2HB LEU 86 0.725 -2.246 -2.076 698 HB3 LEU 86 1HB LEU 86 0.573 -0.525 -1.803 699 HG LEU 86 HG LEU 86 -0.260 -1.550 0.142 700 HD11 LEU 86 1HD1 LEU 86 -1.654 0.278 -0.631 701 HD12 LEU 86 2HD1 LEU 86 -2.616 -0.937 0.210 702 HD13 LEU 86 3HD1 LEU 86 -2.652 -0.850 -1.551 703 HD21 LEU 86 3HD2 LEU 86 -1.918 -3.326 0.185 704 HD22 LEU 86 1HD2 LEU 86 -0.496 -3.822 -0.731 705 HD23 LEU 86 2HD2 LEU 86 -1.969 -3.347 -1.579 706 H SER 87 H SER 87 -0.566 0.735 -4.893 707 HA SER 87 HA SER 87 1.565 -0.351 -6.585 708 HB2 SER 87 2HB SER 87 -0.400 0.708 -7.660 709 HB3 SER 87 1HB SER 87 -0.008 2.232 -6.860 710 HG SER 87 HG SER 87 0.806 1.569 -9.174 711 H LEU 88 H LEU 88 3.550 -0.125 -5.685 712 HA LEU 88 HA LEU 88 4.253 2.398 -4.343 713 HB2 LEU 88 2HB LEU 88 5.521 -0.338 -4.303 714 HB3 LEU 88 1HB LEU 88 6.337 1.075 -3.666 715 HG LEU 88 HG LEU 88 4.410 1.389 -2.083 716 HD11 LEU 88 1HD1 LEU 88 2.947 -0.544 -1.668 717 HD12 LEU 88 2HD1 LEU 88 3.612 -1.342 -3.095 718 HD13 LEU 88 3HD1 LEU 88 2.695 0.155 -3.266 719 HD21 LEU 88 3HD2 LEU 88 5.138 -0.360 -0.544 720 HD22 LEU 88 1HD2 LEU 88 6.515 0.350 -1.385 721 HD23 LEU 88 2HD2 LEU 88 5.904 -1.231 -1.873 722 H MET 89 H MET 89 5.847 3.724 -5.028 723 HA MET 89 HA MET 89 7.154 3.122 -7.598 724 HB2 MET 89 2HB MET 89 5.857 5.177 -7.606 725 HB3 MET 89 1HB MET 89 6.685 5.752 -6.168 726 HG2 MET 89 2HG MET 89 8.766 5.924 -7.400 727 HG3 MET 89 1HG MET 89 7.991 5.260 -8.838 728 HE1 MET 89 3HE MET 89 6.282 7.789 -6.338 729 HE2 MET 89 1HE MET 89 6.792 9.336 -7.014 730 HE3 MET 89 2HE MET 89 7.980 8.259 -6.278 731 H LEU 90 H LEU 90 9.040 2.103 -7.188 732 HA LEU 90 HA LEU 90 10.767 2.910 -4.989 733 HB2 LEU 90 2HB LEU 90 11.073 0.746 -7.080 734 HB3 LEU 90 1HB LEU 90 12.228 1.045 -5.797 735 HG LEU 90 HG LEU 90 10.884 -0.853 -5.193 736 HD11 LEU 90 1HD1 LEU 90 9.926 -0.119 -3.060 737 HD12 LEU 90 2HD1 LEU 90 10.039 1.559 -3.590 738 HD13 LEU 90 3HD1 LEU 90 11.505 0.608 -3.358 739 HD21 LEU 90 3HD2 LEU 90 8.939 -0.425 -6.604 740 HD22 LEU 90 1HD2 LEU 90 8.455 0.907 -5.553 741 HD23 LEU 90 2HD2 LEU 90 8.454 -0.747 -4.939 742 H THR 91 H THR 91 11.673 4.876 -5.462 743 HA THR 91 HA THR 91 13.008 5.282 -8.040 744 HB THR 91 HB THR 91 12.814 7.230 -5.725 745 HG1 THR 91 HG1 THR 91 10.763 7.223 -6.302 746 HG21 THR 91 3HG2 THR 91 13.267 8.920 -7.458 747 HG22 THR 91 1HG2 THR 91 13.451 7.635 -8.653 748 HG23 THR 91 2HG2 THR 91 14.590 7.763 -7.312 749 H ASP 92 H ASP 92 14.990 4.417 -8.211 750 HA ASP 92 HA ASP 92 16.671 3.677 -6.085 751 HB2 ASP 92 2HB ASP 92 16.706 2.761 -8.435 752 HB3 ASP 92 1HB ASP 92 17.528 4.232 -8.939 753 H LYS 93 H LYS 93 18.169 4.764 -4.910 754 HA LYS 93 HA LYS 93 18.269 7.647 -5.226 755 HB2 LYS 93 2HB LYS 93 19.155 5.756 -3.058 756 HB3 LYS 93 1HB LYS 93 19.557 7.466 -3.009 757 HG2 LYS 93 2HG LYS 93 16.736 6.431 -3.224 758 HG3 LYS 93 1HG LYS 93 17.534 6.801 -1.693 759 HD2 LYS 93 2HD LYS 93 17.856 9.118 -2.404 760 HD3 LYS 93 1HD LYS 93 17.102 8.760 -3.959 761 HE2 LYS 93 2HE LYS 93 15.730 8.481 -1.283 762 HE3 LYS 93 1HE LYS 93 15.590 9.889 -2.334 763 HZ1 LYS 93 3HZ LYS 93 13.745 8.299 -2.566 764 HZ2 LYS 93 1HZ LYS 93 14.835 7.134 -3.134 765 HZ3 LYS 93 2HZ LYS 93 14.580 8.553 -4.017 766 H LYS 94 H LYS 94 20.342 5.081 -6.160 767 HA LYS 94 HA LYS 94 22.628 6.955 -6.246 768 HB2 LYS 94 2HB LYS 94 24.105 4.927 -6.322 769 HB3 LYS 94 1HB LYS 94 23.262 5.189 -4.808 770 HG2 LYS 94 2HG LYS 94 22.200 3.296 -6.884 771 HG3 LYS 94 1HG LYS 94 23.421 2.799 -5.710 772 HD2 LYS 94 2HD LYS 94 21.855 3.568 -3.894 773 HD3 LYS 94 1HD LYS 94 20.626 3.807 -5.141 774 HE2 LYS 94 2HE LYS 94 20.297 1.657 -4.094 775 HE3 LYS 94 1HE LYS 94 20.843 1.416 -5.754 776 HZ1 LYS 94 3HZ LYS 94 23.123 1.130 -4.830 777 HZ2 LYS 94 1HZ LYS 94 22.032 -0.072 -4.354 778 HZ3 LYS 94 2HZ LYS 94 22.458 1.159 -3.278 779 H ASN 95 H ASN 95 20.427 5.305 -8.175 780 HA ASN 95 HA ASN 95 22.107 5.806 -10.556 781 HB2 ASN 95 2HB ASN 95 19.966 3.692 -10.206 782 HB3 ASN 95 1HB ASN 95 20.828 4.023 -11.708 783 HD21 ASN 95 1HD2 ASN 95 21.027 2.651 -8.538 784 HD22 ASN 95 2HD2 ASN 95 22.542 1.852 -8.763 785 H ASN 96 H ASN 96 19.415 6.804 -8.856 786 HA ASN 96 HA ASN 96 17.596 8.094 -9.278 787 HB2 ASN 96 2HB ASN 96 19.302 9.036 -11.600 788 HB3 ASN 96 1HB ASN 96 17.897 9.880 -10.955 789 HD21 ASN 96 1HD2 ASN 96 21.217 9.081 -10.463 790 HD22 ASN 96 2HD2 ASN 96 21.480 10.113 -9.104 791 H GLN 97 H GLN 97 17.346 5.510 -10.230 792 HA GLN 97 HA GLN 97 15.753 5.818 -12.698 793 HB2 GLN 97 2HB GLN 97 16.936 3.325 -11.437 794 HB3 GLN 97 1HB GLN 97 15.916 3.333 -12.869 795 HG2 GLN 97 2HG GLN 97 18.592 4.701 -12.639 796 HG3 GLN 97 1HG GLN 97 18.307 3.137 -13.399 797 HE21 GLN 97 1HE2 GLN 97 17.912 6.575 -13.695 798 HE22 GLN 97 2HE2 GLN 97 17.448 6.576 -15.360 799 H VAL 98 H VAL 98 13.896 3.959 -12.647 800 HA VAL 98 HA VAL 98 12.556 4.069 -10.034 801 HB VAL 98 HB VAL 98 11.753 6.018 -11.272 802 HG11 VAL 98 1HG1 VAL 98 10.769 4.052 -13.347 803 HG12 VAL 98 2HG1 VAL 98 12.095 5.196 -13.555 804 HG13 VAL 98 3HG1 VAL 98 10.449 5.788 -13.326 805 HG21 VAL 98 3HG2 VAL 98 9.343 5.581 -11.089 806 HG22 VAL 98 1HG2 VAL 98 10.230 4.900 -9.725 807 HG23 VAL 98 2HG2 VAL 98 9.662 3.847 -11.022 808 H TYR 99 H TYR 99 11.267 2.390 -9.542 809 HA TYR 99 HA TYR 99 10.435 0.489 -11.629 810 HB2 TYR 99 2HB TYR 99 12.352 -0.588 -10.665 811 HB3 TYR 99 1HB TYR 99 11.838 -0.184 -9.031 812 HD1 TYR 99 HD2 TYR 99 10.701 -2.138 -12.018 813 HD2 TYR 99 HD1 TYR 99 10.731 -1.804 -7.770 814 HE1 TYR 99 HE2 TYR 99 9.559 -4.311 -11.840 815 HE2 TYR 99 HE1 TYR 99 9.589 -3.969 -7.587 816 HH TYR 99 HH TYR 99 9.208 -6.083 -10.271 817 H TYR 100 H TYR 100 8.369 -0.362 -11.312 818 HA TYR 100 HA TYR 100 6.898 0.757 -9.004 819 HB2 TYR 100 2HB TYR 100 5.817 -0.095 -11.705 820 HB3 TYR 100 1HB TYR 100 4.878 0.617 -10.394 821 HD1 TYR 100 HD2 TYR 100 5.714 2.963 -9.549 822 HD2 TYR 100 HD1 TYR 100 6.699 1.319 -13.355 823 HE1 TYR 100 HE2 TYR 100 6.242 5.214 -10.385 824 HE2 TYR 100 HE1 TYR 100 7.230 3.569 -14.193 825 HH TYR 100 HH TYR 100 7.685 6.223 -12.198 826 H LYS 101 H LYS 101 6.318 -0.620 -7.468 827 HA LYS 101 HA LYS 101 6.155 -3.508 -8.100 828 HB2 LYS 101 2HB LYS 101 7.961 -2.922 -6.549 829 HB3 LYS 101 1HB LYS 101 6.817 -2.113 -5.494 830 HG2 LYS 101 2HG LYS 101 7.156 -4.120 -4.410 831 HG3 LYS 101 1HG LYS 101 5.679 -4.436 -5.316 832 HD2 LYS 101 2HD LYS 101 8.417 -5.190 -6.346 833 HD3 LYS 101 1HD LYS 101 7.455 -6.264 -5.334 834 HE2 LYS 101 2HE LYS 101 5.645 -6.168 -7.021 835 HE3 LYS 101 1HE LYS 101 6.685 -5.174 -8.042 836 HZ1 LYS 101 3HZ LYS 101 7.338 -7.923 -7.136 837 HZ2 LYS 101 1HZ LYS 101 8.239 -6.980 -8.213 838 HZ3 LYS 101 2HZ LYS 101 6.703 -7.538 -8.651 839 H LEU 102 H LEU 102 4.222 -4.483 -7.913 840 HA LEU 102 HA LEU 102 2.043 -3.089 -6.520 841 HB2 LEU 102 2HB LEU 102 2.030 -5.342 -8.534 842 HB3 LEU 102 1HB LEU 102 0.593 -4.816 -7.684 843 HG LEU 102 HG LEU 102 0.593 -3.862 -9.888 844 HD11 LEU 102 1HD1 LEU 102 -0.315 -2.474 -8.121 845 HD12 LEU 102 2HD1 LEU 102 0.436 -1.483 -9.371 846 HD13 LEU 102 3HD1 LEU 102 1.272 -1.756 -7.841 847 HD21 LEU 102 3HD2 LEU 102 2.340 -2.352 -10.685 848 HD22 LEU 102 1HD2 LEU 102 2.976 -3.966 -10.375 849 HD23 LEU 102 2HD2 LEU 102 3.283 -2.662 -9.227 850 H LEU 103 H LEU 103 1.756 -3.651 -4.464 851 HA LEU 103 HA LEU 103 2.311 -6.401 -3.580 852 HB2 LEU 103 2HB LEU 103 1.741 -3.869 -2.023 853 HB3 LEU 103 1HB LEU 103 1.997 -5.440 -1.287 854 HG LEU 103 HG LEU 103 4.064 -4.008 -2.969 855 HD11 LEU 103 1HD1 LEU 103 5.189 -3.494 -0.864 856 HD12 LEU 103 2HD1 LEU 103 3.847 -4.201 0.037 857 HD13 LEU 103 3HD1 LEU 103 3.594 -2.746 -0.928 858 HD21 LEU 103 3HD2 LEU 103 5.610 -5.654 -2.029 859 HD22 LEU 103 1HD2 LEU 103 4.310 -6.448 -2.919 860 HD23 LEU 103 2HD2 LEU 103 4.281 -6.418 -1.154 861 H GLU 104 H GLU 104 0.735 -7.632 -2.415 862 HA GLU 104 HA GLU 104 -1.990 -6.557 -2.298 863 HB2 GLU 104 2HB GLU 104 -2.930 -8.666 -3.227 864 HB3 GLU 104 1HB GLU 104 -1.991 -7.748 -4.393 865 HG2 GLU 104 2HG GLU 104 -0.056 -9.285 -3.878 866 HG3 GLU 104 1HG GLU 104 -1.191 -10.275 -2.964 867 H VAL 105 H VAL 105 -2.407 -6.595 -0.202 868 HA VAL 105 HA VAL 105 -1.788 -9.035 1.348 869 HB VAL 105 HB VAL 105 -1.242 -7.688 3.292 870 HG11 VAL 105 1HG1 VAL 105 0.281 -6.756 0.848 871 HG12 VAL 105 2HG1 VAL 105 0.595 -8.224 1.776 872 HG13 VAL 105 3HG1 VAL 105 0.848 -6.644 2.515 873 HG21 VAL 105 3HG2 VAL 105 -1.742 -5.276 1.533 874 HG22 VAL 105 1HG2 VAL 105 -1.071 -5.234 3.164 875 HG23 VAL 105 2HG2 VAL 105 -2.725 -5.788 2.907 876 H SER 106 H SER 106 -3.255 -9.598 2.995 877 HA SER 106 HA SER 106 -5.918 -8.360 2.742 878 HB2 SER 106 2HB SER 106 -6.785 -10.454 3.748 879 HB3 SER 106 1HB SER 106 -5.866 -10.763 2.276 880 HG SER 106 HG SER 106 -5.341 -12.203 3.996 881 H GLY 107 H GLY 107 -7.153 -7.838 4.574 882 HA2 GLY 107 2HA GLY 107 -6.951 -8.133 7.175 883 HA3 GLY 107 1HA GLY 107 -5.523 -7.139 6.926 884 H PHE 108 H PHE 108 -7.146 -5.769 4.680 885 HA PHE 108 HA PHE 108 -8.077 -3.574 6.253 886 HB2 PHE 108 2HB PHE 108 -8.479 -4.131 3.302 887 HB3 PHE 108 1HB PHE 108 -8.744 -2.586 4.099 888 HD1 PHE 108 HD2 PHE 108 -6.768 -1.415 5.154 889 HD2 PHE 108 HD1 PHE 108 -6.335 -4.737 2.523 890 HE1 PHE 108 HE2 PHE 108 -4.421 -0.793 4.756 891 HE2 PHE 108 HE1 PHE 108 -3.987 -4.118 2.123 892 HZ PHE 108 HZ PHE 108 -3.030 -2.140 3.238 893 H LYS 109 H LYS 109 -9.645 -6.280 4.675 894 HA LYS 109 HA LYS 109 -12.081 -5.835 6.177 895 HB2 LYS 109 2HB LYS 109 -12.153 -4.531 3.885 896 HB3 LYS 109 1HB LYS 109 -12.415 -6.124 3.194 897 HG2 LYS 109 2HG LYS 109 -14.538 -5.070 3.503 898 HG3 LYS 109 1HG LYS 109 -14.404 -6.378 4.678 899 HD2 LYS 109 2HD LYS 109 -13.750 -4.730 6.404 900 HD3 LYS 109 1HD LYS 109 -13.944 -3.436 5.220 901 HE2 LYS 109 2HE LYS 109 -15.923 -3.488 6.553 902 HE3 LYS 109 1HE LYS 109 -16.340 -4.145 4.973 903 HZ1 LYS 109 3HZ LYS 109 -17.299 -5.477 6.712 904 HZ2 LYS 109 1HZ LYS 109 -15.788 -5.715 7.429 905 HZ3 LYS 109 2HZ LYS 109 -16.119 -6.379 5.911 906 H SER 110 H SER 110 -13.701 -7.722 5.545 907 HA SER 110 HA SER 110 -12.650 -10.039 4.259 908 HB2 SER 110 2HB SER 110 -12.616 -11.518 6.294 909 HB3 SER 110 1HB SER 110 -11.332 -10.309 6.268 910 HG SER 110 HG SER 110 -13.016 -9.025 7.536 911 H ASN 111 H ASN 111 -14.630 -10.024 3.159 912 HA ASN 111 HA ASN 111 -16.896 -11.072 4.733 913 HB2 ASN 111 2HB ASN 111 -17.102 -8.907 2.617 914 HB3 ASN 111 1HB ASN 111 -18.472 -9.704 3.386 915 HD21 ASN 111 1HD2 ASN 111 -19.007 -9.167 5.492 916 HD22 ASN 111 2HD2 ASN 111 -18.331 -7.807 6.304 917 HA PRO 112 HA PRO 112 -16.015 -13.654 0.930 918 HB2 PRO 112 2HB PRO 112 -16.183 -15.943 2.760 919 HB3 PRO 112 1HB PRO 112 -14.868 -15.472 1.680 920 HG2 PRO 112 2HG PRO 112 -14.663 -15.277 4.366 921 HG3 PRO 112 1HG PRO 112 -13.861 -14.138 3.267 922 HD2 PRO 112 2HD PRO 112 -16.416 -13.791 4.818 923 HD3 PRO 112 1HD PRO 112 -15.077 -12.643 4.581 924 H TYR 113 H TYR 113 -17.837 -15.444 3.387 925 HA TYR 113 HA TYR 113 -20.052 -15.867 1.580 926 HB2 TYR 113 2HB TYR 113 -20.993 -16.991 3.779 927 HB3 TYR 113 1HB TYR 113 -19.714 -17.768 2.853 928 HD1 TYR 113 HD2 TYR 113 -20.375 -15.712 5.888 929 HD2 TYR 113 HD1 TYR 113 -17.585 -18.171 3.807 930 HE1 TYR 113 HE2 TYR 113 -18.934 -15.762 7.880 931 HE2 TYR 113 HE1 TYR 113 -16.141 -18.225 5.794 932 HH TYR 113 HH TYR 113 -17.161 -17.251 8.846 933 H LEU 114 H LEU 114 -19.232 -13.579 3.981 934 HA LEU 114 HA LEU 114 -21.780 -12.866 4.953 935 HB2 LEU 114 2HB LEU 114 -19.296 -11.163 4.691 936 HB3 LEU 114 1HB LEU 114 -20.695 -10.774 5.675 937 HG LEU 114 HG LEU 114 -18.863 -13.147 6.098 938 HD11 LEU 114 1HD1 LEU 114 -19.132 -10.584 7.671 939 HD12 LEU 114 2HD1 LEU 114 -17.769 -11.040 6.649 940 HD13 LEU 114 3HD1 LEU 114 -18.125 -11.966 8.108 941 HD21 LEU 114 3HD2 LEU 114 -21.194 -12.155 7.747 942 HD22 LEU 114 1HD2 LEU 114 -20.098 -13.464 8.194 943 HD23 LEU 114 2HD2 LEU 114 -21.150 -13.636 6.790 944 H GLU 115 H GLU 115 -20.204 -12.127 1.947 945 HA GLU 115 HA GLU 115 -22.509 -10.449 1.187 946 HB2 GLU 115 2HB GLU 115 -19.596 -9.913 0.581 947 HB3 GLU 115 1HB GLU 115 -20.907 -9.169 -0.321 948 HG2 GLU 115 2HG GLU 115 -21.730 -8.345 1.983 949 HG3 GLU 115 1HG GLU 115 -20.099 -8.741 2.529 950 H HIS 116 H HIS 116 -22.728 -10.221 -1.210 951 HA HIS 116 HA HIS 116 -22.897 -10.986 -3.340 952 HB2 HIS 116 2HB HIS 116 -20.462 -12.707 -2.887 953 HB3 HIS 116 1HB HIS 116 -20.994 -11.930 -4.376 954 HD1 HIS 116 HD1 HIS 116 -18.562 -11.579 -1.819 955 HD2 HIS 116 HD2 HIS 116 -20.900 -8.906 -3.979 956 HE1 HIS 116 HE1 HIS 116 -17.457 -9.343 -1.541 957 HE2 HIS 116 HE2 HIS 116 -18.994 -7.720 -2.693 958 H HIS 117 H HIS 117 -23.821 -12.712 -0.905 959 HA HIS 117 HA HIS 117 -23.773 -15.393 -1.961 960 HB2 HIS 117 2HB HIS 117 -25.372 -15.842 0.008 961 HB3 HIS 117 1HB HIS 117 -23.715 -15.380 0.374 962 HD1 HIS 117 HD1 HIS 117 -23.454 -13.533 2.001 963 HD2 HIS 117 HD2 HIS 117 -27.238 -13.547 0.282 964 HE1 HIS 117 HE1 HIS 117 -24.743 -11.742 3.196 965 HE2 HIS 117 HE2 HIS 117 -27.048 -11.818 2.199 966 H HIS 118 H HIS 118 -24.752 -14.839 -4.028 967 HA HIS 118 HA HIS 118 -27.669 -15.214 -3.902 968 HB2 HIS 118 2HB HIS 118 -28.090 -13.622 -5.667 969 HB3 HIS 118 1HB HIS 118 -27.180 -12.802 -4.405 970 HD1 HIS 118 HD1 HIS 118 -27.152 -13.537 -7.983 971 HD2 HIS 118 HD2 HIS 118 -24.365 -12.398 -5.116 972 HE1 HIS 118 HE1 HIS 118 -25.172 -12.691 -9.269 973 HE2 HIS 118 HE2 HIS 118 -23.452 -12.128 -7.526 974 H HIS 119 H HIS 119 -28.511 -16.561 -5.515 975 HA HIS 119 HA HIS 119 -28.498 -18.315 -6.977 976 HB2 HIS 119 2HB HIS 119 -27.744 -16.519 -8.549 977 HB3 HIS 119 1HB HIS 119 -26.076 -16.936 -8.183 978 HD1 HIS 119 HD1 HIS 119 -25.180 -19.184 -9.154 979 HD2 HIS 119 HD2 HIS 119 -29.051 -18.235 -10.321 980 HE1 HIS 119 HE1 HIS 119 -25.682 -20.693 -11.091 981 HE2 HIS 119 HE2 HIS 119 -27.962 -19.983 -11.887 982 H HIS 120 H HIS 120 -27.419 -18.881 -4.570 983 HA HIS 120 HA HIS 120 -24.753 -19.934 -4.717 984 HB2 HIS 120 2HB HIS 120 -25.590 -19.011 -2.627 985 HB3 HIS 120 1HB HIS 120 -26.883 -20.205 -2.583 986 HD1 HIS 120 HD1 HIS 120 -26.396 -22.160 -1.139 987 HD2 HIS 120 HD2 HIS 120 -22.915 -20.381 -2.547 988 HE1 HIS 120 HE1 HIS 120 -24.514 -23.425 -0.069 989 HE2 HIS 120 HE2 HIS 120 -22.426 -22.429 -1.050 990 H HIS 121 H HIS 121 -24.122 -21.872 -5.361 991 HA HIS 121 HA HIS 121 -26.089 -24.046 -5.633 992 HB2 HIS 121 2HB HIS 121 -24.864 -23.552 -7.676 993 HB3 HIS 121 1HB HIS 121 -23.324 -23.714 -6.835 994 HD1 HIS 121 HD1 HIS 121 -22.414 -26.072 -6.485 995 HD2 HIS 121 HD2 HIS 121 -26.195 -26.015 -8.206 996 HE1 HIS 121 HE1 HIS 121 -22.844 -28.422 -7.242 997 HE2 HIS 121 HE2 HIS 121 -25.228 -28.406 -8.030 Start of MODEL 19 1 H1 MET 1 1H MET 1 26.254 -9.859 10.689 2 H2 MET 1 2H MET 1 24.890 -8.886 10.470 3 H3 MET 1 3H MET 1 26.321 -8.534 9.640 4 HA MET 1 HA MET 1 26.160 -10.591 8.409 5 HB2 MET 1 2HB MET 1 23.635 -10.930 10.031 6 HB3 MET 1 1HB MET 1 23.939 -11.829 8.551 7 HG2 MET 1 2HG MET 1 25.680 -11.887 11.009 8 HG3 MET 1 1HG MET 1 24.493 -13.115 10.562 9 HE1 MET 1 3HE MET 1 26.395 -15.012 10.726 10 HE2 MET 1 1HE MET 1 27.537 -13.757 11.206 11 HE3 MET 1 2HE MET 1 27.951 -14.878 9.908 12 H LEU 2 H LEU 2 26.211 -8.914 6.864 13 HA LEU 2 HA LEU 2 23.553 -8.159 5.804 14 HB2 LEU 2 2HB LEU 2 26.209 -6.734 5.590 15 HB3 LEU 2 1HB LEU 2 24.847 -6.348 4.560 16 HG LEU 2 HG LEU 2 24.897 -4.722 6.293 17 HD11 LEU 2 1HD1 LEU 2 22.744 -6.734 6.946 18 HD12 LEU 2 2HD1 LEU 2 22.672 -5.497 5.689 19 HD13 LEU 2 3HD1 LEU 2 22.740 -5.025 7.386 20 HD21 LEU 2 3HD2 LEU 2 24.960 -6.985 8.292 21 HD22 LEU 2 1HD2 LEU 2 24.841 -5.269 8.676 22 HD23 LEU 2 2HD2 LEU 2 26.295 -5.901 7.905 23 H SER 3 H SER 3 23.033 -8.784 3.759 24 HA SER 3 HA SER 3 25.019 -10.433 2.327 25 HB2 SER 3 2HB SER 3 22.949 -11.590 3.033 26 HB3 SER 3 1HB SER 3 21.996 -10.449 2.086 27 HG SER 3 HG SER 3 22.278 -12.183 0.785 28 H GLN 4 H GLN 4 25.982 -9.422 0.674 29 HA GLN 4 HA GLN 4 24.554 -7.374 -0.848 30 HB2 GLN 4 2HB GLN 4 27.420 -8.339 -1.042 31 HB3 GLN 4 1HB GLN 4 26.732 -7.027 -1.989 32 HG2 GLN 4 2HG GLN 4 26.325 -5.763 0.077 33 HG3 GLN 4 1HG GLN 4 27.050 -7.075 1.009 34 HE21 GLN 4 1HE2 GLN 4 27.655 -4.484 -1.234 35 HE22 GLN 4 2HE2 GLN 4 29.370 -4.454 -1.038 36 H ALA 5 H ALA 5 23.038 -8.657 -1.952 37 HA ALA 5 HA ALA 5 24.065 -9.780 -4.425 38 HB1 ALA 5 3HB ALA 5 24.073 -11.732 -2.931 39 HB2 ALA 5 1HB ALA 5 22.881 -11.908 -4.220 40 HB3 ALA 5 2HB ALA 5 22.360 -11.478 -2.589 41 H ASN 6 H ASN 6 22.715 -9.320 -6.095 42 HA ASN 6 HA ASN 6 20.607 -7.524 -5.788 43 HB2 ASN 6 2HB ASN 6 21.286 -9.375 -8.077 44 HB3 ASN 6 1HB ASN 6 19.976 -8.205 -8.163 45 HD21 ASN 6 1HD2 ASN 6 22.987 -7.585 -6.472 46 HD22 ASN 6 2HD2 ASN 6 23.570 -6.403 -7.580 47 H GLU 7 H GLU 7 20.525 -11.054 -5.944 48 HA GLU 7 HA GLU 7 17.738 -11.403 -6.089 49 HB2 GLU 7 2HB GLU 7 18.155 -13.664 -5.204 50 HB3 GLU 7 1HB GLU 7 19.278 -13.242 -6.489 51 HG2 GLU 7 2HG GLU 7 21.039 -12.837 -4.893 52 HG3 GLU 7 1HG GLU 7 19.926 -13.075 -3.546 53 H ASP 8 H ASP 8 19.858 -10.876 -3.300 54 HA ASP 8 HA ASP 8 17.804 -11.415 -1.367 55 HB2 ASP 8 2HB ASP 8 20.383 -11.605 -1.083 56 HB3 ASP 8 1HB ASP 8 20.328 -9.871 -0.771 57 H PHE 9 H PHE 9 19.193 -8.505 -2.830 58 HA PHE 9 HA PHE 9 17.693 -6.653 -1.263 59 HB2 PHE 9 2HB PHE 9 19.124 -6.365 -3.908 60 HB3 PHE 9 1HB PHE 9 18.286 -5.026 -3.129 61 HD1 PHE 9 HD1 PHE 9 19.011 -4.363 -0.779 62 HD2 PHE 9 HD2 PHE 9 21.327 -6.907 -3.293 63 HE1 PHE 9 HE1 PHE 9 21.009 -3.877 0.572 64 HE2 PHE 9 HE2 PHE 9 23.325 -6.424 -1.944 65 HZ PHE 9 HZ PHE 9 23.169 -4.906 -0.011 66 H LYS 10 H LYS 10 17.193 -7.874 -4.607 67 HA LYS 10 HA LYS 10 14.781 -6.545 -5.106 68 HB2 LYS 10 2HB LYS 10 14.368 -8.099 -6.874 69 HB3 LYS 10 1HB LYS 10 16.105 -7.841 -6.812 70 HG2 LYS 10 2HG LYS 10 16.383 -9.971 -5.639 71 HG3 LYS 10 1HG LYS 10 14.638 -10.227 -5.681 72 HD2 LYS 10 2HD LYS 10 16.405 -9.934 -8.119 73 HD3 LYS 10 1HD LYS 10 15.852 -11.471 -7.454 74 HE2 LYS 10 2HE LYS 10 14.045 -9.270 -8.469 75 HE3 LYS 10 1HE LYS 10 14.503 -10.705 -9.385 76 HZ1 LYS 10 3HZ LYS 10 12.354 -11.018 -8.394 77 HZ2 LYS 10 1HZ LYS 10 12.952 -10.660 -6.852 78 HZ3 LYS 10 2HZ LYS 10 13.457 -12.061 -7.650 79 H LYS 11 H LYS 11 15.427 -9.538 -3.382 80 HA LYS 11 HA LYS 11 12.887 -10.509 -2.886 81 HB2 LYS 11 2HB LYS 11 14.954 -11.616 -2.137 82 HB3 LYS 11 1HB LYS 11 15.236 -10.327 -0.976 83 HG2 LYS 11 2HG LYS 11 12.912 -11.027 -0.030 84 HG3 LYS 11 1HG LYS 11 13.213 -12.530 -0.906 85 HD2 LYS 11 2HD LYS 11 14.998 -11.295 1.198 86 HD3 LYS 11 1HD LYS 11 13.962 -12.705 1.413 87 HE2 LYS 11 2HE LYS 11 15.279 -13.964 -0.180 88 HE3 LYS 11 1HE LYS 11 16.256 -12.542 -0.548 89 HZ1 LYS 11 3HZ LYS 11 17.156 -12.555 1.639 90 HZ2 LYS 11 1HZ LYS 11 17.314 -14.119 1.015 91 HZ3 LYS 11 2HZ LYS 11 16.098 -13.779 2.142 92 H ILE 12 H ILE 12 14.685 -8.076 -0.979 93 HA ILE 12 HA ILE 12 12.682 -7.456 0.877 94 HB ILE 12 HB ILE 12 14.792 -5.585 -0.234 95 HG12 ILE 12 2HG1 ILE 12 14.901 -7.429 2.177 96 HG13 ILE 12 1HG1 ILE 12 15.740 -7.696 0.653 97 HG21 ILE 12 1HG2 ILE 12 14.563 -4.385 1.896 98 HG22 ILE 12 2HG2 ILE 12 13.264 -5.478 2.373 99 HG23 ILE 12 3HG2 ILE 12 13.046 -4.396 0.996 100 HD11 ILE 12 3HD1 ILE 12 17.224 -6.819 2.375 101 HD12 ILE 12 1HD1 ILE 12 16.211 -5.384 2.524 102 HD13 ILE 12 2HD1 ILE 12 17.076 -5.700 1.020 103 H VAL 13 H VAL 13 13.289 -6.130 -2.356 104 HA VAL 13 HA VAL 13 11.336 -4.077 -2.277 105 HB VAL 13 HB VAL 13 12.387 -5.527 -4.721 106 HG11 VAL 13 1HG1 VAL 13 10.373 -4.206 -5.171 107 HG12 VAL 13 2HG1 VAL 13 11.791 -3.497 -5.942 108 HG13 VAL 13 3HG1 VAL 13 11.142 -2.784 -4.463 109 HG21 VAL 13 3HG2 VAL 13 14.033 -3.696 -4.868 110 HG22 VAL 13 1HG2 VAL 13 14.230 -4.644 -3.394 111 HG23 VAL 13 2HG2 VAL 13 13.453 -3.062 -3.327 112 H ASN 14 H ASN 14 11.155 -7.482 -3.258 113 HA ASN 14 HA ASN 14 8.367 -7.272 -4.014 114 HB2 ASN 14 2HB ASN 14 10.230 -9.635 -3.722 115 HB3 ASN 14 1HB ASN 14 8.525 -9.811 -4.131 116 HD21 ASN 14 1HD2 ASN 14 11.616 -8.656 -5.230 117 HD22 ASN 14 2HD2 ASN 14 11.181 -8.480 -6.889 118 H ASN 15 H ASN 15 10.124 -7.831 -1.106 119 HA ASN 15 HA ASN 15 7.824 -9.003 0.287 120 HB2 ASN 15 2HB ASN 15 10.694 -8.523 1.114 121 HB3 ASN 15 1HB ASN 15 9.459 -9.041 2.255 122 HD21 ASN 15 1HD2 ASN 15 9.611 -10.115 -1.087 123 HD22 ASN 15 2HD2 ASN 15 10.010 -11.751 -0.723 124 H ILE 16 H ILE 16 8.196 -6.043 -0.645 125 HA ILE 16 HA ILE 16 8.321 -4.445 1.672 126 HB ILE 16 HB ILE 16 6.945 -3.857 -0.959 127 HG12 ILE 16 2HG1 ILE 16 9.657 -3.022 0.116 128 HG13 ILE 16 1HG1 ILE 16 9.376 -4.219 -1.145 129 HG21 ILE 16 1HG2 ILE 16 7.033 -1.491 -0.278 130 HG22 ILE 16 2HG2 ILE 16 7.631 -1.979 1.308 131 HG23 ILE 16 3HG2 ILE 16 6.012 -2.450 0.793 132 HD11 ILE 16 3HD1 ILE 16 10.086 -2.105 -2.089 133 HD12 ILE 16 1HD1 ILE 16 8.733 -1.281 -1.315 134 HD13 ILE 16 2HD1 ILE 16 8.433 -2.475 -2.578 135 H ARG 17 H ARG 17 7.053 -5.077 3.343 136 HA ARG 17 HA ARG 17 4.146 -5.277 2.921 137 HB2 ARG 17 2HB ARG 17 5.345 -7.154 4.083 138 HB3 ARG 17 1HB ARG 17 5.749 -6.041 5.380 139 HG2 ARG 17 2HG ARG 17 3.865 -7.378 6.036 140 HG3 ARG 17 1HG ARG 17 3.332 -5.713 5.807 141 HD2 ARG 17 2HD ARG 17 2.407 -6.280 3.625 142 HD3 ARG 17 1HD ARG 17 3.011 -7.931 3.769 143 HE ARG 17 HE ARG 17 1.243 -7.119 5.902 144 HH11 ARG 17 1HH1 ARG 17 1.405 -8.536 2.754 145 HH12 ARG 17 2HH1 ARG 17 -0.115 -9.342 2.925 146 HH21 ARG 17 1HH2 ARG 17 -0.729 -8.130 6.079 147 HH22 ARG 17 2HH2 ARG 17 -1.311 -9.114 4.779 148 H LEU 18 H LEU 18 2.699 -4.044 4.154 149 HA LEU 18 HA LEU 18 3.597 -1.404 4.779 150 HB2 LEU 18 2HB LEU 18 1.095 -1.178 5.497 151 HB3 LEU 18 1HB LEU 18 1.532 -1.342 3.809 152 HG LEU 18 HG LEU 18 0.913 -3.724 3.862 153 HD11 LEU 18 1HD1 LEU 18 0.078 -3.200 6.716 154 HD12 LEU 18 2HD1 LEU 18 1.390 -4.253 6.184 155 HD13 LEU 18 3HD1 LEU 18 -0.281 -4.661 5.794 156 HD21 LEU 18 3HD2 LEU 18 -1.255 -1.904 4.914 157 HD22 LEU 18 1HD2 LEU 18 -1.502 -3.426 4.054 158 HD23 LEU 18 2HD2 LEU 18 -0.756 -2.058 3.229 159 H LYS 19 H LYS 19 4.893 -3.099 6.525 160 HA LYS 19 HA LYS 19 4.217 -1.861 9.040 161 HB2 LYS 19 2HB LYS 19 2.845 -3.935 9.086 162 HB3 LYS 19 1HB LYS 19 4.299 -4.890 8.824 163 HG2 LYS 19 2HG LYS 19 5.196 -3.933 10.974 164 HG3 LYS 19 1HG LYS 19 3.601 -3.230 11.241 165 HD2 LYS 19 2HD LYS 19 3.751 -5.310 12.452 166 HD3 LYS 19 1HD LYS 19 2.622 -5.515 11.109 167 HE2 LYS 19 2HE LYS 19 4.079 -7.456 11.293 168 HE3 LYS 19 1HE LYS 19 4.402 -6.588 9.793 169 HZ1 LYS 19 3HZ LYS 19 6.474 -7.170 10.755 170 HZ2 LYS 19 1HZ LYS 19 6.035 -6.559 12.270 171 HZ3 LYS 19 2HZ LYS 19 6.290 -5.507 10.977 172 H ASP 20 H ASP 20 6.123 -4.613 7.816 173 HA ASP 20 HA ASP 20 8.431 -4.028 9.358 174 HB2 ASP 20 2HB ASP 20 8.069 -5.779 6.914 175 HB3 ASP 20 1HB ASP 20 9.498 -5.775 7.942 176 H THR 21 H THR 21 7.699 -3.553 5.887 177 HA THR 21 HA THR 21 10.310 -2.455 5.372 178 HB THR 21 HB THR 21 7.938 -2.335 3.501 179 HG1 THR 21 HG1 THR 21 9.566 -4.397 2.962 180 HG21 THR 21 3HG2 THR 21 9.943 -1.024 2.875 181 HG22 THR 21 1HG2 THR 21 9.658 -2.366 1.768 182 HG23 THR 21 2HG2 THR 21 10.920 -2.489 2.993 183 H PHE 22 H PHE 22 7.000 -1.106 5.496 184 HA PHE 22 HA PHE 22 8.047 1.418 6.428 185 HB2 PHE 22 2HB PHE 22 7.296 2.824 4.660 186 HB3 PHE 22 1HB PHE 22 8.206 1.532 3.888 187 HD1 PHE 22 HD1 PHE 22 6.836 -0.459 2.947 188 HD2 PHE 22 HD2 PHE 22 5.132 3.320 3.946 189 HE1 PHE 22 HE1 PHE 22 4.909 -0.942 1.497 190 HE2 PHE 22 HE2 PHE 22 3.206 2.834 2.493 191 HZ PHE 22 HZ PHE 22 3.092 0.703 1.267 192 H ASP 23 H ASP 23 6.537 2.600 7.565 193 HA ASP 23 HA ASP 23 3.819 1.464 7.768 194 HB2 ASP 23 2HB ASP 23 5.278 3.328 9.670 195 HB3 ASP 23 1HB ASP 23 3.687 2.624 9.933 196 H PHE 24 H PHE 24 2.369 2.549 6.491 197 HA PHE 24 HA PHE 24 2.857 5.356 5.856 198 HB2 PHE 24 2HB PHE 24 1.154 5.153 4.160 199 HB3 PHE 24 1HB PHE 24 2.238 3.775 4.043 200 HD1 PHE 24 HD1 PHE 24 1.475 1.546 4.948 201 HD2 PHE 24 HD2 PHE 24 -1.162 4.863 4.478 202 HE1 PHE 24 HE1 PHE 24 -0.458 0.026 5.022 203 HE2 PHE 24 HE2 PHE 24 -3.091 3.344 4.555 204 HZ PHE 24 HZ PHE 24 -2.741 0.924 4.827 205 H LYS 25 H LYS 25 1.147 6.971 5.999 206 HA LYS 25 HA LYS 25 -0.868 6.496 8.073 207 HB2 LYS 25 2HB LYS 25 1.194 7.287 9.216 208 HB3 LYS 25 1HB LYS 25 1.161 8.741 8.230 209 HG2 LYS 25 2HG LYS 25 -0.761 9.563 9.306 210 HG3 LYS 25 1HG LYS 25 -1.140 7.990 10.015 211 HD2 LYS 25 2HD LYS 25 -0.240 9.437 11.729 212 HD3 LYS 25 1HD LYS 25 0.918 8.153 11.391 213 HE2 LYS 25 2HE LYS 25 2.190 10.130 11.572 214 HE3 LYS 25 1HE LYS 25 2.083 9.800 9.844 215 HZ1 LYS 25 3HZ LYS 25 0.284 11.433 9.700 216 HZ2 LYS 25 1HZ LYS 25 1.707 12.127 10.294 217 HZ3 LYS 25 2HZ LYS 25 0.440 11.761 11.349 218 H LEU 26 H LEU 26 -2.739 7.486 7.630 219 HA LEU 26 HA LEU 26 -2.912 9.099 5.220 220 HB2 LEU 26 2HB LEU 26 -5.055 7.949 7.019 221 HB3 LEU 26 1HB LEU 26 -5.379 8.867 5.563 222 HG LEU 26 HG LEU 26 -5.651 6.597 4.966 223 HD11 LEU 26 1HD1 LEU 26 -3.877 6.195 3.321 224 HD12 LEU 26 2HD1 LEU 26 -2.900 7.455 4.073 225 HD13 LEU 26 3HD1 LEU 26 -4.432 7.869 3.302 226 HD21 LEU 26 3HD2 LEU 26 -2.968 6.007 6.223 227 HD22 LEU 26 1HD2 LEU 26 -4.010 4.850 5.394 228 HD23 LEU 26 2HD2 LEU 26 -4.541 5.588 6.906 229 H ALA 27 H ALA 27 -3.487 11.237 5.106 230 HA ALA 27 HA ALA 27 -3.082 12.909 7.338 231 HB1 ALA 27 3HB ALA 27 -3.777 14.739 5.902 232 HB2 ALA 27 1HB ALA 27 -4.480 13.601 4.752 233 HB3 ALA 27 2HB ALA 27 -2.737 13.629 5.012 234 H ALA 28 H ALA 28 -6.078 11.649 5.913 235 HA ALA 28 HA ALA 28 -7.795 13.208 7.618 236 HB1 ALA 28 3HB ALA 28 -8.545 12.438 5.419 237 HB2 ALA 28 1HB ALA 28 -9.608 11.857 6.701 238 HB3 ALA 28 2HB ALA 28 -8.435 10.764 5.963 239 H PHE 29 H PHE 29 -6.023 10.306 8.005 240 HA PHE 29 HA PHE 29 -7.357 9.773 10.582 241 HB2 PHE 29 2HB PHE 29 -6.395 7.658 8.632 242 HB3 PHE 29 1HB PHE 29 -7.059 7.353 10.231 243 HD1 PHE 29 HD1 PHE 29 -9.471 7.882 10.678 244 HD2 PHE 29 HD2 PHE 29 -7.802 7.954 6.756 245 HE1 PHE 29 HE1 PHE 29 -11.726 7.732 9.715 246 HE2 PHE 29 HE2 PHE 29 -10.060 7.803 5.790 247 HZ PHE 29 HZ PHE 29 -12.027 7.694 7.272 248 HA PRO 30 HA PRO 30 -2.847 10.528 11.249 249 HB2 PRO 30 2HB PRO 30 -3.126 11.231 13.892 250 HB3 PRO 30 1HB PRO 30 -3.305 12.359 12.540 251 HG2 PRO 30 2HG PRO 30 -5.427 10.918 14.096 252 HG3 PRO 30 1HG PRO 30 -5.389 12.608 13.555 253 HD2 PRO 30 2HD PRO 30 -6.816 10.739 12.243 254 HD3 PRO 30 1HD PRO 30 -5.996 12.058 11.380 255 H ASN 31 H ASN 31 -4.695 9.108 14.007 256 HA ASN 31 HA ASN 31 -2.648 6.994 14.175 257 HB2 ASN 31 2HB ASN 31 -4.757 7.866 16.170 258 HB3 ASN 31 1HB ASN 31 -3.717 6.466 16.397 259 HD21 ASN 31 1HD2 ASN 31 -2.753 9.551 14.988 260 HD22 ASN 31 2HD2 ASN 31 -1.663 9.982 16.249 261 H GLN 32 H GLN 32 -3.414 5.832 12.343 262 HA GLN 32 HA GLN 32 -6.071 4.584 12.664 263 HB2 GLN 32 2HB GLN 32 -5.998 4.253 10.173 264 HB3 GLN 32 1HB GLN 32 -6.098 5.921 10.709 265 HG2 GLN 32 2HG GLN 32 -4.584 5.893 8.903 266 HG3 GLN 32 1HG GLN 32 -3.610 6.087 10.354 267 HE21 GLN 32 1HE2 GLN 32 -2.184 4.450 10.937 268 HE22 GLN 32 2HE2 GLN 32 -1.804 3.135 9.891 269 H ASN 33 H ASN 33 -6.268 2.480 11.404 270 HA ASN 33 HA ASN 33 -3.816 0.853 11.480 271 HB2 ASN 33 2HB ASN 33 -6.514 0.065 12.619 272 HB3 ASN 33 1HB ASN 33 -5.186 -1.062 12.357 273 HD21 ASN 33 1HD2 ASN 33 -6.343 1.599 14.255 274 HD22 ASN 33 2HD2 ASN 33 -5.169 1.471 15.513 275 H TYR 34 H TYR 34 -3.507 0.431 9.360 276 HA TYR 34 HA TYR 34 -5.349 0.248 7.315 277 HB2 TYR 34 2HB TYR 34 -3.539 -1.412 6.320 278 HB3 TYR 34 1HB TYR 34 -3.190 0.298 6.530 279 HD1 TYR 34 HD1 TYR 34 -2.596 -3.079 7.929 280 HD2 TYR 34 HD2 TYR 34 -1.540 1.047 8.096 281 HE1 TYR 34 HE1 TYR 34 -0.657 -3.634 9.338 282 HE2 TYR 34 HE2 TYR 34 0.397 0.497 9.498 283 HH TYR 34 HH TYR 34 1.640 -2.522 9.823 284 H ASP 35 H ASP 35 -4.432 -2.265 9.603 285 HA ASP 35 HA ASP 35 -5.820 -4.408 8.335 286 HB2 ASP 35 2HB ASP 35 -3.982 -4.701 9.985 287 HB3 ASP 35 1HB ASP 35 -5.036 -4.079 11.249 288 H GLN 36 H GLN 36 -7.037 -1.655 9.687 289 HA GLN 36 HA GLN 36 -9.673 -2.864 10.142 290 HB2 GLN 36 2HB GLN 36 -8.287 -0.918 12.006 291 HB3 GLN 36 1HB GLN 36 -9.994 -1.321 12.103 292 HG2 GLN 36 2HG GLN 36 -9.471 -3.620 12.630 293 HG3 GLN 36 1HG GLN 36 -7.749 -3.312 12.396 294 HE21 GLN 36 1HE2 GLN 36 -7.299 -3.986 14.498 295 HE22 GLN 36 2HE2 GLN 36 -7.662 -3.004 15.869 296 H LEU 37 H LEU 37 -8.229 -1.070 8.067 297 HA LEU 37 HA LEU 37 -10.063 1.252 8.172 298 HB2 LEU 37 2HB LEU 37 -7.342 1.329 8.156 299 HB3 LEU 37 1HB LEU 37 -7.660 1.388 6.436 300 HG LEU 37 HG LEU 37 -7.379 3.627 7.309 301 HD11 LEU 37 1HD1 LEU 37 -8.985 3.337 5.481 302 HD12 LEU 37 2HD1 LEU 37 -9.417 4.682 6.535 303 HD13 LEU 37 3HD1 LEU 37 -10.286 3.154 6.660 304 HD21 LEU 37 3HD2 LEU 37 -7.991 3.224 9.626 305 HD22 LEU 37 1HD2 LEU 37 -9.679 3.007 9.163 306 HD23 LEU 37 2HD2 LEU 37 -8.904 4.580 8.965 307 H LEU 38 H LEU 38 -11.340 1.707 6.419 308 HA LEU 38 HA LEU 38 -11.723 -0.313 4.420 309 HB2 LEU 38 2HB LEU 38 -12.914 2.458 4.630 310 HB3 LEU 38 1HB LEU 38 -13.472 1.192 3.552 311 HG LEU 38 HG LEU 38 -13.569 1.114 6.572 312 HD11 LEU 38 1HD1 LEU 38 -15.997 1.214 6.273 313 HD12 LEU 38 2HD1 LEU 38 -15.775 1.400 4.533 314 HD13 LEU 38 3HD1 LEU 38 -15.198 2.651 5.636 315 HD21 LEU 38 3HD2 LEU 38 -14.574 -0.894 4.553 316 HD22 LEU 38 1HD2 LEU 38 -14.815 -0.967 6.299 317 HD23 LEU 38 2HD2 LEU 38 -13.191 -1.109 5.627 318 HA PRO 39 HA PRO 39 -8.622 0.954 1.454 319 HB2 PRO 39 2HB PRO 39 -10.651 -0.127 -0.468 320 HB3 PRO 39 1HB PRO 39 -8.921 -0.471 -0.348 321 HG2 PRO 39 2HG PRO 39 -10.700 -2.226 0.555 322 HG3 PRO 39 1HG PRO 39 -9.203 -1.919 1.455 323 HD2 PRO 39 2HD PRO 39 -11.988 -1.002 2.037 324 HD3 PRO 39 1HD PRO 39 -10.697 -1.476 3.161 325 H SER 40 H SER 40 -12.046 1.610 0.603 326 HA SER 40 HA SER 40 -11.524 3.610 -1.313 327 HB2 SER 40 2HB SER 40 -13.720 2.511 -1.116 328 HB3 SER 40 1HB SER 40 -13.978 3.294 0.443 329 HG SER 40 HG SER 40 -14.138 4.327 -2.128 330 H GLN 41 H GLN 41 -12.246 3.888 2.165 331 HA GLN 41 HA GLN 41 -12.137 6.669 2.414 332 HB2 GLN 41 2HB GLN 41 -11.319 4.512 4.377 333 HB3 GLN 41 1HB GLN 41 -11.469 6.212 4.798 334 HG2 GLN 41 2HG GLN 41 -13.731 4.554 3.698 335 HG3 GLN 41 1HG GLN 41 -13.418 4.773 5.418 336 HE21 GLN 41 1HE2 GLN 41 -14.535 6.288 2.494 337 HE22 GLN 41 2HE2 GLN 41 -15.170 7.708 3.247 338 H ILE 42 H ILE 42 -9.525 4.269 2.510 339 HA ILE 42 HA ILE 42 -7.390 6.006 3.079 340 HB ILE 42 HB ILE 42 -7.341 3.456 1.440 341 HG12 ILE 42 2HG1 ILE 42 -6.834 3.935 4.394 342 HG13 ILE 42 1HG1 ILE 42 -8.257 3.153 3.714 343 HG21 ILE 42 1HG2 ILE 42 -4.951 3.363 2.030 344 HG22 ILE 42 2HG2 ILE 42 -5.088 4.941 2.804 345 HG23 ILE 42 3HG2 ILE 42 -5.334 4.788 1.065 346 HD11 ILE 42 3HD1 ILE 42 -6.728 1.520 4.614 347 HD12 ILE 42 1HD1 ILE 42 -5.429 2.126 3.587 348 HD13 ILE 42 2HD1 ILE 42 -6.837 1.346 2.864 349 H TYR 43 H TYR 43 -8.695 4.938 -0.070 350 HA TYR 43 HA TYR 43 -6.905 6.281 -1.743 351 HB2 TYR 43 2HB TYR 43 -8.457 4.616 -2.608 352 HB3 TYR 43 1HB TYR 43 -9.832 5.642 -2.210 353 HD1 TYR 43 HD1 TYR 43 -6.903 5.294 -4.451 354 HD2 TYR 43 HD2 TYR 43 -10.518 7.413 -3.685 355 HE1 TYR 43 HE1 TYR 43 -6.755 6.342 -6.668 356 HE2 TYR 43 HE2 TYR 43 -10.378 8.465 -5.906 357 HH TYR 43 HH TYR 43 -8.184 7.411 -8.315 358 H LYS 44 H LYS 44 -9.892 7.468 -0.241 359 HA LYS 44 HA LYS 44 -10.026 9.918 -1.638 360 HB2 LYS 44 2HB LYS 44 -11.154 9.164 1.064 361 HB3 LYS 44 1HB LYS 44 -11.554 10.641 0.193 362 HG2 LYS 44 2HG LYS 44 -12.397 9.232 -1.684 363 HG3 LYS 44 1HG LYS 44 -12.129 7.810 -0.675 364 HD2 LYS 44 2HD LYS 44 -14.458 8.482 -0.560 365 HD3 LYS 44 1HD LYS 44 -13.686 8.738 1.005 366 HE2 LYS 44 2HE LYS 44 -13.410 11.132 0.450 367 HE3 LYS 44 1HE LYS 44 -14.237 10.852 -1.083 368 HZ1 LYS 44 3HZ LYS 44 -16.218 10.234 0.102 369 HZ2 LYS 44 1HZ LYS 44 -15.701 11.753 0.637 370 HZ3 LYS 44 2HZ LYS 44 -15.430 10.387 1.593 371 H ASN 45 H ASN 45 -7.718 8.977 0.614 372 HA ASN 45 HA ASN 45 -7.294 11.521 1.877 373 HB2 ASN 45 2HB ASN 45 -5.688 8.981 1.738 374 HB3 ASN 45 1HB ASN 45 -5.021 10.441 2.464 375 HD21 ASN 45 1HD2 ASN 45 -7.484 7.992 2.727 376 HD22 ASN 45 2HD2 ASN 45 -7.892 8.315 4.370 377 H TYR 46 H TYR 46 -6.471 10.304 -1.236 378 HA TYR 46 HA TYR 46 -4.041 11.556 -1.772 379 HB2 TYR 46 2HB TYR 46 -6.380 10.880 -3.541 380 HB3 TYR 46 1HB TYR 46 -4.990 11.740 -4.194 381 HD1 TYR 46 HD2 TYR 46 -2.648 10.600 -3.385 382 HD2 TYR 46 HD1 TYR 46 -6.361 8.579 -3.893 383 HE1 TYR 46 HE2 TYR 46 -1.447 8.480 -3.698 384 HE2 TYR 46 HE1 TYR 46 -5.165 6.455 -4.206 385 HH TYR 46 HH TYR 46 -1.872 6.073 -3.488 386 H TYR 47 H TYR 47 -7.211 13.014 -1.491 387 HA TYR 47 HA TYR 47 -6.675 15.506 -2.703 388 HB2 TYR 47 2HB TYR 47 -8.559 14.814 -0.433 389 HB3 TYR 47 1HB TYR 47 -8.556 16.352 -1.289 390 HD1 TYR 47 HD2 TYR 47 -9.311 16.470 -3.636 391 HD2 TYR 47 HD1 TYR 47 -9.511 12.837 -1.429 392 HE1 TYR 47 HE2 TYR 47 -10.865 15.547 -5.302 393 HE2 TYR 47 HE1 TYR 47 -11.062 11.904 -3.088 394 HH TYR 47 HH TYR 47 -12.682 12.737 -4.762 395 H GLN 48 H GLN 48 -6.111 14.340 0.597 396 HA GLN 48 HA GLN 48 -5.029 16.943 1.399 397 HB2 GLN 48 2HB GLN 48 -5.461 14.426 3.029 398 HB3 GLN 48 1HB GLN 48 -4.947 15.983 3.667 399 HG2 GLN 48 2HG GLN 48 -7.078 16.972 2.964 400 HG3 GLN 48 1HG GLN 48 -7.592 15.408 2.334 401 HE21 GLN 48 1HE2 GLN 48 -9.354 15.301 3.710 402 HE22 GLN 48 2HE2 GLN 48 -9.197 15.026 5.407 403 H GLY 49 H GLY 49 -3.983 13.521 1.553 404 HA2 GLY 49 2HA GLY 49 -1.626 13.513 0.329 405 HA3 GLY 49 1HA GLY 49 -1.197 14.356 1.808 406 H ILE 50 H ILE 50 -0.056 11.920 0.990 407 HA ILE 50 HA ILE 50 -0.961 10.138 3.173 408 HB ILE 50 HB ILE 50 0.200 9.281 0.505 409 HG12 ILE 50 2HG1 ILE 50 -2.568 8.856 1.675 410 HG13 ILE 50 1HG1 ILE 50 -2.171 9.965 0.368 411 HG21 ILE 50 1HG2 ILE 50 0.991 7.848 2.322 412 HG22 ILE 50 2HG2 ILE 50 -0.139 6.982 1.284 413 HG23 ILE 50 3HG2 ILE 50 -0.671 7.585 2.854 414 HD11 ILE 50 3HD1 ILE 50 -1.930 6.963 0.277 415 HD12 ILE 50 1HD1 ILE 50 -1.515 8.070 -1.032 416 HD13 ILE 50 2HD1 ILE 50 -3.186 7.939 -0.484 417 H GLU 51 H GLU 51 0.547 9.748 4.676 418 HA GLU 51 HA GLU 51 3.280 10.699 4.206 419 HB2 GLU 51 2HB GLU 51 1.871 9.914 6.766 420 HB3 GLU 51 1HB GLU 51 3.502 10.565 6.666 421 HG2 GLU 51 2HG GLU 51 2.656 12.664 5.810 422 HG3 GLU 51 1HG GLU 51 1.016 12.015 5.766 423 H ILE 52 H ILE 52 5.019 9.396 4.126 424 HA ILE 52 HA ILE 52 4.624 6.507 4.633 425 HB ILE 52 HB ILE 52 6.617 7.831 2.768 426 HG12 ILE 52 2HG1 ILE 52 4.325 7.950 1.899 427 HG13 ILE 52 1HG1 ILE 52 5.285 6.816 0.954 428 HG21 ILE 52 1HG2 ILE 52 7.121 5.525 2.021 429 HG22 ILE 52 2HG2 ILE 52 6.078 4.904 3.301 430 HG23 ILE 52 3HG2 ILE 52 7.540 5.798 3.712 431 HD11 ILE 52 3HD1 ILE 52 3.063 5.951 1.334 432 HD12 ILE 52 1HD1 ILE 52 3.272 6.103 3.078 433 HD13 ILE 52 2HD1 ILE 52 4.253 4.953 2.168 434 H GLN 53 H GLN 53 5.434 6.045 6.624 435 HA GLN 53 HA GLN 53 7.840 7.354 7.611 436 HB2 GLN 53 2HB GLN 53 6.039 5.246 8.826 437 HB3 GLN 53 1HB GLN 53 7.487 5.853 9.615 438 HG2 GLN 53 2HG GLN 53 5.532 6.940 10.516 439 HG3 GLN 53 1HG GLN 53 6.518 8.109 9.642 440 HE21 GLN 53 1HE2 GLN 53 3.572 6.237 9.563 441 HE22 GLN 53 2HE2 GLN 53 2.778 7.184 8.363 442 H GLN 54 H GLN 54 9.800 6.640 7.115 443 HA GLN 54 HA GLN 54 10.258 4.210 5.722 444 HB2 GLN 54 2HB GLN 54 12.633 4.816 5.840 445 HB3 GLN 54 1HB GLN 54 11.643 6.177 5.347 446 HG2 GLN 54 2HG GLN 54 13.057 7.203 6.818 447 HG3 GLN 54 1HG GLN 54 11.733 6.783 7.901 448 HE21 GLN 54 1HE2 GLN 54 13.078 6.780 9.698 449 HE22 GLN 54 2HE2 GLN 54 14.241 5.537 9.983 450 H HIS 55 H HIS 55 11.065 2.244 6.389 451 HA HIS 55 HA HIS 55 11.524 1.881 9.281 452 HB2 HIS 55 2HB HIS 55 9.179 1.231 8.509 453 HB3 HIS 55 1HB HIS 55 9.937 -0.081 7.617 454 HD1 HIS 55 HD1 HIS 55 7.933 -0.133 10.204 455 HD2 HIS 55 HD2 HIS 55 11.976 -1.095 10.066 456 HE1 HIS 55 HE1 HIS 55 8.332 -1.652 12.156 457 HE2 HIS 55 HE2 HIS 55 10.789 -2.155 12.107 458 H LYS 56 H LYS 56 11.824 0.234 6.087 459 HA LYS 56 HA LYS 56 14.366 -0.917 7.076 460 HB2 LYS 56 2HB LYS 56 12.207 -2.246 5.459 461 HB3 LYS 56 1HB LYS 56 13.861 -2.842 5.456 462 HG2 LYS 56 2HG LYS 56 13.698 -3.066 7.943 463 HG3 LYS 56 1HG LYS 56 11.978 -2.681 7.798 464 HD2 LYS 56 2HD LYS 56 11.706 -4.594 6.258 465 HD3 LYS 56 1HD LYS 56 13.414 -4.987 6.466 466 HE2 LYS 56 2HE LYS 56 11.307 -4.976 8.642 467 HE3 LYS 56 1HE LYS 56 11.989 -6.406 7.870 468 HZ1 LYS 56 3HZ LYS 56 13.537 -4.432 9.454 469 HZ2 LYS 56 1HZ LYS 56 14.137 -5.857 8.772 470 HZ3 LYS 56 2HZ LYS 56 13.006 -5.932 10.023 471 H TYR 57 H TYR 57 16.111 -0.596 5.892 472 HA TYR 57 HA TYR 57 17.524 -0.301 4.149 473 HB2 TYR 57 2HB TYR 57 15.395 -2.131 3.079 474 HB3 TYR 57 1HB TYR 57 16.798 -1.704 2.091 475 HD1 TYR 57 HD2 TYR 57 15.880 -3.062 5.442 476 HD2 TYR 57 HD1 TYR 57 18.781 -2.954 2.326 477 HE1 TYR 57 HE2 TYR 57 17.179 -4.799 6.600 478 HE2 TYR 57 HE1 TYR 57 20.090 -4.687 3.481 479 HH TYR 57 HH TYR 57 20.383 -5.604 5.704 480 H GLN 58 H GLN 58 15.489 1.850 4.342 481 HA GLN 58 HA GLN 58 14.832 2.663 1.684 482 HB2 GLN 58 2HB GLN 58 14.956 4.226 4.271 483 HB3 GLN 58 1HB GLN 58 14.340 4.877 2.758 484 HG2 GLN 58 2HG GLN 58 13.211 2.532 4.281 485 HG3 GLN 58 1HG GLN 58 12.519 4.150 4.180 486 HE21 GLN 58 1HE2 GLN 58 13.052 1.160 2.505 487 HE22 GLN 58 2HE2 GLN 58 11.986 1.480 1.187 488 H ASN 59 H ASN 59 17.789 2.369 3.023 489 HA ASN 59 HA ASN 59 19.097 4.649 1.855 490 HB2 ASN 59 2HB ASN 59 20.051 3.422 3.767 491 HB3 ASN 59 1HB ASN 59 20.188 1.974 2.779 492 HD21 ASN 59 1HD2 ASN 59 20.913 5.222 1.641 493 HD22 ASN 59 2HD2 ASN 59 22.610 4.964 1.472 494 H GLU 60 H GLU 60 18.074 1.499 0.793 495 HA GLU 60 HA GLU 60 19.629 1.575 -1.667 496 HB2 GLU 60 2HB GLU 60 17.585 -0.391 -0.617 497 HB3 GLU 60 1HB GLU 60 18.414 -0.569 -2.157 498 HG2 GLU 60 2HG GLU 60 19.743 -0.490 0.551 499 HG3 GLU 60 1HG GLU 60 19.421 -1.940 -0.400 500 H LEU 61 H LEU 61 16.157 1.472 -0.829 501 HA LEU 61 HA LEU 61 15.546 2.614 -3.481 502 HB2 LEU 61 2HB LEU 61 13.491 1.307 -3.554 503 HB3 LEU 61 1HB LEU 61 14.895 0.266 -3.445 504 HG LEU 61 HG LEU 61 13.287 0.963 -0.988 505 HD11 LEU 61 1HD1 LEU 61 12.021 -1.115 -1.314 506 HD12 LEU 61 2HD1 LEU 61 12.760 -1.309 -2.905 507 HD13 LEU 61 3HD1 LEU 61 11.700 0.064 -2.586 508 HD21 LEU 61 3HD2 LEU 61 15.442 -0.068 -0.564 509 HD22 LEU 61 1HD2 LEU 61 15.079 -1.368 -1.697 510 HD23 LEU 61 2HD2 LEU 61 14.159 -1.214 -0.201 511 H ASP 62 H ASP 62 13.705 3.962 -3.649 512 HA ASP 62 HA ASP 62 12.942 5.288 -1.122 513 HB2 ASP 62 2HB ASP 62 14.116 6.501 -3.124 514 HB3 ASP 62 1HB ASP 62 12.528 6.444 -3.879 515 H ILE 63 H ILE 63 10.943 4.765 -0.380 516 HA ILE 63 HA ILE 63 9.031 3.480 -2.177 517 HB ILE 63 HB ILE 63 9.080 3.771 0.829 518 HG12 ILE 63 2HG1 ILE 63 9.445 1.388 -1.013 519 HG13 ILE 63 1HG1 ILE 63 10.707 2.180 -0.076 520 HG21 ILE 63 1HG2 ILE 63 6.762 3.805 0.108 521 HG22 ILE 63 2HG2 ILE 63 7.133 2.255 0.863 522 HG23 ILE 63 3HG2 ILE 63 7.025 2.378 -0.893 523 HD11 ILE 63 3HD1 ILE 63 10.019 0.107 0.961 524 HD12 ILE 63 1HD1 ILE 63 8.351 0.674 1.042 525 HD13 ILE 63 2HD1 ILE 63 9.604 1.477 1.991 526 H LYS 64 H LYS 64 7.583 4.684 -3.210 527 HA LYS 64 HA LYS 64 5.929 6.542 -1.653 528 HB2 LYS 64 2HB LYS 64 7.270 7.174 -4.286 529 HB3 LYS 64 1HB LYS 64 5.873 8.071 -3.701 530 HG2 LYS 64 2HG LYS 64 7.080 8.839 -1.782 531 HG3 LYS 64 1HG LYS 64 8.444 7.784 -2.150 532 HD2 LYS 64 2HD LYS 64 7.502 10.058 -3.910 533 HD3 LYS 64 1HD LYS 64 8.839 10.159 -2.763 534 HE2 LYS 64 2HE LYS 64 9.925 8.266 -3.993 535 HE3 LYS 64 1HE LYS 64 8.651 8.395 -5.204 536 HZ1 LYS 64 3HZ LYS 64 9.346 10.681 -5.608 537 HZ2 LYS 64 1HZ LYS 64 10.613 9.597 -5.887 538 HZ3 LYS 64 2HZ LYS 64 10.583 10.525 -4.471 539 H ILE 65 H ILE 65 3.776 6.446 -2.114 540 HA ILE 65 HA ILE 65 2.894 4.201 -3.709 541 HB ILE 65 HB ILE 65 1.255 6.159 -2.079 542 HG12 ILE 65 2HG1 ILE 65 2.295 3.395 -1.372 543 HG13 ILE 65 1HG1 ILE 65 2.886 4.912 -0.705 544 HG21 ILE 65 1HG2 ILE 65 -0.090 5.031 -3.773 545 HG22 ILE 65 2HG2 ILE 65 -0.501 4.431 -2.166 546 HG23 ILE 65 3HG2 ILE 65 0.513 3.462 -3.236 547 HD11 ILE 65 3HD1 ILE 65 0.696 5.306 0.314 548 HD12 ILE 65 1HD1 ILE 65 1.422 3.795 0.857 549 HD13 ILE 65 2HD1 ILE 65 0.127 3.768 -0.337 550 H ILE 66 H ILE 66 1.545 4.237 -5.490 551 HA ILE 66 HA ILE 66 1.329 6.794 -6.940 552 HB ILE 66 HB ILE 66 1.058 3.980 -8.037 553 HG12 ILE 66 2HG1 ILE 66 3.413 5.886 -8.204 554 HG13 ILE 66 1HG1 ILE 66 3.351 4.429 -7.220 555 HG21 ILE 66 1HG2 ILE 66 -0.143 5.657 -9.343 556 HG22 ILE 66 2HG2 ILE 66 1.257 5.058 -10.232 557 HG23 ILE 66 3HG2 ILE 66 1.319 6.639 -9.451 558 HD11 ILE 66 3HD1 ILE 66 3.167 3.072 -9.242 559 HD12 ILE 66 1HD1 ILE 66 4.622 4.070 -9.252 560 HD13 ILE 66 2HD1 ILE 66 3.228 4.534 -10.226 561 H ASN 67 H ASN 67 -0.532 3.751 -6.660 562 HA ASN 67 HA ASN 67 -3.010 5.141 -6.151 563 HB2 ASN 67 2HB ASN 67 -2.957 5.476 -8.530 564 HB3 ASN 67 1HB ASN 67 -2.497 3.803 -8.818 565 HD21 ASN 67 1HD2 ASN 67 -5.119 5.900 -7.785 566 HD22 ASN 67 2HD2 ASN 67 -6.389 4.784 -8.153 567 H PHE 68 H PHE 68 -4.782 3.694 -5.636 568 HA PHE 68 HA PHE 68 -3.866 1.063 -4.707 569 HB2 PHE 68 2HB PHE 68 -6.417 2.555 -4.033 570 HB3 PHE 68 1HB PHE 68 -5.861 1.064 -3.280 571 HD1 PHE 68 HD2 PHE 68 -3.758 1.112 -1.897 572 HD2 PHE 68 HD1 PHE 68 -5.684 4.656 -3.265 573 HE1 PHE 68 HE2 PHE 68 -2.555 2.418 -0.198 574 HE2 PHE 68 HE1 PHE 68 -4.480 5.965 -1.567 575 HZ PHE 68 HZ PHE 68 -2.915 4.845 -0.030 576 H LEU 69 H LEU 69 -4.490 -0.778 -5.709 577 HA LEU 69 HA LEU 69 -6.781 -0.658 -7.587 578 HB2 LEU 69 2HB LEU 69 -4.338 -2.446 -7.711 579 HB3 LEU 69 1HB LEU 69 -5.696 -2.519 -8.813 580 HG LEU 69 HG LEU 69 -5.110 -0.098 -9.445 581 HD11 LEU 69 1HD1 LEU 69 -2.533 -0.856 -8.070 582 HD12 LEU 69 2HD1 LEU 69 -3.645 0.424 -7.583 583 HD13 LEU 69 3HD1 LEU 69 -2.769 0.553 -9.107 584 HD21 LEU 69 3HD2 LEU 69 -4.719 -2.013 -10.910 585 HD22 LEU 69 1HD2 LEU 69 -3.166 -2.308 -10.125 586 HD23 LEU 69 2HD2 LEU 69 -3.422 -0.828 -11.051 587 H TYR 70 H TYR 70 -8.422 -2.123 -7.357 588 HA TYR 70 HA TYR 70 -8.613 -3.824 -5.087 589 HB2 TYR 70 2HB TYR 70 -10.187 -3.860 -7.676 590 HB3 TYR 70 1HB TYR 70 -10.617 -4.771 -6.237 591 HD1 TYR 70 HD1 TYR 70 -10.085 -2.657 -4.147 592 HD2 TYR 70 HD2 TYR 70 -12.031 -2.448 -7.931 593 HE1 TYR 70 HE1 TYR 70 -11.469 -0.790 -3.331 594 HE2 TYR 70 HE2 TYR 70 -13.407 -0.580 -7.128 595 HH TYR 70 HH TYR 70 -14.235 0.285 -4.967 596 HA PRO 71 HA PRO 71 -6.749 -7.752 -6.235 597 HB2 PRO 71 2HB PRO 71 -9.499 -8.935 -6.081 598 HB3 PRO 71 1HB PRO 71 -7.989 -9.504 -5.356 599 HG2 PRO 71 2HG PRO 71 -9.811 -8.261 -3.869 600 HG3 PRO 71 1HG PRO 71 -8.083 -7.947 -3.625 601 HD2 PRO 71 2HD PRO 71 -10.150 -6.247 -4.945 602 HD3 PRO 71 1HD PRO 71 -8.734 -5.766 -3.988 603 H ASP 72 H ASP 72 -10.000 -7.476 -7.688 604 HA ASP 72 HA ASP 72 -8.842 -8.108 -10.338 605 HB2 ASP 72 2HB ASP 72 -11.502 -8.980 -9.178 606 HB3 ASP 72 1HB ASP 72 -11.052 -9.182 -10.869 607 H GLY 73 H GLY 73 -9.471 -5.478 -9.009 608 HA2 GLY 73 2HA GLY 73 -10.545 -3.485 -9.445 609 HA3 GLY 73 1HA GLY 73 -10.817 -4.105 -11.067 610 H ASP 74 H ASP 74 -12.055 -6.008 -8.514 611 HA ASP 74 HA ASP 74 -14.798 -5.222 -9.243 612 HB2 ASP 74 2HB ASP 74 -14.100 -7.513 -9.898 613 HB3 ASP 74 1HB ASP 74 -13.779 -7.885 -8.207 614 H PHE 75 H PHE 75 -16.305 -4.828 -7.667 615 HA PHE 75 HA PHE 75 -15.432 -3.924 -5.140 616 HB2 PHE 75 2HB PHE 75 -17.872 -3.665 -4.646 617 HB3 PHE 75 1HB PHE 75 -17.364 -2.917 -6.153 618 HD1 PHE 75 HD1 PHE 75 -18.004 -3.921 -8.318 619 HD2 PHE 75 HD2 PHE 75 -19.430 -5.494 -4.622 620 HE1 PHE 75 HE1 PHE 75 -19.762 -5.153 -9.521 621 HE2 PHE 75 HE2 PHE 75 -21.185 -6.728 -5.822 622 HZ PHE 75 HZ PHE 75 -21.353 -6.559 -8.273 623 H GLY 76 H GLY 76 -17.058 -6.932 -6.101 624 HA2 GLY 76 2HA GLY 76 -17.520 -7.866 -3.439 625 HA3 GLY 76 1HA GLY 76 -17.606 -8.827 -4.908 626 H SER 77 H SER 77 -15.122 -8.775 -5.907 627 HA SER 77 HA SER 77 -13.681 -10.668 -4.469 628 HB2 SER 77 2HB SER 77 -13.329 -10.241 -6.871 629 HB3 SER 77 1HB SER 77 -12.586 -8.688 -6.490 630 HG SER 77 HG SER 77 -11.017 -10.328 -6.838 631 H ALA 78 H ALA 78 -13.657 -7.204 -4.126 632 HA ALA 78 HA ALA 78 -11.166 -7.034 -2.709 633 HB1 ALA 78 3HB ALA 78 -12.047 -5.145 -3.991 634 HB2 ALA 78 1HB ALA 78 -11.785 -4.709 -2.302 635 HB3 ALA 78 2HB ALA 78 -13.418 -5.029 -2.888 636 H ASN 79 H ASN 79 -14.593 -6.838 -1.679 637 HA ASN 79 HA ASN 79 -13.907 -6.464 1.078 638 HB2 ASN 79 2HB ASN 79 -16.543 -7.020 -0.284 639 HB3 ASN 79 1HB ASN 79 -16.391 -6.776 1.453 640 HD21 ASN 79 1HD2 ASN 79 -16.256 -5.269 -1.666 641 HD22 ASN 79 2HD2 ASN 79 -16.218 -3.642 -1.096 642 H LYS 80 H LYS 80 -14.840 -9.301 -0.834 643 HA LYS 80 HA LYS 80 -15.304 -11.004 1.402 644 HB2 LYS 80 2HB LYS 80 -15.247 -12.851 -0.157 645 HB3 LYS 80 1HB LYS 80 -16.133 -11.514 -0.876 646 HG2 LYS 80 2HG LYS 80 -14.362 -10.994 -2.352 647 HG3 LYS 80 1HG LYS 80 -13.222 -12.000 -1.463 648 HD2 LYS 80 2HD LYS 80 -15.630 -13.047 -2.960 649 HD3 LYS 80 1HD LYS 80 -13.982 -13.027 -3.593 650 HE2 LYS 80 2HE LYS 80 -13.278 -14.420 -1.652 651 HE3 LYS 80 1HE LYS 80 -14.966 -14.521 -1.155 652 HZ1 LYS 80 3HZ LYS 80 -15.496 -15.674 -3.165 653 HZ2 LYS 80 1HZ LYS 80 -14.185 -16.456 -2.437 654 HZ3 LYS 80 2HZ LYS 80 -13.938 -15.456 -3.775 655 H ASN 81 H ASN 81 -12.417 -10.259 -0.479 656 HA ASN 81 HA ASN 81 -10.843 -12.282 0.927 657 HB2 ASN 81 2HB ASN 81 -10.223 -10.466 -1.409 658 HB3 ASN 81 1HB ASN 81 -9.045 -11.569 -0.699 659 HD21 ASN 81 1HD2 ASN 81 -10.256 -11.457 -3.384 660 HD22 ASN 81 2HD2 ASN 81 -10.929 -13.024 -3.643 661 H GLY 82 H GLY 82 -11.108 -8.773 0.672 662 HA2 GLY 82 2HA GLY 82 -10.353 -7.132 2.111 663 HA3 GLY 82 1HA GLY 82 -9.748 -8.397 3.166 664 H THR 83 H THR 83 -8.698 -8.431 -0.114 665 HA THR 83 HA THR 83 -6.015 -7.537 0.724 666 HB THR 83 HB THR 83 -5.172 -8.732 -1.273 667 HG1 THR 83 HG1 THR 83 -7.211 -8.541 -2.471 668 HG21 THR 83 3HG2 THR 83 -5.282 -9.936 0.851 669 HG22 THR 83 1HG2 THR 83 -5.618 -11.025 -0.494 670 HG23 THR 83 2HG2 THR 83 -6.943 -10.424 0.505 671 H LEU 84 H LEU 84 -4.905 -5.962 -0.397 672 HA LEU 84 HA LEU 84 -6.311 -4.584 -2.600 673 HB2 LEU 84 2HB LEU 84 -6.637 -3.396 -0.418 674 HB3 LEU 84 1HB LEU 84 -4.898 -3.224 -0.293 675 HG LEU 84 HG LEU 84 -4.921 -1.858 -2.384 676 HD11 LEU 84 1HD1 LEU 84 -6.966 -2.712 -3.391 677 HD12 LEU 84 2HD1 LEU 84 -7.053 -0.962 -3.193 678 HD13 LEU 84 3HD1 LEU 84 -7.922 -2.019 -2.079 679 HD21 LEU 84 3HD2 LEU 84 -5.857 0.155 -1.345 680 HD22 LEU 84 1HD2 LEU 84 -4.900 -0.782 -0.198 681 HD23 LEU 84 2HD2 LEU 84 -6.663 -0.842 -0.133 682 H LYS 85 H LYS 85 -4.993 -3.873 -4.277 683 HA LYS 85 HA LYS 85 -2.185 -4.655 -4.146 684 HB2 LYS 85 2HB LYS 85 -3.939 -3.773 -6.436 685 HB3 LYS 85 1HB LYS 85 -2.196 -3.937 -6.605 686 HG2 LYS 85 2HG LYS 85 -2.551 -6.333 -5.713 687 HG3 LYS 85 1HG LYS 85 -4.248 -6.070 -6.124 688 HD2 LYS 85 2HD LYS 85 -1.958 -5.708 -8.068 689 HD3 LYS 85 1HD LYS 85 -2.891 -7.195 -7.916 690 HE2 LYS 85 2HE LYS 85 -4.145 -4.524 -8.533 691 HE3 LYS 85 1HE LYS 85 -3.582 -5.633 -9.779 692 HZ1 LYS 85 3HZ LYS 85 -5.670 -6.202 -7.750 693 HZ2 LYS 85 1HZ LYS 85 -5.103 -7.309 -8.896 694 HZ3 LYS 85 2HZ LYS 85 -5.926 -5.919 -9.395 695 H LEU 86 H LEU 86 -0.882 -3.238 -3.218 696 HA LEU 86 HA LEU 86 -1.143 -0.378 -3.539 697 HB2 LEU 86 2HB LEU 86 0.710 -2.219 -2.076 698 HB3 LEU 86 1HB LEU 86 1.236 -0.578 -2.382 699 HG LEU 86 HG LEU 86 0.226 -0.935 -0.123 700 HD11 LEU 86 1HD1 LEU 86 -1.131 1.098 -0.159 701 HD12 LEU 86 2HD1 LEU 86 -1.215 1.017 -1.918 702 HD13 LEU 86 3HD1 LEU 86 0.335 1.286 -1.120 703 HD21 LEU 86 3HD2 LEU 86 -2.184 -1.166 0.090 704 HD22 LEU 86 1HD2 LEU 86 -1.522 -2.539 -0.797 705 HD23 LEU 86 2HD2 LEU 86 -2.355 -1.249 -1.664 706 H SER 87 H SER 87 -0.511 0.611 -5.370 707 HA SER 87 HA SER 87 1.645 -0.493 -7.014 708 HB2 SER 87 2HB SER 87 -0.380 0.376 -8.130 709 HB3 SER 87 1HB SER 87 -0.087 1.967 -7.429 710 HG SER 87 HG SER 87 0.669 1.756 -9.602 711 H LEU 88 H LEU 88 3.679 -0.035 -6.349 712 HA LEU 88 HA LEU 88 4.223 2.635 -5.205 713 HB2 LEU 88 2HB LEU 88 5.407 -0.064 -4.671 714 HB3 LEU 88 1HB LEU 88 6.375 1.368 -4.388 715 HG LEU 88 HG LEU 88 4.672 2.191 -2.795 716 HD11 LEU 88 1HD1 LEU 88 3.344 -0.471 -3.294 717 HD12 LEU 88 2HD1 LEU 88 2.687 1.126 -3.661 718 HD13 LEU 88 3HD1 LEU 88 2.941 0.642 -1.985 719 HD21 LEU 88 3HD2 LEU 88 5.184 0.613 -1.012 720 HD22 LEU 88 1HD2 LEU 88 6.603 0.917 -2.011 721 HD23 LEU 88 2HD2 LEU 88 5.697 -0.585 -2.202 722 H MET 89 H MET 89 5.834 3.900 -5.972 723 HA MET 89 HA MET 89 7.421 2.932 -8.259 724 HB2 MET 89 2HB MET 89 7.943 5.388 -8.606 725 HB3 MET 89 1HB MET 89 6.266 4.930 -8.860 726 HG2 MET 89 2HG MET 89 5.629 5.857 -6.738 727 HG3 MET 89 1HG MET 89 7.312 6.167 -6.320 728 HE1 MET 89 3HE MET 89 5.824 6.718 -9.919 729 HE2 MET 89 1HE MET 89 5.216 8.370 -9.807 730 HE3 MET 89 2HE MET 89 4.437 7.081 -8.892 731 H LEU 90 H LEU 90 9.273 2.041 -7.544 732 HA LEU 90 HA LEU 90 10.564 3.100 -5.134 733 HB2 LEU 90 2HB LEU 90 11.165 0.576 -6.694 734 HB3 LEU 90 1HB LEU 90 11.913 1.041 -5.180 735 HG LEU 90 HG LEU 90 10.323 -0.618 -4.637 736 HD11 LEU 90 1HD1 LEU 90 8.722 0.529 -3.205 737 HD12 LEU 90 2HD1 LEU 90 9.036 2.048 -4.047 738 HD13 LEU 90 3HD1 LEU 90 10.314 1.276 -3.106 739 HD21 LEU 90 3HD2 LEU 90 7.966 -0.532 -5.313 740 HD22 LEU 90 1HD2 LEU 90 9.046 -0.615 -6.706 741 HD23 LEU 90 2HD2 LEU 90 8.292 0.918 -6.264 742 H THR 91 H THR 91 11.937 4.756 -5.560 743 HA THR 91 HA THR 91 13.653 4.651 -7.941 744 HB THR 91 HB THR 91 13.383 6.848 -5.866 745 HG1 THR 91 HG1 THR 91 12.275 7.910 -7.650 746 HG21 THR 91 3HG2 THR 91 14.577 8.243 -7.525 747 HG22 THR 91 1HG2 THR 91 14.828 6.814 -8.527 748 HG23 THR 91 2HG2 THR 91 15.574 6.914 -6.931 749 H ASP 92 H ASP 92 15.537 3.566 -7.765 750 HA ASP 92 HA ASP 92 16.835 3.126 -5.237 751 HB2 ASP 92 2HB ASP 92 16.939 1.491 -7.113 752 HB3 ASP 92 1HB ASP 92 17.911 2.636 -8.031 753 H LYS 93 H LYS 93 18.539 4.190 -4.336 754 HA LYS 93 HA LYS 93 18.984 6.889 -5.156 755 HB2 LYS 93 2HB LYS 93 20.194 5.188 -2.976 756 HB3 LYS 93 1HB LYS 93 20.693 6.850 -3.249 757 HG2 LYS 93 2HG LYS 93 19.078 6.738 -1.449 758 HG3 LYS 93 1HG LYS 93 18.399 7.612 -2.822 759 HD2 LYS 93 2HD LYS 93 17.079 5.694 -3.457 760 HD3 LYS 93 1HD LYS 93 17.870 4.692 -2.237 761 HE2 LYS 93 2HE LYS 93 15.631 5.407 -1.525 762 HE3 LYS 93 1HE LYS 93 16.888 6.030 -0.460 763 HZ1 LYS 93 3HZ LYS 93 15.125 7.655 -1.064 764 HZ2 LYS 93 1HZ LYS 93 15.679 7.609 -2.662 765 HZ3 LYS 93 2HZ LYS 93 16.694 8.171 -1.431 766 H LYS 94 H LYS 94 20.938 3.944 -5.435 767 HA LYS 94 HA LYS 94 23.271 5.506 -6.284 768 HB2 LYS 94 2HB LYS 94 24.573 3.560 -5.922 769 HB3 LYS 94 1HB LYS 94 23.431 3.638 -4.589 770 HG2 LYS 94 2HG LYS 94 22.013 2.053 -6.186 771 HG3 LYS 94 1HG LYS 94 23.612 1.684 -6.831 772 HD2 LYS 94 2HD LYS 94 23.199 0.081 -5.134 773 HD3 LYS 94 1HD LYS 94 24.334 1.241 -4.439 774 HE2 LYS 94 2HE LYS 94 22.693 0.828 -2.775 775 HE3 LYS 94 1HE LYS 94 22.333 2.421 -3.441 776 HZ1 LYS 94 3HZ LYS 94 20.690 1.220 -4.931 777 HZ2 LYS 94 1HZ LYS 94 20.294 1.295 -3.289 778 HZ3 LYS 94 2HZ LYS 94 20.914 -0.132 -3.935 779 H ASN 95 H ASN 95 20.712 3.767 -7.706 780 HA ASN 95 HA ASN 95 22.160 3.580 -10.275 781 HB2 ASN 95 2HB ASN 95 19.648 2.183 -9.322 782 HB3 ASN 95 1HB ASN 95 20.226 2.118 -10.983 783 HD21 ASN 95 1HD2 ASN 95 20.795 1.088 -7.718 784 HD22 ASN 95 2HD2 ASN 95 21.977 -0.109 -8.102 785 H ASN 96 H ASN 96 19.554 5.183 -8.640 786 HA ASN 96 HA ASN 96 18.002 6.724 -9.244 787 HB2 ASN 96 2HB ASN 96 19.888 7.164 -11.569 788 HB3 ASN 96 1HB ASN 96 18.547 8.227 -11.161 789 HD21 ASN 96 1HD2 ASN 96 18.952 7.905 -8.287 790 HD22 ASN 96 2HD2 ASN 96 20.354 8.830 -7.898 791 H GLN 97 H GLN 97 17.933 3.911 -10.329 792 HA GLN 97 HA GLN 97 16.367 4.141 -12.762 793 HB2 GLN 97 2HB GLN 97 17.167 1.795 -11.027 794 HB3 GLN 97 1HB GLN 97 16.127 1.631 -12.434 795 HG2 GLN 97 2HG GLN 97 18.905 2.788 -12.556 796 HG3 GLN 97 1HG GLN 97 18.547 1.080 -12.800 797 HE21 GLN 97 1HE2 GLN 97 17.379 0.455 -14.644 798 HE22 GLN 97 2HE2 GLN 97 17.247 1.487 -16.021 799 H VAL 98 H VAL 98 14.177 4.128 -12.882 800 HA VAL 98 HA VAL 98 12.647 4.142 -10.407 801 HB VAL 98 HB VAL 98 12.099 5.865 -12.005 802 HG11 VAL 98 1HG1 VAL 98 11.412 3.664 -13.956 803 HG12 VAL 98 2HG1 VAL 98 12.801 4.746 -14.060 804 HG13 VAL 98 3HG1 VAL 98 11.168 5.392 -14.213 805 HG21 VAL 98 3HG2 VAL 98 9.676 5.520 -12.223 806 HG22 VAL 98 1HG2 VAL 98 10.265 5.017 -10.636 807 HG23 VAL 98 2HG2 VAL 98 9.890 3.806 -11.863 808 H TYR 99 H TYR 99 12.046 2.260 -9.577 809 HA TYR 99 HA TYR 99 11.417 -0.002 -11.350 810 HB2 TYR 99 2HB TYR 99 13.140 -0.320 -9.567 811 HB3 TYR 99 1HB TYR 99 11.903 -0.007 -8.356 812 HD1 TYR 99 HD2 TYR 99 13.106 -2.396 -10.886 813 HD2 TYR 99 HD1 TYR 99 10.247 -1.700 -7.803 814 HE1 TYR 99 HE2 TYR 99 12.524 -4.783 -10.893 815 HE2 TYR 99 HE1 TYR 99 9.664 -4.091 -7.802 816 HH TYR 99 HH TYR 99 9.783 -6.017 -9.445 817 H TYR 100 H TYR 100 9.440 -1.006 -11.319 818 HA TYR 100 HA TYR 100 7.305 0.315 -9.761 819 HB2 TYR 100 2HB TYR 100 7.025 -1.292 -12.319 820 HB3 TYR 100 1HB TYR 100 5.758 -0.378 -11.506 821 HD1 TYR 100 HD2 TYR 100 5.805 2.109 -11.535 822 HD2 TYR 100 HD1 TYR 100 8.626 -0.197 -13.740 823 HE1 TYR 100 HE2 TYR 100 6.390 4.096 -12.861 824 HE2 TYR 100 HE1 TYR 100 9.218 1.784 -15.064 825 HH TYR 100 HH TYR 100 8.211 4.944 -14.221 826 H LYS 101 H LYS 101 6.128 -0.878 -8.321 827 HA LYS 101 HA LYS 101 6.263 -3.811 -8.455 828 HB2 LYS 101 2HB LYS 101 8.127 -3.047 -7.009 829 HB3 LYS 101 1HB LYS 101 6.972 -2.228 -5.972 830 HG2 LYS 101 2HG LYS 101 7.446 -4.198 -4.832 831 HG3 LYS 101 1HG LYS 101 5.913 -4.548 -5.628 832 HD2 LYS 101 2HD LYS 101 8.522 -5.283 -6.934 833 HD3 LYS 101 1HD LYS 101 7.826 -6.317 -5.689 834 HE2 LYS 101 2HE LYS 101 6.360 -5.468 -8.191 835 HE3 LYS 101 1HE LYS 101 7.260 -6.976 -8.038 836 HZ1 LYS 101 3HZ LYS 101 5.804 -7.624 -6.227 837 HZ2 LYS 101 1HZ LYS 101 4.909 -7.304 -7.625 838 HZ3 LYS 101 2HZ LYS 101 4.936 -6.179 -6.368 839 H LEU 102 H LEU 102 4.230 -4.547 -8.358 840 HA LEU 102 HA LEU 102 2.173 -3.129 -6.853 841 HB2 LEU 102 2HB LEU 102 2.042 -5.686 -8.467 842 HB3 LEU 102 1HB LEU 102 0.665 -4.898 -7.723 843 HG LEU 102 HG LEU 102 2.365 -3.747 -9.945 844 HD11 LEU 102 1HD1 LEU 102 -0.460 -4.814 -9.970 845 HD12 LEU 102 2HD1 LEU 102 0.950 -5.578 -10.706 846 HD13 LEU 102 3HD1 LEU 102 0.362 -4.035 -11.323 847 HD21 LEU 102 3HD2 LEU 102 -0.106 -2.638 -8.605 848 HD22 LEU 102 1HD2 LEU 102 0.687 -1.957 -10.026 849 HD23 LEU 102 2HD2 LEU 102 1.530 -1.989 -8.479 850 H LEU 103 H LEU 103 1.428 -3.728 -4.877 851 HA LEU 103 HA LEU 103 2.547 -6.188 -3.660 852 HB2 LEU 103 2HB LEU 103 1.949 -3.513 -2.388 853 HB3 LEU 103 1HB LEU 103 2.417 -4.948 -1.492 854 HG LEU 103 HG LEU 103 4.159 -3.694 -3.620 855 HD11 LEU 103 1HD1 LEU 103 4.231 -3.263 -0.632 856 HD12 LEU 103 2HD1 LEU 103 3.775 -2.068 -1.847 857 HD13 LEU 103 3HD1 LEU 103 5.426 -2.682 -1.792 858 HD21 LEU 103 3HD2 LEU 103 5.932 -4.996 -2.511 859 HD22 LEU 103 1HD2 LEU 103 4.654 -6.036 -3.142 860 HD23 LEU 103 2HD2 LEU 103 4.734 -5.688 -1.413 861 H GLU 104 H GLU 104 0.882 -7.654 -3.619 862 HA GLU 104 HA GLU 104 -1.809 -6.829 -2.921 863 HB2 GLU 104 2HB GLU 104 -0.646 -9.614 -3.215 864 HB3 GLU 104 1HB GLU 104 -2.353 -9.228 -3.040 865 HG2 GLU 104 2HG GLU 104 -2.304 -8.015 -5.166 866 HG3 GLU 104 1HG GLU 104 -0.589 -8.391 -5.340 867 H VAL 105 H VAL 105 -1.974 -6.095 -0.881 868 HA VAL 105 HA VAL 105 -0.837 -7.716 1.314 869 HB VAL 105 HB VAL 105 -1.086 -5.609 2.688 870 HG11 VAL 105 1HG1 VAL 105 0.736 -5.483 0.273 871 HG12 VAL 105 2HG1 VAL 105 1.083 -6.292 1.803 872 HG13 VAL 105 3HG1 VAL 105 0.926 -4.537 1.751 873 HG21 VAL 105 3HG2 VAL 105 -1.330 -3.483 1.517 874 HG22 VAL 105 1HG2 VAL 105 -2.746 -4.496 1.236 875 HG23 VAL 105 2HG2 VAL 105 -1.520 -4.328 -0.020 876 H SER 106 H SER 106 -2.098 -7.716 3.366 877 HA SER 106 HA SER 106 -4.980 -8.016 2.758 878 HB2 SER 106 2HB SER 106 -4.958 -9.926 4.360 879 HB3 SER 106 1HB SER 106 -3.917 -10.192 2.964 880 HG SER 106 HG SER 106 -3.148 -10.551 5.328 881 H GLY 107 H GLY 107 -6.416 -8.013 4.692 882 HA2 GLY 107 2HA GLY 107 -6.606 -7.596 7.103 883 HA3 GLY 107 1HA GLY 107 -5.354 -6.382 6.927 884 H PHE 108 H PHE 108 -6.857 -5.616 4.320 885 HA PHE 108 HA PHE 108 -8.060 -3.318 5.444 886 HB2 PHE 108 2HB PHE 108 -8.173 -4.421 2.627 887 HB3 PHE 108 1HB PHE 108 -8.771 -2.832 3.094 888 HD1 PHE 108 HD1 PHE 108 -5.691 -4.926 3.138 889 HD2 PHE 108 HD2 PHE 108 -7.331 -0.994 3.080 890 HE1 PHE 108 HE1 PHE 108 -3.440 -3.990 2.842 891 HE2 PHE 108 HE2 PHE 108 -5.077 -0.059 2.774 892 HZ PHE 108 HZ PHE 108 -3.128 -1.556 2.657 893 H LYS 109 H LYS 109 -9.408 -6.422 4.637 894 HA LYS 109 HA LYS 109 -11.941 -5.715 5.792 895 HB2 LYS 109 2HB LYS 109 -11.864 -4.953 3.235 896 HB3 LYS 109 1HB LYS 109 -12.219 -6.651 2.956 897 HG2 LYS 109 2HG LYS 109 -14.293 -5.518 2.972 898 HG3 LYS 109 1HG LYS 109 -14.190 -6.386 4.505 899 HD2 LYS 109 2HD LYS 109 -13.446 -4.304 5.611 900 HD3 LYS 109 1HD LYS 109 -13.612 -3.447 4.077 901 HE2 LYS 109 2HE LYS 109 -15.572 -3.016 5.383 902 HE3 LYS 109 1HE LYS 109 -16.027 -4.093 4.062 903 HZ1 LYS 109 3HZ LYS 109 -15.790 -5.957 5.662 904 HZ2 LYS 109 1HZ LYS 109 -17.029 -4.875 6.053 905 HZ3 LYS 109 2HZ LYS 109 -15.569 -4.829 6.896 906 H SER 110 H SER 110 -13.525 -7.661 5.576 907 HA SER 110 HA SER 110 -12.552 -10.188 4.707 908 HB2 SER 110 2HB SER 110 -12.374 -11.329 6.892 909 HB3 SER 110 1HB SER 110 -11.169 -10.053 6.736 910 HG SER 110 HG SER 110 -13.661 -9.563 7.986 911 H ASN 111 H ASN 111 -14.601 -10.157 3.682 912 HA ASN 111 HA ASN 111 -16.804 -10.967 5.469 913 HB2 ASN 111 2HB ASN 111 -17.117 -9.025 3.159 914 HB3 ASN 111 1HB ASN 111 -18.411 -9.625 4.188 915 HD21 ASN 111 1HD2 ASN 111 -18.510 -8.899 6.356 916 HD22 ASN 111 2HD2 ASN 111 -17.708 -7.456 6.852 917 HA PRO 112 HA PRO 112 -16.205 -13.933 1.877 918 HB2 PRO 112 2HB PRO 112 -16.643 -16.190 3.399 919 HB3 PRO 112 1HB PRO 112 -15.053 -15.477 3.110 920 HG2 PRO 112 2HG PRO 112 -16.854 -15.200 5.485 921 HG3 PRO 112 1HG PRO 112 -15.093 -15.396 5.431 922 HD2 PRO 112 2HD PRO 112 -16.255 -12.998 5.865 923 HD3 PRO 112 1HD PRO 112 -14.727 -13.154 4.974 924 H TYR 113 H TYR 113 -18.445 -15.063 4.433 925 HA TYR 113 HA TYR 113 -20.571 -15.388 2.488 926 HB2 TYR 113 2HB TYR 113 -21.860 -16.296 4.446 927 HB3 TYR 113 1HB TYR 113 -20.348 -17.135 4.124 928 HD1 TYR 113 HD1 TYR 113 -18.478 -16.982 5.681 929 HD2 TYR 113 HD2 TYR 113 -22.133 -14.944 6.471 930 HE1 TYR 113 HE1 TYR 113 -17.778 -16.636 8.012 931 HE2 TYR 113 HE2 TYR 113 -21.438 -14.591 8.801 932 HH TYR 113 HH TYR 113 -19.872 -15.703 10.452 933 H LEU 114 H LEU 114 -19.481 -12.756 4.092 934 HA LEU 114 HA LEU 114 -22.132 -11.628 4.664 935 HB2 LEU 114 2HB LEU 114 -19.368 -10.618 5.335 936 HB3 LEU 114 1HB LEU 114 -20.847 -9.749 5.698 937 HG LEU 114 HG LEU 114 -20.087 -12.458 6.812 938 HD11 LEU 114 1HD1 LEU 114 -18.702 -10.652 7.706 939 HD12 LEU 114 2HD1 LEU 114 -19.800 -11.286 8.930 940 HD13 LEU 114 3HD1 LEU 114 -20.154 -9.748 8.141 941 HD21 LEU 114 3HD2 LEU 114 -22.444 -10.672 7.440 942 HD22 LEU 114 1HD2 LEU 114 -22.032 -12.170 8.275 943 HD23 LEU 114 2HD2 LEU 114 -22.508 -12.211 6.577 944 H GLU 115 H GLU 115 -19.567 -11.407 2.316 945 HA GLU 115 HA GLU 115 -20.290 -8.826 1.301 946 HB2 GLU 115 2HB GLU 115 -18.050 -9.979 1.004 947 HB3 GLU 115 1HB GLU 115 -18.818 -11.015 -0.188 948 HG2 GLU 115 2HG GLU 115 -18.764 -8.011 -0.415 949 HG3 GLU 115 1HG GLU 115 -17.501 -9.048 -1.070 950 H HIS 116 H HIS 116 -20.559 -11.977 -0.416 951 HA HIS 116 HA HIS 116 -22.834 -11.070 -1.930 952 HB2 HIS 116 2HB HIS 116 -21.519 -13.784 -1.675 953 HB3 HIS 116 1HB HIS 116 -22.917 -13.488 -2.703 954 HD1 HIS 116 HD1 HIS 116 -22.387 -11.286 -4.426 955 HD2 HIS 116 HD2 HIS 116 -19.224 -13.632 -3.098 956 HE1 HIS 116 HE1 HIS 116 -20.540 -10.918 -6.081 957 HE2 HIS 116 HE2 HIS 116 -18.583 -12.179 -5.140 958 H HIS 117 H HIS 117 -23.682 -10.620 0.527 959 HA HIS 117 HA HIS 117 -25.056 -12.977 1.603 960 HB2 HIS 117 2HB HIS 117 -23.618 -11.527 3.058 961 HB3 HIS 117 1HB HIS 117 -24.769 -10.218 2.816 962 HD1 HIS 117 HD1 HIS 117 -26.148 -9.970 4.849 963 HD2 HIS 117 HD2 HIS 117 -25.284 -13.957 4.067 964 HE1 HIS 117 HE1 HIS 117 -27.277 -11.273 6.670 965 HE2 HIS 117 HE2 HIS 117 -26.561 -13.652 6.290 966 H HIS 118 H HIS 118 -25.789 -10.579 -0.550 967 HA HIS 118 HA HIS 118 -28.642 -10.505 0.238 968 HB2 HIS 118 2HB HIS 118 -27.136 -8.533 -1.505 969 HB3 HIS 118 1HB HIS 118 -28.835 -8.426 -1.050 970 HD1 HIS 118 HD1 HIS 118 -25.402 -7.748 0.194 971 HD2 HIS 118 HD2 HIS 118 -29.297 -7.649 1.642 972 HE1 HIS 118 HE1 HIS 118 -25.289 -6.464 2.346 973 HE2 HIS 118 HE2 HIS 118 -27.631 -6.503 3.252 974 H HIS 119 H HIS 119 -30.028 -11.567 -1.028 975 HA HIS 119 HA HIS 119 -29.281 -12.235 -3.795 976 HB2 HIS 119 2HB HIS 119 -30.115 -14.061 -2.320 977 HB3 HIS 119 1HB HIS 119 -31.649 -13.212 -2.167 978 HD1 HIS 119 HD1 HIS 119 -29.549 -15.061 -4.698 979 HD2 HIS 119 HD2 HIS 119 -33.415 -13.594 -4.271 980 HE1 HIS 119 HE1 HIS 119 -30.838 -15.986 -6.642 981 HE2 HIS 119 HE2 HIS 119 -33.202 -15.208 -6.284 982 H HIS 120 H HIS 120 -31.715 -10.544 -1.900 983 HA HIS 120 HA HIS 120 -32.242 -8.842 -4.240 984 HB2 HIS 120 2HB HIS 120 -34.338 -9.942 -2.344 985 HB3 HIS 120 1HB HIS 120 -34.626 -8.567 -3.405 986 HD1 HIS 120 HD1 HIS 120 -35.487 -11.907 -3.301 987 HD2 HIS 120 HD2 HIS 120 -33.739 -9.568 -6.258 988 HE1 HIS 120 HE1 HIS 120 -35.963 -13.087 -5.462 989 HE2 HIS 120 HE2 HIS 120 -35.027 -11.586 -7.244 990 H HIS 121 H HIS 121 -33.411 -8.878 -0.877 991 HA HIS 121 HA HIS 121 -31.643 -6.672 -0.145 992 HB2 HIS 121 2HB HIS 121 -34.663 -6.485 0.093 993 HB3 HIS 121 1HB HIS 121 -33.536 -5.380 0.870 994 HD1 HIS 121 HD1 HIS 121 -32.086 -3.860 -0.779 995 HD2 HIS 121 HD2 HIS 121 -35.257 -5.897 -2.526 996 HE1 HIS 121 HE1 HIS 121 -32.472 -2.733 -2.986 997 HE2 HIS 121 HE2 HIS 121 -34.293 -4.073 -4.083 Start of MODEL 20 1 H1 MET 1 1H MET 1 22.513 -18.066 7.302 2 H2 MET 1 2H MET 1 21.007 -18.705 7.724 3 H3 MET 1 3H MET 1 21.582 -17.321 8.504 4 HA MET 1 HA MET 1 20.904 -17.547 5.634 5 HB2 MET 1 2HB MET 1 19.020 -15.979 6.220 6 HB3 MET 1 1HB MET 1 18.860 -17.615 6.843 7 HG2 MET 1 2HG MET 1 19.780 -15.214 8.415 8 HG3 MET 1 1HG MET 1 18.177 -15.946 8.485 9 HE1 MET 1 3HE MET 1 19.721 -16.939 11.955 10 HE2 MET 1 1HE MET 1 18.341 -16.202 11.138 11 HE3 MET 1 2HE MET 1 19.921 -15.420 11.082 12 H LEU 2 H LEU 2 22.964 -16.629 5.136 13 HA LEU 2 HA LEU 2 22.891 -13.678 5.341 14 HB2 LEU 2 2HB LEU 2 25.334 -15.464 5.162 15 HB3 LEU 2 1HB LEU 2 25.374 -13.724 4.972 16 HG LEU 2 HG LEU 2 24.402 -13.618 7.356 17 HD11 LEU 2 1HD1 LEU 2 24.936 -15.538 8.788 18 HD12 LEU 2 2HD1 LEU 2 25.393 -16.466 7.359 19 HD13 LEU 2 3HD1 LEU 2 23.726 -15.936 7.569 20 HD21 LEU 2 3HD2 LEU 2 26.634 -13.811 8.355 21 HD22 LEU 2 1HD2 LEU 2 26.686 -12.966 6.808 22 HD23 LEU 2 2HD2 LEU 2 27.208 -14.648 6.912 23 H SER 3 H SER 3 23.252 -12.537 3.377 24 HA SER 3 HA SER 3 23.836 -14.019 0.956 25 HB2 SER 3 2HB SER 3 21.456 -14.528 1.197 26 HB3 SER 3 1HB SER 3 21.082 -12.810 1.329 27 HG SER 3 HG SER 3 20.956 -12.828 -0.761 28 H GLN 4 H GLN 4 24.069 -12.754 -0.911 29 HA GLN 4 HA GLN 4 23.559 -9.988 -1.075 30 HB2 GLN 4 2HB GLN 4 25.992 -9.254 -1.304 31 HB3 GLN 4 1HB GLN 4 25.409 -9.546 0.323 32 HG2 GLN 4 2HG GLN 4 27.489 -10.521 0.380 33 HG3 GLN 4 1HG GLN 4 26.461 -11.901 0.018 34 HE21 GLN 4 1HE2 GLN 4 28.164 -13.043 -0.915 35 HE22 GLN 4 2HE2 GLN 4 28.814 -12.623 -2.457 36 H ALA 5 H ALA 5 22.997 -9.794 -3.158 37 HA ALA 5 HA ALA 5 24.553 -10.747 -5.334 38 HB1 ALA 5 3HB ALA 5 23.785 -12.921 -4.488 39 HB2 ALA 5 1HB ALA 5 23.134 -12.585 -6.092 40 HB3 ALA 5 2HB ALA 5 22.112 -12.395 -4.667 41 H ASN 6 H ASN 6 22.234 -11.329 -7.070 42 HA ASN 6 HA ASN 6 21.018 -8.677 -7.272 43 HB2 ASN 6 2HB ASN 6 20.673 -11.118 -9.038 44 HB3 ASN 6 1HB ASN 6 20.043 -9.509 -9.374 45 HD21 ASN 6 1HD2 ASN 6 22.409 -8.132 -8.404 46 HD22 ASN 6 2HD2 ASN 6 23.640 -8.396 -9.584 47 H GLU 7 H GLU 7 20.218 -11.974 -6.415 48 HA GLU 7 HA GLU 7 17.395 -11.716 -6.454 49 HB2 GLU 7 2HB GLU 7 17.355 -13.856 -5.280 50 HB3 GLU 7 1HB GLU 7 18.507 -13.893 -6.607 51 HG2 GLU 7 2HG GLU 7 20.359 -13.758 -5.126 52 HG3 GLU 7 1HG GLU 7 19.321 -13.376 -3.754 53 H ASP 8 H ASP 8 19.787 -11.049 -3.966 54 HA ASP 8 HA ASP 8 18.012 -11.201 -1.749 55 HB2 ASP 8 2HB ASP 8 19.830 -10.292 -0.450 56 HB3 ASP 8 1HB ASP 8 20.509 -11.417 -1.625 57 H PHE 9 H PHE 9 19.188 -8.485 -3.726 58 HA PHE 9 HA PHE 9 17.775 -6.468 -2.298 59 HB2 PHE 9 2HB PHE 9 18.900 -6.465 -5.110 60 HB3 PHE 9 1HB PHE 9 18.259 -5.041 -4.299 61 HD1 PHE 9 HD1 PHE 9 19.316 -4.719 -1.825 62 HD2 PHE 9 HD2 PHE 9 21.190 -6.683 -5.110 63 HE1 PHE 9 HE1 PHE 9 21.518 -4.293 -0.819 64 HE2 PHE 9 HE2 PHE 9 23.397 -6.258 -4.105 65 HZ PHE 9 HZ PHE 9 23.563 -5.063 -1.957 66 H LYS 10 H LYS 10 17.042 -8.086 -5.433 67 HA LYS 10 HA LYS 10 14.594 -6.773 -5.863 68 HB2 LYS 10 2HB LYS 10 14.088 -8.409 -7.514 69 HB3 LYS 10 1HB LYS 10 15.824 -8.154 -7.569 70 HG2 LYS 10 2HG LYS 10 16.182 -10.230 -6.334 71 HG3 LYS 10 1HG LYS 10 14.436 -10.485 -6.244 72 HD2 LYS 10 2HD LYS 10 14.363 -10.508 -8.734 73 HD3 LYS 10 1HD LYS 10 16.122 -10.381 -8.757 74 HE2 LYS 10 2HE LYS 10 15.451 -12.689 -9.078 75 HE3 LYS 10 1HE LYS 10 16.273 -12.514 -7.530 76 HZ1 LYS 10 3HZ LYS 10 14.262 -13.906 -7.425 77 HZ2 LYS 10 1HZ LYS 10 13.324 -12.572 -7.866 78 HZ3 LYS 10 2HZ LYS 10 14.174 -12.566 -6.405 79 H LYS 11 H LYS 11 15.373 -9.628 -3.950 80 HA LYS 11 HA LYS 11 12.813 -10.461 -3.225 81 HB2 LYS 11 2HB LYS 11 14.806 -11.703 -2.575 82 HB3 LYS 11 1HB LYS 11 15.337 -10.375 -1.550 83 HG2 LYS 11 2HG LYS 11 13.342 -10.713 -0.132 84 HG3 LYS 11 1HG LYS 11 12.886 -12.086 -1.142 85 HD2 LYS 11 2HD LYS 11 14.995 -13.203 -0.555 86 HD3 LYS 11 1HD LYS 11 15.422 -11.836 0.478 87 HE2 LYS 11 2HE LYS 11 14.504 -13.675 1.800 88 HE3 LYS 11 1HE LYS 11 13.449 -12.264 1.866 89 HZ1 LYS 11 3HZ LYS 11 12.195 -14.312 1.554 90 HZ2 LYS 11 1HZ LYS 11 13.039 -14.637 0.125 91 HZ3 LYS 11 2HZ LYS 11 12.020 -13.295 0.216 92 H ILE 12 H ILE 12 14.895 -8.034 -1.618 93 HA ILE 12 HA ILE 12 13.207 -7.244 0.432 94 HB ILE 12 HB ILE 12 15.069 -5.467 -1.171 95 HG12 ILE 12 2HG1 ILE 12 15.556 -7.015 1.396 96 HG13 ILE 12 1HG1 ILE 12 16.192 -7.435 -0.190 97 HG21 ILE 12 1HG2 ILE 12 15.121 -4.036 0.839 98 HG22 ILE 12 2HG2 ILE 12 13.879 -5.048 1.579 99 HG23 ILE 12 3HG2 ILE 12 13.512 -4.122 0.123 100 HD11 ILE 12 3HD1 ILE 12 16.844 -4.948 1.374 101 HD12 ILE 12 1HD1 ILE 12 17.476 -5.354 -0.220 102 HD13 ILE 12 2HD1 ILE 12 17.880 -6.360 1.171 103 H VAL 13 H VAL 13 13.275 -6.075 -2.923 104 HA VAL 13 HA VAL 13 11.336 -4.052 -2.689 105 HB VAL 13 HB VAL 13 11.968 -5.739 -5.126 106 HG11 VAL 13 1HG1 VAL 13 9.881 -4.501 -5.401 107 HG12 VAL 13 2HG1 VAL 13 11.144 -3.804 -6.415 108 HG13 VAL 13 3HG1 VAL 13 10.682 -3.007 -4.911 109 HG21 VAL 13 3HG2 VAL 13 13.527 -3.934 -5.727 110 HG22 VAL 13 1HG2 VAL 13 13.979 -4.696 -4.201 111 HG23 VAL 13 2HG2 VAL 13 13.178 -3.124 -4.200 112 H ASN 14 H ASN 14 10.948 -7.507 -3.516 113 HA ASN 14 HA ASN 14 8.083 -7.247 -3.815 114 HB2 ASN 14 2HB ASN 14 9.886 -9.678 -3.758 115 HB3 ASN 14 1HB ASN 14 8.143 -9.761 -3.996 116 HD21 ASN 14 1HD2 ASN 14 11.180 -8.880 -5.414 117 HD22 ASN 14 2HD2 ASN 14 10.583 -8.641 -7.017 118 H ASN 15 H ASN 15 10.243 -7.882 -1.197 119 HA ASN 15 HA ASN 15 8.180 -9.104 0.474 120 HB2 ASN 15 2HB ASN 15 11.102 -8.499 0.978 121 HB3 ASN 15 1HB ASN 15 10.029 -9.140 2.215 122 HD21 ASN 15 1HD2 ASN 15 9.979 -10.014 -1.195 123 HD22 ASN 15 2HD2 ASN 15 10.457 -11.654 -0.961 124 H ILE 16 H ILE 16 8.537 -6.073 -0.448 125 HA ILE 16 HA ILE 16 8.559 -4.595 1.974 126 HB ILE 16 HB ILE 16 7.408 -3.876 -0.732 127 HG12 ILE 16 2HG1 ILE 16 10.009 -3.080 0.613 128 HG13 ILE 16 1HG1 ILE 16 9.850 -4.244 -0.699 129 HG21 ILE 16 1HG2 ILE 16 7.903 -2.086 1.654 130 HG22 ILE 16 2HG2 ILE 16 6.326 -2.556 1.021 131 HG23 ILE 16 3HG2 ILE 16 7.398 -1.548 0.050 132 HD11 ILE 16 3HD1 ILE 16 9.036 -2.467 -2.168 133 HD12 ILE 16 1HD1 ILE 16 10.634 -2.103 -1.515 134 HD13 ILE 16 2HD1 ILE 16 9.207 -1.307 -0.850 135 H ARG 17 H ARG 17 6.956 -4.028 3.354 136 HA ARG 17 HA ARG 17 4.165 -4.667 2.713 137 HB2 ARG 17 2HB ARG 17 5.690 -6.409 4.234 138 HB3 ARG 17 1HB ARG 17 4.917 -5.425 5.465 139 HG2 ARG 17 2HG ARG 17 3.577 -7.369 5.088 140 HG3 ARG 17 1HG ARG 17 2.712 -5.974 4.439 141 HD2 ARG 17 2HD ARG 17 3.368 -6.549 2.188 142 HD3 ARG 17 1HD ARG 17 4.412 -7.843 2.779 143 HE ARG 17 HE ARG 17 1.692 -8.206 3.568 144 HH11 ARG 17 1HH1 ARG 17 3.882 -8.605 0.923 145 HH12 ARG 17 2HH1 ARG 17 2.980 -9.920 0.250 146 HH21 ARG 17 1HH2 ARG 17 0.556 -9.891 2.658 147 HH22 ARG 17 2HH2 ARG 17 1.140 -10.628 1.207 148 H LEU 18 H LEU 18 2.653 -3.365 3.797 149 HA LEU 18 HA LEU 18 3.587 -0.794 4.556 150 HB2 LEU 18 2HB LEU 18 1.121 -0.401 5.099 151 HB3 LEU 18 1HB LEU 18 1.552 -0.787 3.448 152 HG LEU 18 HG LEU 18 0.789 -3.122 3.805 153 HD11 LEU 18 1HD1 LEU 18 -0.123 -2.124 6.504 154 HD12 LEU 18 2HD1 LEU 18 1.132 -3.326 6.202 155 HD13 LEU 18 3HD1 LEU 18 -0.544 -3.680 5.787 156 HD21 LEU 18 3HD2 LEU 18 -1.240 -0.976 4.431 157 HD22 LEU 18 1HD2 LEU 18 -1.622 -2.613 3.897 158 HD23 LEU 18 2HD2 LEU 18 -0.741 -1.523 2.831 159 H LYS 19 H LYS 19 4.011 -3.306 6.415 160 HA LYS 19 HA LYS 19 3.560 -1.824 8.916 161 HB2 LYS 19 2HB LYS 19 1.823 -3.652 8.462 162 HB3 LYS 19 1HB LYS 19 3.124 -4.812 8.668 163 HG2 LYS 19 2HG LYS 19 2.452 -2.807 10.804 164 HG3 LYS 19 1HG LYS 19 1.583 -4.331 10.660 165 HD2 LYS 19 2HD LYS 19 4.566 -4.057 11.035 166 HD3 LYS 19 1HD LYS 19 3.407 -4.418 12.312 167 HE2 LYS 19 2HE LYS 19 3.894 -6.127 9.868 168 HE3 LYS 19 1HE LYS 19 4.549 -6.436 11.475 169 HZ1 LYS 19 3HZ LYS 19 2.217 -6.552 12.279 170 HZ2 LYS 19 1HZ LYS 19 2.621 -7.777 11.183 171 HZ3 LYS 19 2HZ LYS 19 1.689 -6.458 10.676 172 H ASP 20 H ASP 20 5.288 -4.414 7.248 173 HA ASP 20 HA ASP 20 7.281 -4.684 9.334 174 HB2 ASP 20 2HB ASP 20 6.359 -6.634 8.073 175 HB3 ASP 20 1HB ASP 20 7.127 -6.018 6.614 176 H THR 21 H THR 21 6.989 -3.054 6.250 177 HA THR 21 HA THR 21 9.887 -2.591 6.075 178 HB THR 21 HB THR 21 7.698 -1.832 4.123 179 HG1 THR 21 HG1 THR 21 8.937 -4.175 4.603 180 HG21 THR 21 3HG2 THR 21 9.634 -0.357 3.905 181 HG22 THR 21 1HG2 THR 21 9.553 -1.465 2.535 182 HG23 THR 21 2HG2 THR 21 10.711 -1.754 3.833 183 H PHE 22 H PHE 22 6.887 -0.671 5.964 184 HA PHE 22 HA PHE 22 8.168 1.507 7.406 185 HB2 PHE 22 2HB PHE 22 7.663 3.198 5.725 186 HB3 PHE 22 1HB PHE 22 8.704 1.965 5.024 187 HD1 PHE 22 HD1 PHE 22 7.751 0.296 3.438 188 HD2 PHE 22 HD2 PHE 22 5.472 3.603 4.868 189 HE1 PHE 22 HE1 PHE 22 6.143 -0.023 1.609 190 HE2 PHE 22 HE2 PHE 22 3.862 3.281 3.036 191 HZ PHE 22 HZ PHE 22 4.194 1.468 1.406 192 H ASP 23 H ASP 23 6.644 3.096 8.178 193 HA ASP 23 HA ASP 23 3.891 2.063 8.364 194 HB2 ASP 23 2HB ASP 23 5.282 4.172 10.045 195 HB3 ASP 23 1HB ASP 23 3.668 3.523 10.325 196 H PHE 24 H PHE 24 2.518 2.939 6.884 197 HA PHE 24 HA PHE 24 2.994 5.692 5.989 198 HB2 PHE 24 2HB PHE 24 1.707 5.242 4.064 199 HB3 PHE 24 1HB PHE 24 2.655 3.789 4.324 200 HD1 PHE 24 HD1 PHE 24 1.419 1.907 5.735 201 HD2 PHE 24 HD2 PHE 24 -0.544 5.038 3.607 202 HE1 PHE 24 HE1 PHE 24 -0.646 0.569 5.661 203 HE2 PHE 24 HE2 PHE 24 -2.607 3.700 3.537 204 HZ PHE 24 HZ PHE 24 -2.659 1.462 4.563 205 H LYS 25 H LYS 25 1.817 7.343 6.695 206 HA LYS 25 HA LYS 25 -0.679 6.770 8.165 207 HB2 LYS 25 2HB LYS 25 1.154 7.743 9.511 208 HB3 LYS 25 1HB LYS 25 1.189 9.139 8.442 209 HG2 LYS 25 2HG LYS 25 -1.147 9.649 9.096 210 HG3 LYS 25 1HG LYS 25 -1.089 8.299 10.233 211 HD2 LYS 25 2HD LYS 25 -0.654 10.350 11.430 212 HD3 LYS 25 1HD LYS 25 0.828 9.396 11.372 213 HE2 LYS 25 2HE LYS 25 1.612 10.775 9.474 214 HE3 LYS 25 1HE LYS 25 0.147 11.751 9.598 215 HZ1 LYS 25 3HZ LYS 25 1.985 12.814 10.721 216 HZ2 LYS 25 1HZ LYS 25 2.232 11.453 11.692 217 HZ3 LYS 25 2HZ LYS 25 0.816 12.360 11.851 218 H LEU 26 H LEU 26 -2.538 7.496 7.317 219 HA LEU 26 HA LEU 26 -2.548 9.091 4.922 220 HB2 LEU 26 2HB LEU 26 -4.845 8.123 6.643 221 HB3 LEU 26 1HB LEU 26 -5.024 8.912 5.091 222 HG LEU 26 HG LEU 26 -5.339 6.593 4.719 223 HD11 LEU 26 1HD1 LEU 26 -2.534 7.296 3.856 224 HD12 LEU 26 2HD1 LEU 26 -4.022 7.720 3.010 225 HD13 LEU 26 3HD1 LEU 26 -3.547 6.029 3.164 226 HD21 LEU 26 3HD2 LEU 26 -2.720 6.085 6.139 227 HD22 LEU 26 1HD2 LEU 26 -3.738 4.867 5.366 228 HD23 LEU 26 2HD2 LEU 26 -4.328 5.743 6.777 229 H ALA 27 H ALA 27 -2.876 11.255 4.717 230 HA ALA 27 HA ALA 27 -2.670 13.018 6.873 231 HB1 ALA 27 3HB ALA 27 -3.266 14.790 5.305 232 HB2 ALA 27 1HB ALA 27 -3.866 13.590 4.159 233 HB3 ALA 27 2HB ALA 27 -2.149 13.646 4.560 234 H ALA 28 H ALA 28 -5.575 11.810 5.237 235 HA ALA 28 HA ALA 28 -7.401 13.463 6.702 236 HB1 ALA 28 3HB ALA 28 -7.948 10.940 5.134 237 HB2 ALA 28 1HB ALA 28 -7.957 12.580 4.485 238 HB3 ALA 28 2HB ALA 28 -9.152 12.103 5.688 239 H PHE 29 H PHE 29 -6.178 10.174 7.098 240 HA PHE 29 HA PHE 29 -7.583 9.991 9.695 241 HB2 PHE 29 2HB PHE 29 -6.765 7.637 7.975 242 HB3 PHE 29 1HB PHE 29 -7.795 7.614 9.402 243 HD1 PHE 29 HD1 PHE 29 -10.026 8.931 9.244 244 HD2 PHE 29 HD2 PHE 29 -7.707 7.775 5.862 245 HE1 PHE 29 HE1 PHE 29 -12.006 9.169 7.804 246 HE2 PHE 29 HE2 PHE 29 -9.686 8.009 4.422 247 HZ PHE 29 HZ PHE 29 -11.840 8.707 5.392 248 HA PRO 30 HA PRO 30 -2.970 9.937 10.274 249 HB2 PRO 30 2HB PRO 30 -2.800 11.756 12.258 250 HB3 PRO 30 1HB PRO 30 -2.962 12.226 10.562 251 HG2 PRO 30 2HG PRO 30 -5.063 12.078 12.696 252 HG3 PRO 30 1HG PRO 30 -4.796 13.339 11.476 253 HD2 PRO 30 2HD PRO 30 -6.684 11.376 11.225 254 HD3 PRO 30 1HD PRO 30 -5.897 12.156 9.838 255 H ASN 31 H ASN 31 -5.590 9.131 12.365 256 HA ASN 31 HA ASN 31 -3.698 7.731 14.158 257 HB2 ASN 31 2HB ASN 31 -6.319 8.992 14.994 258 HB3 ASN 31 1HB ASN 31 -5.187 8.147 16.048 259 HD21 ASN 31 1HD2 ASN 31 -5.802 11.029 14.237 260 HD22 ASN 31 2HD2 ASN 31 -4.554 11.990 14.945 261 H GLN 32 H GLN 32 -5.430 6.887 11.740 262 HA GLN 32 HA GLN 32 -6.770 4.641 13.112 263 HB2 GLN 32 2HB GLN 32 -7.607 6.065 10.583 264 HB3 GLN 32 1HB GLN 32 -8.278 4.518 11.087 265 HG2 GLN 32 2HG GLN 32 -9.004 5.590 13.214 266 HG3 GLN 32 1HG GLN 32 -8.456 7.137 12.569 267 HE21 GLN 32 1HE2 GLN 32 -10.822 4.597 12.297 268 HE22 GLN 32 2HE2 GLN 32 -11.937 5.475 11.311 269 H ASN 33 H ASN 33 -6.156 2.657 12.624 270 HA ASN 33 HA ASN 33 -3.933 2.254 10.826 271 HB2 ASN 33 2HB ASN 33 -4.089 1.190 13.079 272 HB3 ASN 33 1HB ASN 33 -5.447 0.232 12.502 273 HD21 ASN 33 1HD2 ASN 33 -2.024 0.718 12.359 274 HD22 ASN 33 2HD2 ASN 33 -1.645 -0.770 11.570 275 H TYR 34 H TYR 34 -3.875 0.551 9.205 276 HA TYR 34 HA TYR 34 -5.895 0.676 7.292 277 HB2 TYR 34 2HB TYR 34 -4.635 -1.637 6.580 278 HB3 TYR 34 1HB TYR 34 -4.032 -0.026 6.217 279 HD1 TYR 34 HD1 TYR 34 -3.563 -3.008 8.337 280 HD2 TYR 34 HD2 TYR 34 -2.140 0.905 7.414 281 HE1 TYR 34 HE1 TYR 34 -1.487 -3.464 9.596 282 HE2 TYR 34 HE2 TYR 34 -0.077 0.458 8.668 283 HH TYR 34 HH TYR 34 0.796 -0.961 10.334 284 H ASP 35 H ASP 35 -5.467 -1.704 9.882 285 HA ASP 35 HA ASP 35 -7.607 -3.393 8.942 286 HB2 ASP 35 2HB ASP 35 -5.767 -4.334 10.250 287 HB3 ASP 35 1HB ASP 35 -6.174 -3.295 11.611 288 H GLN 36 H GLN 36 -7.577 -0.394 10.369 289 HA GLN 36 HA GLN 36 -10.226 -0.769 11.621 290 HB2 GLN 36 2HB GLN 36 -8.288 1.515 12.067 291 HB3 GLN 36 1HB GLN 36 -9.775 1.209 12.952 292 HG2 GLN 36 2HG GLN 36 -7.305 -0.516 12.985 293 HG3 GLN 36 1HG GLN 36 -7.814 0.596 14.252 294 HE21 GLN 36 1HE2 GLN 36 -10.644 -0.122 13.990 295 HE22 GLN 36 2HE2 GLN 36 -10.799 -1.692 14.688 296 H LEU 37 H LEU 37 -8.958 0.152 8.765 297 HA LEU 37 HA LEU 37 -10.963 2.261 8.303 298 HB2 LEU 37 2HB LEU 37 -8.458 2.981 8.780 299 HB3 LEU 37 1HB LEU 37 -8.223 2.527 7.107 300 HG LEU 37 HG LEU 37 -8.587 4.962 7.453 301 HD11 LEU 37 1HD1 LEU 37 -9.081 3.930 5.298 302 HD12 LEU 37 2HD1 LEU 37 -10.160 5.280 5.640 303 HD13 LEU 37 3HD1 LEU 37 -10.736 3.623 5.822 304 HD21 LEU 37 3HD2 LEU 37 -11.377 4.133 8.254 305 HD22 LEU 37 1HD2 LEU 37 -10.823 5.788 7.988 306 HD23 LEU 37 2HD2 LEU 37 -10.158 4.837 9.316 307 H LEU 38 H LEU 38 -11.927 2.214 6.280 308 HA LEU 38 HA LEU 38 -11.568 -0.235 4.781 309 HB2 LEU 38 2HB LEU 38 -13.530 2.041 4.482 310 HB3 LEU 38 1HB LEU 38 -13.505 0.650 3.417 311 HG LEU 38 HG LEU 38 -15.251 0.332 5.035 312 HD11 LEU 38 1HD1 LEU 38 -13.994 -1.658 4.393 313 HD12 LEU 38 2HD1 LEU 38 -14.595 -1.782 6.045 314 HD13 LEU 38 3HD1 LEU 38 -12.896 -1.411 5.752 315 HD21 LEU 38 3HD2 LEU 38 -13.157 0.742 7.173 316 HD22 LEU 38 1HD2 LEU 38 -14.827 0.244 7.450 317 HD23 LEU 38 2HD2 LEU 38 -14.483 1.839 6.781 318 HA PRO 39 HA PRO 39 -8.702 1.163 1.720 319 HB2 PRO 39 2HB PRO 39 -9.726 -0.278 -0.454 320 HB3 PRO 39 1HB PRO 39 -8.566 -0.878 0.734 321 HG2 PRO 39 2HG PRO 39 -11.534 -1.248 0.628 322 HG3 PRO 39 1HG PRO 39 -10.273 -2.411 1.084 323 HD2 PRO 39 2HD PRO 39 -11.761 -1.211 2.944 324 HD3 PRO 39 1HD PRO 39 -10.026 -1.489 3.214 325 H SER 40 H SER 40 -12.153 1.261 0.882 326 HA SER 40 HA SER 40 -12.062 2.935 -1.353 327 HB2 SER 40 2HB SER 40 -14.188 2.806 0.807 328 HB3 SER 40 1HB SER 40 -14.395 3.556 -0.775 329 HG SER 40 HG SER 40 -15.088 1.618 -1.254 330 H GLN 41 H GLN 41 -12.050 3.745 2.083 331 HA GLN 41 HA GLN 41 -12.215 6.584 1.683 332 HB2 GLN 41 2HB GLN 41 -11.355 5.018 4.124 333 HB3 GLN 41 1HB GLN 41 -11.808 6.717 4.096 334 HG2 GLN 41 2HG GLN 41 -14.076 6.190 3.603 335 HG3 GLN 41 1HG GLN 41 -13.681 4.500 3.290 336 HE21 GLN 41 1HE2 GLN 41 -14.243 6.899 5.733 337 HE22 GLN 41 2HE2 GLN 41 -14.318 5.802 7.066 338 H ILE 42 H ILE 42 -9.619 4.262 2.310 339 HA ILE 42 HA ILE 42 -7.457 5.996 2.688 340 HB ILE 42 HB ILE 42 -7.416 3.297 1.306 341 HG12 ILE 42 2HG1 ILE 42 -7.028 3.969 4.241 342 HG13 ILE 42 1HG1 ILE 42 -8.462 3.217 3.553 343 HG21 ILE 42 1HG2 ILE 42 -5.070 3.185 2.016 344 HG22 ILE 42 2HG2 ILE 42 -5.192 4.816 2.679 345 HG23 ILE 42 3HG2 ILE 42 -5.357 4.555 0.942 346 HD11 ILE 42 3HD1 ILE 42 -7.076 1.557 4.610 347 HD12 ILE 42 1HD1 ILE 42 -5.692 2.040 3.631 348 HD13 ILE 42 2HD1 ILE 42 -7.095 1.292 2.866 349 H TYR 43 H TYR 43 -8.702 4.585 -0.341 350 HA TYR 43 HA TYR 43 -6.758 5.563 -2.087 351 HB2 TYR 43 2HB TYR 43 -8.423 3.836 -2.674 352 HB3 TYR 43 1HB TYR 43 -9.688 5.058 -2.671 353 HD1 TYR 43 HD1 TYR 43 -6.500 4.119 -4.359 354 HD2 TYR 43 HD2 TYR 43 -10.171 6.261 -4.640 355 HE1 TYR 43 HE1 TYR 43 -6.063 4.544 -6.738 356 HE2 TYR 43 HE2 TYR 43 -9.740 6.690 -7.023 357 HH TYR 43 HH TYR 43 -7.842 6.792 -8.570 358 H LYS 44 H LYS 44 -9.529 7.194 -0.695 359 HA LYS 44 HA LYS 44 -9.615 9.370 -2.550 360 HB2 LYS 44 2HB LYS 44 -10.689 9.225 0.278 361 HB3 LYS 44 1HB LYS 44 -11.131 10.421 -0.934 362 HG2 LYS 44 2HG LYS 44 -11.618 7.458 -1.207 363 HG3 LYS 44 1HG LYS 44 -12.809 8.618 -0.622 364 HD2 LYS 44 2HD LYS 44 -11.500 8.710 -3.346 365 HD3 LYS 44 1HD LYS 44 -13.100 8.045 -3.016 366 HE2 LYS 44 2HE LYS 44 -13.761 10.290 -2.122 367 HE3 LYS 44 1HE LYS 44 -12.204 10.908 -2.675 368 HZ1 LYS 44 3HZ LYS 44 -14.313 9.707 -4.387 369 HZ2 LYS 44 1HZ LYS 44 -12.811 10.258 -4.935 370 HZ3 LYS 44 2HZ LYS 44 -13.926 11.349 -4.288 371 H ASN 45 H ASN 45 -7.533 8.640 0.066 372 HA ASN 45 HA ASN 45 -6.953 11.361 0.844 373 HB2 ASN 45 2HB ASN 45 -5.421 8.831 1.492 374 HB3 ASN 45 1HB ASN 45 -5.269 10.382 2.309 375 HD21 ASN 45 1HD2 ASN 45 -8.213 10.815 2.168 376 HD22 ASN 45 2HD2 ASN 45 -8.869 9.783 3.383 377 H TYR 46 H TYR 46 -6.084 9.602 -1.843 378 HA TYR 46 HA TYR 46 -3.380 9.876 -2.243 379 HB2 TYR 46 2HB TYR 46 -3.802 9.762 -4.610 380 HB3 TYR 46 1HB TYR 46 -5.010 8.769 -3.804 381 HD1 TYR 46 HD2 TYR 46 -7.309 9.958 -3.317 382 HD2 TYR 46 HD1 TYR 46 -4.492 11.324 -6.205 383 HE1 TYR 46 HE2 TYR 46 -9.092 11.209 -4.457 384 HE2 TYR 46 HE1 TYR 46 -6.269 12.583 -7.348 385 HH TYR 46 HH TYR 46 -9.264 13.211 -5.958 386 H TYR 47 H TYR 47 -5.829 12.383 -2.570 387 HA TYR 47 HA TYR 47 -4.081 14.309 -3.783 388 HB2 TYR 47 2HB TYR 47 -6.487 14.355 -4.214 389 HB3 TYR 47 1HB TYR 47 -6.807 14.643 -2.508 390 HD1 TYR 47 HD1 TYR 47 -5.204 16.141 -5.517 391 HD2 TYR 47 HD2 TYR 47 -6.847 16.849 -1.654 392 HE1 TYR 47 HE1 TYR 47 -5.090 18.562 -5.919 393 HE2 TYR 47 HE2 TYR 47 -6.736 19.272 -2.050 394 HH TYR 47 HH TYR 47 -5.410 20.849 -3.486 395 H GLN 48 H GLN 48 -5.380 13.847 -0.495 396 HA GLN 48 HA GLN 48 -4.293 16.237 0.580 397 HB2 GLN 48 2HB GLN 48 -5.151 13.699 1.991 398 HB3 GLN 48 1HB GLN 48 -4.809 15.231 2.787 399 HG2 GLN 48 2HG GLN 48 -7.008 14.713 0.788 400 HG3 GLN 48 1HG GLN 48 -7.202 14.890 2.531 401 HE21 GLN 48 1HE2 GLN 48 -8.416 16.446 0.413 402 HE22 GLN 48 2HE2 GLN 48 -7.935 18.084 0.670 403 H GLY 49 H GLY 49 -3.077 12.908 0.464 404 HA2 GLY 49 2HA GLY 49 -0.613 12.826 0.078 405 HA3 GLY 49 1HA GLY 49 -0.466 13.938 1.429 406 H ILE 50 H ILE 50 0.784 11.369 1.090 407 HA ILE 50 HA ILE 50 -0.260 10.015 3.505 408 HB ILE 50 HB ILE 50 1.155 8.697 1.166 409 HG12 ILE 50 2HG1 ILE 50 -1.746 8.489 2.044 410 HG13 ILE 50 1HG1 ILE 50 -1.172 9.372 0.634 411 HG21 ILE 50 1HG2 ILE 50 -0.021 7.505 3.685 412 HG22 ILE 50 2HG2 ILE 50 1.691 7.610 3.276 413 HG23 ILE 50 3HG2 ILE 50 0.620 6.583 2.323 414 HD11 ILE 50 3HD1 ILE 50 -0.980 6.400 1.060 415 HD12 ILE 50 1HD1 ILE 50 -0.385 7.276 -0.351 416 HD13 ILE 50 2HD1 ILE 50 -2.112 7.237 0.001 417 H GLU 51 H GLU 51 1.213 9.598 5.109 418 HA GLU 51 HA GLU 51 3.888 10.761 4.807 419 HB2 GLU 51 2HB GLU 51 2.334 9.894 7.256 420 HB3 GLU 51 1HB GLU 51 3.957 10.566 7.308 421 HG2 GLU 51 2HG GLU 51 1.560 12.010 6.190 422 HG3 GLU 51 1HG GLU 51 2.144 12.180 7.843 423 H ILE 52 H ILE 52 5.469 9.402 4.220 424 HA ILE 52 HA ILE 52 5.283 6.548 4.840 425 HB ILE 52 HB ILE 52 7.314 8.014 3.138 426 HG12 ILE 52 2HG1 ILE 52 5.069 8.208 2.180 427 HG13 ILE 52 1HG1 ILE 52 6.052 7.119 1.208 428 HG21 ILE 52 1HG2 ILE 52 8.187 5.905 3.979 429 HG22 ILE 52 2HG2 ILE 52 7.859 5.781 2.250 430 HG23 ILE 52 3HG2 ILE 52 6.745 5.059 3.412 431 HD11 ILE 52 3HD1 ILE 52 3.952 6.304 3.207 432 HD12 ILE 52 1HD1 ILE 52 4.941 5.202 2.249 433 HD13 ILE 52 2HD1 ILE 52 3.796 6.279 1.451 434 H GLN 53 H GLN 53 5.890 6.277 6.975 435 HA GLN 53 HA GLN 53 8.420 7.395 7.900 436 HB2 GLN 53 2HB GLN 53 6.466 7.266 9.433 437 HB3 GLN 53 1HB GLN 53 6.527 5.512 9.331 438 HG2 GLN 53 2HG GLN 53 8.765 5.527 10.322 439 HG3 GLN 53 1HG GLN 53 8.710 7.285 10.418 440 HE21 GLN 53 1HE2 GLN 53 5.969 5.207 11.080 441 HE22 GLN 53 2HE2 GLN 53 5.893 5.537 12.772 442 H GLN 54 H GLN 54 10.042 6.425 6.791 443 HA GLN 54 HA GLN 54 10.186 3.697 6.086 444 HB2 GLN 54 2HB GLN 54 12.584 4.206 5.604 445 HB3 GLN 54 1HB GLN 54 11.455 5.328 4.862 446 HG2 GLN 54 2HG GLN 54 11.913 6.955 6.647 447 HG3 GLN 54 1HG GLN 54 13.067 5.830 7.362 448 HE21 GLN 54 1HE2 GLN 54 12.438 7.988 4.717 449 HE22 GLN 54 2HE2 GLN 54 14.057 8.056 4.127 450 H HIS 55 H HIS 55 11.043 1.908 7.099 451 HA HIS 55 HA HIS 55 12.069 2.338 9.840 452 HB2 HIS 55 2HB HIS 55 9.772 1.281 9.609 453 HB3 HIS 55 1HB HIS 55 10.581 -0.124 8.923 454 HD1 HIS 55 HD1 HIS 55 10.183 1.776 12.131 455 HD2 HIS 55 HD2 HIS 55 11.896 -1.757 10.776 456 HE1 HIS 55 HE1 HIS 55 10.822 0.508 14.194 457 HE2 HIS 55 HE2 HIS 55 12.042 -1.514 13.344 458 H LYS 56 H LYS 56 12.108 -0.340 7.414 459 HA LYS 56 HA LYS 56 14.671 -1.216 8.498 460 HB2 LYS 56 2HB LYS 56 14.399 -3.205 7.166 461 HB3 LYS 56 1HB LYS 56 12.882 -2.863 7.979 462 HG2 LYS 56 2HG LYS 56 11.873 -2.091 5.954 463 HG3 LYS 56 1HG LYS 56 13.426 -2.104 5.110 464 HD2 LYS 56 2HD LYS 56 13.517 -4.586 5.487 465 HD3 LYS 56 1HD LYS 56 11.872 -4.496 6.118 466 HE2 LYS 56 2HE LYS 56 11.076 -3.657 3.979 467 HE3 LYS 56 1HE LYS 56 12.718 -3.645 3.344 468 HZ1 LYS 56 3HZ LYS 56 11.255 -6.072 4.237 469 HZ2 LYS 56 1HZ LYS 56 12.799 -6.034 3.548 470 HZ3 LYS 56 2HZ LYS 56 11.451 -5.593 2.629 471 H TYR 57 H TYR 57 15.460 -2.414 5.864 472 HA TYR 57 HA TYR 57 17.308 -0.609 4.914 473 HB2 TYR 57 2HB TYR 57 15.936 -2.889 3.476 474 HB3 TYR 57 1HB TYR 57 17.283 -1.991 2.787 475 HD1 TYR 57 HD2 TYR 57 16.441 -3.824 5.959 476 HD2 TYR 57 HD1 TYR 57 19.405 -2.899 3.042 477 HE1 TYR 57 HE2 TYR 57 18.013 -5.341 7.079 478 HE2 TYR 57 HE1 TYR 57 20.981 -4.419 4.161 479 HH TYR 57 HH TYR 57 21.351 -5.438 6.317 480 H GLN 58 H GLN 58 16.353 1.459 4.698 481 HA GLN 58 HA GLN 58 14.720 1.821 2.255 482 HB2 GLN 58 2HB GLN 58 14.545 3.321 4.879 483 HB3 GLN 58 1HB GLN 58 13.684 3.781 3.415 484 HG2 GLN 58 2HG GLN 58 13.363 1.074 4.689 485 HG3 GLN 58 1HG GLN 58 12.380 2.464 5.143 486 HE21 GLN 58 1HE2 GLN 58 13.182 0.264 2.543 487 HE22 GLN 58 2HE2 GLN 58 11.772 0.573 1.599 488 H ASN 59 H ASN 59 17.723 2.095 2.987 489 HA ASN 59 HA ASN 59 18.219 4.914 2.444 490 HB2 ASN 59 2HB ASN 59 20.166 2.605 2.714 491 HB3 ASN 59 1HB ASN 59 20.613 4.302 2.574 492 HD21 ASN 59 1HD2 ASN 59 19.371 1.841 4.632 493 HD22 ASN 59 2HD2 ASN 59 19.410 2.758 6.093 494 H GLU 60 H GLU 60 18.633 1.810 0.822 495 HA GLU 60 HA GLU 60 19.854 2.978 -1.518 496 HB2 GLU 60 2HB GLU 60 20.480 0.759 -0.608 497 HB3 GLU 60 1HB GLU 60 18.880 0.159 -1.020 498 HG2 GLU 60 2HG GLU 60 19.342 0.573 -3.392 499 HG3 GLU 60 1HG GLU 60 20.954 1.156 -2.968 500 H LEU 61 H LEU 61 16.629 2.229 -0.530 501 HA LEU 61 HA LEU 61 15.663 2.852 -3.243 502 HB2 LEU 61 2HB LEU 61 13.787 1.279 -2.952 503 HB3 LEU 61 1HB LEU 61 15.343 0.478 -2.993 504 HG LEU 61 HG LEU 61 13.943 1.089 -0.388 505 HD11 LEU 61 1HD1 LEU 61 12.402 -0.226 -1.750 506 HD12 LEU 61 2HD1 LEU 61 13.052 -1.188 -0.424 507 HD13 LEU 61 3HD1 LEU 61 13.669 -1.413 -2.062 508 HD21 LEU 61 3HD2 LEU 61 16.311 0.519 -0.221 509 HD22 LEU 61 1HD2 LEU 61 16.041 -0.951 -1.158 510 HD23 LEU 61 2HD2 LEU 61 15.314 -0.775 0.439 511 H ASP 62 H ASP 62 14.300 4.521 -3.312 512 HA ASP 62 HA ASP 62 13.153 5.542 -0.811 513 HB2 ASP 62 2HB ASP 62 14.482 6.993 -2.456 514 HB3 ASP 62 1HB ASP 62 13.082 6.886 -3.518 515 H ILE 63 H ILE 63 11.058 5.184 -0.318 516 HA ILE 63 HA ILE 63 9.345 3.958 -2.368 517 HB ILE 63 HB ILE 63 9.127 3.946 0.647 518 HG12 ILE 63 2HG1 ILE 63 9.873 1.813 -1.375 519 HG13 ILE 63 1HG1 ILE 63 10.913 2.515 -0.140 520 HG21 ILE 63 1HG2 ILE 63 6.900 3.952 -0.326 521 HG22 ILE 63 2HG2 ILE 63 7.265 2.366 0.347 522 HG23 ILE 63 3HG2 ILE 63 7.337 2.620 -1.396 523 HD11 ILE 63 3HD1 ILE 63 10.214 0.303 0.505 524 HD12 ILE 63 1HD1 ILE 63 8.517 0.752 0.333 525 HD13 ILE 63 2HD1 ILE 63 9.503 1.496 1.593 526 H LYS 64 H LYS 64 7.872 5.198 -3.337 527 HA LYS 64 HA LYS 64 6.230 6.998 -1.663 528 HB2 LYS 64 2HB LYS 64 7.061 7.460 -4.543 529 HB3 LYS 64 1HB LYS 64 5.865 8.422 -3.687 530 HG2 LYS 64 2HG LYS 64 8.779 8.169 -2.941 531 HG3 LYS 64 1HG LYS 64 8.043 9.534 -3.780 532 HD2 LYS 64 2HD LYS 64 7.333 8.596 -0.992 533 HD3 LYS 64 1HD LYS 64 8.362 9.975 -1.373 534 HE2 LYS 64 2HE LYS 64 5.445 9.681 -2.102 535 HE3 LYS 64 1HE LYS 64 6.093 10.695 -0.816 536 HZ1 LYS 64 3HZ LYS 64 6.549 11.017 -3.733 537 HZ2 LYS 64 1HZ LYS 64 7.323 11.937 -2.543 538 HZ3 LYS 64 2HZ LYS 64 5.644 12.031 -2.734 539 H ILE 65 H ILE 65 4.017 6.798 -1.893 540 HA ILE 65 HA ILE 65 3.095 4.423 -3.295 541 HB ILE 65 HB ILE 65 1.586 6.310 -1.470 542 HG12 ILE 65 2HG1 ILE 65 2.780 3.561 -0.966 543 HG13 ILE 65 1HG1 ILE 65 3.387 5.082 -0.321 544 HG21 ILE 65 1HG2 ILE 65 0.073 5.178 -3.021 545 HG22 ILE 65 2HG2 ILE 65 -0.138 4.562 -1.382 546 HG23 ILE 65 3HG2 ILE 65 0.760 3.617 -2.571 547 HD11 ILE 65 3HD1 ILE 65 2.151 3.870 1.361 548 HD12 ILE 65 1HD1 ILE 65 0.731 3.815 0.317 549 HD13 ILE 65 2HD1 ILE 65 1.306 5.360 0.946 550 H ILE 66 H ILE 66 1.733 4.350 -5.017 551 HA ILE 66 HA ILE 66 1.286 6.849 -6.487 552 HB ILE 66 HB ILE 66 1.022 3.974 -7.399 553 HG12 ILE 66 2HG1 ILE 66 3.197 6.011 -7.965 554 HG13 ILE 66 1HG1 ILE 66 3.348 4.651 -6.856 555 HG21 ILE 66 1HG2 ILE 66 -0.436 5.449 -8.669 556 HG22 ILE 66 2HG2 ILE 66 0.910 4.908 -9.670 557 HG23 ILE 66 3HG2 ILE 66 0.913 6.536 -8.993 558 HD11 ILE 66 3HD1 ILE 66 4.427 4.157 -8.953 559 HD12 ILE 66 1HD1 ILE 66 2.933 4.489 -9.833 560 HD13 ILE 66 2HD1 ILE 66 3.025 3.109 -8.736 561 H ASN 67 H ASN 67 -0.602 3.810 -6.147 562 HA ASN 67 HA ASN 67 -2.923 5.205 -5.167 563 HB2 ASN 67 2HB ASN 67 -4.418 4.665 -7.042 564 HB3 ASN 67 1HB ASN 67 -3.123 5.739 -7.550 565 HD21 ASN 67 1HD2 ASN 67 -3.227 5.178 -9.705 566 HD22 ASN 67 2HD2 ASN 67 -2.763 3.621 -10.295 567 H PHE 68 H PHE 68 -4.920 3.459 -5.529 568 HA PHE 68 HA PHE 68 -3.940 0.814 -4.669 569 HB2 PHE 68 2HB PHE 68 -6.241 2.294 -3.356 570 HB3 PHE 68 1HB PHE 68 -5.586 0.731 -2.881 571 HD1 PHE 68 HD2 PHE 68 -3.320 0.609 -1.842 572 HD2 PHE 68 HD1 PHE 68 -5.262 4.325 -2.611 573 HE1 PHE 68 HE2 PHE 68 -1.786 1.736 -0.281 574 HE2 PHE 68 HE1 PHE 68 -3.727 5.454 -1.058 575 HZ PHE 68 HZ PHE 68 -1.988 4.158 0.113 576 H LEU 69 H LEU 69 -5.119 -0.914 -5.465 577 HA LEU 69 HA LEU 69 -7.769 -0.407 -6.607 578 HB2 LEU 69 2HB LEU 69 -7.255 -1.644 -8.670 579 HB3 LEU 69 1HB LEU 69 -6.347 -0.154 -8.527 580 HG LEU 69 HG LEU 69 -5.154 -2.846 -7.842 581 HD11 LEU 69 1HD1 LEU 69 -5.049 -1.389 -10.486 582 HD12 LEU 69 2HD1 LEU 69 -5.884 -2.910 -10.165 583 HD13 LEU 69 3HD1 LEU 69 -4.126 -2.832 -10.062 584 HD21 LEU 69 3HD2 LEU 69 -3.026 -1.674 -8.198 585 HD22 LEU 69 1HD2 LEU 69 -3.973 -0.918 -6.919 586 HD23 LEU 69 2HD2 LEU 69 -3.901 -0.176 -8.519 587 H TYR 70 H TYR 70 -9.055 -2.322 -6.974 588 HA TYR 70 HA TYR 70 -8.737 -4.184 -4.801 589 HB2 TYR 70 2HB TYR 70 -10.863 -4.043 -6.958 590 HB3 TYR 70 1HB TYR 70 -10.951 -5.017 -5.496 591 HD1 TYR 70 HD1 TYR 70 -10.146 -3.244 -3.364 592 HD2 TYR 70 HD2 TYR 70 -12.452 -2.368 -6.835 593 HE1 TYR 70 HE1 TYR 70 -11.245 -1.402 -2.164 594 HE2 TYR 70 HE2 TYR 70 -13.550 -0.520 -5.645 595 HH TYR 70 HH TYR 70 -12.426 0.734 -2.748 596 HA PRO 71 HA PRO 71 -6.962 -7.873 -6.527 597 HB2 PRO 71 2HB PRO 71 -9.608 -9.166 -5.962 598 HB3 PRO 71 1HB PRO 71 -7.976 -9.738 -5.597 599 HG2 PRO 71 2HG PRO 71 -9.466 -8.650 -3.687 600 HG3 PRO 71 1HG PRO 71 -7.730 -8.299 -3.786 601 HD2 PRO 71 2HD PRO 71 -10.054 -6.572 -4.490 602 HD3 PRO 71 1HD PRO 71 -8.452 -6.118 -3.870 603 H ASP 72 H ASP 72 -10.408 -8.363 -7.410 604 HA ASP 72 HA ASP 72 -9.594 -8.737 -10.200 605 HB2 ASP 72 2HB ASP 72 -12.210 -9.239 -8.761 606 HB3 ASP 72 1HB ASP 72 -11.996 -9.471 -10.494 607 H GLY 73 H GLY 73 -9.870 -6.053 -8.716 608 HA2 GLY 73 2HA GLY 73 -10.342 -3.907 -9.492 609 HA3 GLY 73 1HA GLY 73 -11.193 -4.610 -10.857 610 H ASP 74 H ASP 74 -12.900 -6.266 -9.096 611 HA ASP 74 HA ASP 74 -14.955 -4.296 -8.587 612 HB2 ASP 74 2HB ASP 74 -15.065 -7.272 -8.051 613 HB3 ASP 74 1HB ASP 74 -16.419 -6.173 -8.304 614 H PHE 75 H PHE 75 -15.879 -3.776 -6.587 615 HA PHE 75 HA PHE 75 -14.151 -3.919 -4.331 616 HB2 PHE 75 2HB PHE 75 -16.047 -2.840 -3.085 617 HB3 PHE 75 1HB PHE 75 -15.516 -1.978 -4.521 618 HD1 PHE 75 HD2 PHE 75 -18.217 -4.036 -3.070 619 HD2 PHE 75 HD1 PHE 75 -16.982 -1.649 -6.381 620 HE1 PHE 75 HE2 PHE 75 -20.537 -3.970 -3.885 621 HE2 PHE 75 HE1 PHE 75 -19.303 -1.578 -7.193 622 HZ PHE 75 HZ PHE 75 -21.081 -2.737 -5.946 623 H GLY 76 H GLY 76 -17.009 -5.777 -5.272 624 HA2 GLY 76 2HA GLY 76 -17.451 -7.213 -2.913 625 HA3 GLY 76 1HA GLY 76 -17.735 -7.836 -4.532 626 H SER 77 H SER 77 -15.214 -7.948 -5.577 627 HA SER 77 HA SER 77 -14.055 -10.273 -4.556 628 HB2 SER 77 2HB SER 77 -13.597 -9.581 -6.826 629 HB3 SER 77 1HB SER 77 -12.828 -8.096 -6.269 630 HG SER 77 HG SER 77 -11.739 -10.505 -6.642 631 H ALA 78 H ALA 78 -13.236 -6.884 -3.934 632 HA ALA 78 HA ALA 78 -10.926 -7.318 -2.377 633 HB1 ALA 78 3HB ALA 78 -12.898 -5.039 -2.189 634 HB2 ALA 78 1HB ALA 78 -11.540 -5.132 -3.311 635 HB3 ALA 78 2HB ALA 78 -11.244 -5.043 -1.573 636 H ASN 79 H ASN 79 -14.355 -7.253 -1.518 637 HA ASN 79 HA ASN 79 -13.946 -7.274 1.310 638 HB2 ASN 79 2HB ASN 79 -16.349 -7.930 -0.402 639 HB3 ASN 79 1HB ASN 79 -16.388 -7.992 1.357 640 HD21 ASN 79 1HD2 ASN 79 -14.604 -5.617 -0.528 641 HD22 ASN 79 2HD2 ASN 79 -15.565 -4.268 -0.056 642 H LYS 80 H LYS 80 -14.913 -9.848 -0.984 643 HA LYS 80 HA LYS 80 -15.160 -11.904 0.880 644 HB2 LYS 80 2HB LYS 80 -14.995 -13.446 -1.008 645 HB3 LYS 80 1HB LYS 80 -16.014 -12.068 -1.399 646 HG2 LYS 80 2HG LYS 80 -14.072 -11.045 -2.581 647 HG3 LYS 80 1HG LYS 80 -13.174 -12.535 -2.294 648 HD2 LYS 80 2HD LYS 80 -15.768 -12.310 -3.833 649 HD3 LYS 80 1HD LYS 80 -14.165 -12.461 -4.551 650 HE2 LYS 80 2HE LYS 80 -13.892 -14.655 -3.513 651 HE3 LYS 80 1HE LYS 80 -15.474 -14.501 -2.746 652 HZ1 LYS 80 3HZ LYS 80 -16.492 -14.451 -4.926 653 HZ2 LYS 80 1HZ LYS 80 -15.563 -15.849 -4.753 654 HZ3 LYS 80 2HZ LYS 80 -14.981 -14.561 -5.673 655 H ASN 81 H ASN 81 -12.251 -10.701 -0.712 656 HA ASN 81 HA ASN 81 -10.652 -12.886 0.409 657 HB2 ASN 81 2HB ASN 81 -10.349 -11.992 -1.964 658 HB3 ASN 81 1HB ASN 81 -9.635 -10.559 -1.234 659 HD21 ASN 81 1HD2 ASN 81 -8.397 -12.449 -3.012 660 HD22 ASN 81 2HD2 ASN 81 -7.050 -13.125 -2.165 661 H GLY 82 H GLY 82 -10.991 -9.355 0.709 662 HA2 GLY 82 2HA GLY 82 -10.431 -7.995 2.515 663 HA3 GLY 82 1HA GLY 82 -9.762 -9.398 3.333 664 H THR 83 H THR 83 -8.880 -8.300 0.105 665 HA THR 83 HA THR 83 -6.179 -7.580 1.076 666 HB THR 83 HB THR 83 -5.267 -8.492 -1.069 667 HG1 THR 83 HG1 THR 83 -6.790 -10.097 -2.071 668 HG21 THR 83 3HG2 THR 83 -6.747 -10.508 0.633 669 HG22 THR 83 1HG2 THR 83 -5.156 -9.828 0.985 670 HG23 THR 83 2HG2 THR 83 -5.384 -10.854 -0.431 671 H LEU 84 H LEU 84 -4.929 -6.267 -0.530 672 HA LEU 84 HA LEU 84 -6.496 -4.695 -2.422 673 HB2 LEU 84 2HB LEU 84 -6.742 -3.538 -0.235 674 HB3 LEU 84 1HB LEU 84 -4.997 -3.409 -0.129 675 HG LEU 84 HG LEU 84 -5.019 -1.987 -2.182 676 HD11 LEU 84 1HD1 LEU 84 -8.015 -2.123 -1.830 677 HD12 LEU 84 2HD1 LEU 84 -7.086 -2.767 -3.186 678 HD13 LEU 84 3HD1 LEU 84 -7.161 -1.025 -2.916 679 HD21 LEU 84 3HD2 LEU 84 -4.941 -0.970 0.036 680 HD22 LEU 84 1HD2 LEU 84 -6.703 -0.998 0.126 681 HD23 LEU 84 2HD2 LEU 84 -5.897 0.017 -1.069 682 H LYS 85 H LYS 85 -5.252 -3.893 -4.117 683 HA LYS 85 HA LYS 85 -2.443 -4.699 -4.193 684 HB2 LYS 85 2HB LYS 85 -4.154 -3.415 -6.338 685 HB3 LYS 85 1HB LYS 85 -2.529 -4.041 -6.564 686 HG2 LYS 85 2HG LYS 85 -3.323 -6.306 -6.114 687 HG3 LYS 85 1HG LYS 85 -4.955 -5.686 -5.839 688 HD2 LYS 85 2HD LYS 85 -4.966 -4.806 -8.163 689 HD3 LYS 85 1HD LYS 85 -3.385 -5.543 -8.423 690 HE2 LYS 85 2HE LYS 85 -5.854 -7.085 -7.630 691 HE3 LYS 85 1HE LYS 85 -5.334 -6.859 -9.298 692 HZ1 LYS 85 3HZ LYS 85 -3.341 -8.060 -8.862 693 HZ2 LYS 85 1HZ LYS 85 -4.633 -8.987 -8.285 694 HZ3 LYS 85 2HZ LYS 85 -3.664 -8.129 -7.202 695 H LEU 86 H LEU 86 -1.057 -3.290 -3.250 696 HA LEU 86 HA LEU 86 -1.462 -0.405 -3.515 697 HB2 LEU 86 2HB LEU 86 0.560 -2.026 -1.956 698 HB3 LEU 86 1HB LEU 86 0.588 -0.276 -2.044 699 HG LEU 86 HG LEU 86 -1.713 -0.269 -1.009 700 HD11 LEU 86 1HD1 LEU 86 -2.426 -2.268 0.210 701 HD12 LEU 86 2HD1 LEU 86 -1.120 -3.186 -0.542 702 HD13 LEU 86 3HD1 LEU 86 -2.417 -2.519 -1.534 703 HD21 LEU 86 3HD2 LEU 86 0.471 -1.525 0.650 704 HD22 LEU 86 1HD2 LEU 86 -0.904 -0.591 1.241 705 HD23 LEU 86 2HD2 LEU 86 0.337 0.191 0.264 706 H SER 87 H SER 87 -0.486 0.752 -5.083 707 HA SER 87 HA SER 87 1.738 -0.464 -6.573 708 HB2 SER 87 2HB SER 87 1.338 1.364 -8.219 709 HB3 SER 87 1HB SER 87 -0.086 0.360 -7.949 710 HG SER 87 HG SER 87 -1.073 2.132 -7.458 711 H LEU 88 H LEU 88 3.717 -0.017 -5.826 712 HA LEU 88 HA LEU 88 4.253 2.674 -4.722 713 HB2 LEU 88 2HB LEU 88 5.510 -0.000 -4.102 714 HB3 LEU 88 1HB LEU 88 6.254 1.514 -3.633 715 HG LEU 88 HG LEU 88 4.217 2.042 -2.274 716 HD11 LEU 88 1HD1 LEU 88 3.439 -0.795 -2.940 717 HD12 LEU 88 2HD1 LEU 88 2.583 0.669 -3.425 718 HD13 LEU 88 3HD1 LEU 88 2.670 0.224 -1.721 719 HD21 LEU 88 3HD2 LEU 88 4.756 0.522 -0.453 720 HD22 LEU 88 1HD2 LEU 88 6.224 1.064 -1.263 721 HD23 LEU 88 2HD2 LEU 88 5.593 -0.552 -1.574 722 H MET 89 H MET 89 5.833 3.915 -5.603 723 HA MET 89 HA MET 89 7.388 2.793 -7.829 724 HB2 MET 89 2HB MET 89 7.997 5.189 -8.297 725 HB3 MET 89 1HB MET 89 6.288 4.814 -8.453 726 HG2 MET 89 2HG MET 89 5.831 5.839 -6.309 727 HG3 MET 89 1HG MET 89 7.549 6.140 -6.060 728 HE1 MET 89 3HE MET 89 8.623 7.146 -8.810 729 HE2 MET 89 1HE MET 89 8.946 7.982 -7.294 730 HE3 MET 89 2HE MET 89 8.359 8.884 -8.689 731 H LEU 90 H LEU 90 9.192 1.843 -7.175 732 HA LEU 90 HA LEU 90 10.688 2.786 -4.870 733 HB2 LEU 90 2HB LEU 90 11.223 0.474 -6.749 734 HB3 LEU 90 1HB LEU 90 12.128 0.815 -5.291 735 HG LEU 90 HG LEU 90 10.662 -0.967 -4.763 736 HD11 LEU 90 1HD1 LEU 90 9.255 -0.043 -3.008 737 HD12 LEU 90 2HD1 LEU 90 9.410 1.566 -3.712 738 HD13 LEU 90 3HD1 LEU 90 10.826 0.756 -3.044 739 HD21 LEU 90 3HD2 LEU 90 8.247 -0.908 -5.121 740 HD22 LEU 90 1HD2 LEU 90 9.120 -0.748 -6.646 741 HD23 LEU 90 2HD2 LEU 90 8.390 0.671 -5.894 742 H THR 91 H THR 91 11.957 4.531 -5.213 743 HA THR 91 HA THR 91 13.319 4.909 -7.750 744 HB THR 91 HB THR 91 13.463 6.576 -5.224 745 HG1 THR 91 HG1 THR 91 12.175 7.506 -7.518 746 HG21 THR 91 3HG2 THR 91 14.373 8.330 -6.699 747 HG22 THR 91 1HG2 THR 91 14.400 7.179 -8.036 748 HG23 THR 91 2HG2 THR 91 15.431 6.921 -6.628 749 H ASP 92 H ASP 92 15.050 3.676 -8.120 750 HA ASP 92 HA ASP 92 16.794 2.589 -6.194 751 HB2 ASP 92 2HB ASP 92 16.613 1.636 -8.431 752 HB3 ASP 92 1HB ASP 92 17.230 3.125 -9.147 753 H LYS 93 H LYS 93 17.982 3.803 -4.837 754 HA LYS 93 HA LYS 93 18.786 6.474 -5.512 755 HB2 LYS 93 2HB LYS 93 19.489 4.820 -3.074 756 HB3 LYS 93 1HB LYS 93 19.704 6.558 -3.243 757 HG2 LYS 93 2HG LYS 93 17.044 5.123 -3.315 758 HG3 LYS 93 1HG LYS 93 17.710 5.960 -1.913 759 HD2 LYS 93 2HD LYS 93 17.265 7.352 -4.552 760 HD3 LYS 93 1HD LYS 93 15.998 7.232 -3.331 761 HE2 LYS 93 2HE LYS 93 18.729 8.403 -2.791 762 HE3 LYS 93 1HE LYS 93 17.336 9.364 -3.290 763 HZ1 LYS 93 3HZ LYS 93 17.694 9.317 -0.863 764 HZ2 LYS 93 1HZ LYS 93 17.392 7.654 -0.860 765 HZ3 LYS 93 2HZ LYS 93 16.175 8.738 -1.314 766 H LYS 94 H LYS 94 20.124 3.692 -6.558 767 HA LYS 94 HA LYS 94 22.922 4.473 -6.319 768 HB2 LYS 94 2HB LYS 94 21.813 2.419 -8.243 769 HB3 LYS 94 1HB LYS 94 23.450 2.547 -7.623 770 HG2 LYS 94 2HG LYS 94 22.654 1.872 -5.404 771 HG3 LYS 94 1HG LYS 94 21.015 1.729 -6.051 772 HD2 LYS 94 2HD LYS 94 21.959 0.087 -7.742 773 HD3 LYS 94 1HD LYS 94 23.449 0.101 -6.798 774 HE2 LYS 94 2HE LYS 94 22.174 -1.791 -6.108 775 HE3 LYS 94 1HE LYS 94 22.097 -0.601 -4.810 776 HZ1 LYS 94 3HZ LYS 94 19.918 0.109 -5.971 777 HZ2 LYS 94 1HZ LYS 94 19.918 -1.299 -5.024 778 HZ3 LYS 94 2HZ LYS 94 19.994 -1.407 -6.705 779 H ASN 95 H ASN 95 20.658 3.983 -9.019 780 HA ASN 95 HA ASN 95 22.278 5.758 -10.712 781 HB2 ASN 95 2HB ASN 95 20.113 3.825 -11.566 782 HB3 ASN 95 1HB ASN 95 21.268 4.652 -12.607 783 HD21 ASN 95 1HD2 ASN 95 20.805 2.075 -10.322 784 HD22 ASN 95 2HD2 ASN 95 22.294 1.263 -10.652 785 H ASN 96 H ASN 96 19.675 6.045 -8.769 786 HA ASN 96 HA ASN 96 17.936 7.495 -8.556 787 HB2 ASN 96 2HB ASN 96 19.313 8.884 -10.867 788 HB3 ASN 96 1HB ASN 96 17.902 9.541 -10.049 789 HD21 ASN 96 1HD2 ASN 96 20.544 7.828 -8.471 790 HD22 ASN 96 2HD2 ASN 96 21.132 9.189 -7.590 791 H GLN 97 H GLN 97 17.689 5.113 -10.159 792 HA GLN 97 HA GLN 97 15.869 5.760 -12.343 793 HB2 GLN 97 2HB GLN 97 16.827 3.113 -11.221 794 HB3 GLN 97 1HB GLN 97 15.745 3.263 -12.599 795 HG2 GLN 97 2HG GLN 97 18.538 4.392 -12.472 796 HG3 GLN 97 1HG GLN 97 18.100 2.861 -13.230 797 HE21 GLN 97 1HE2 GLN 97 16.950 2.885 -15.156 798 HE22 GLN 97 2HE2 GLN 97 16.796 4.307 -16.124 799 H VAL 98 H VAL 98 13.723 4.612 -12.453 800 HA VAL 98 HA VAL 98 12.487 4.357 -9.779 801 HB VAL 98 HB VAL 98 11.690 6.392 -10.906 802 HG11 VAL 98 1HG1 VAL 98 10.707 4.530 -13.073 803 HG12 VAL 98 2HG1 VAL 98 11.981 5.740 -13.231 804 HG13 VAL 98 3HG1 VAL 98 10.315 6.245 -12.944 805 HG21 VAL 98 3HG2 VAL 98 9.276 5.967 -10.721 806 HG22 VAL 98 1HG2 VAL 98 10.168 5.217 -9.397 807 HG23 VAL 98 2HG2 VAL 98 9.580 4.230 -10.735 808 H TYR 99 H TYR 99 11.351 2.548 -9.367 809 HA TYR 99 HA TYR 99 10.741 0.713 -11.605 810 HB2 TYR 99 2HB TYR 99 12.644 -0.095 -10.227 811 HB3 TYR 99 1HB TYR 99 11.613 -0.064 -8.802 812 HD1 TYR 99 HD2 TYR 99 12.140 -1.710 -12.079 813 HD2 TYR 99 HD1 TYR 99 10.122 -1.874 -8.331 814 HE1 TYR 99 HE2 TYR 99 11.421 -4.006 -12.574 815 HE2 TYR 99 HE1 TYR 99 9.401 -4.174 -8.819 816 HH TYR 99 HH TYR 99 9.026 -5.610 -10.835 817 H TYR 100 H TYR 100 8.716 -0.204 -11.630 818 HA TYR 100 HA TYR 100 6.839 0.741 -9.572 819 HB2 TYR 100 2HB TYR 100 6.354 -0.234 -12.396 820 HB3 TYR 100 1HB TYR 100 5.080 0.234 -11.272 821 HD1 TYR 100 HD2 TYR 100 4.961 2.594 -10.470 822 HD2 TYR 100 HD1 TYR 100 7.591 1.430 -13.608 823 HE1 TYR 100 HE2 TYR 100 5.205 4.946 -11.131 824 HE2 TYR 100 HE1 TYR 100 7.847 3.785 -14.274 825 HH TYR 100 HH TYR 100 6.793 6.370 -12.309 826 H LYS 101 H LYS 101 6.176 -0.635 -8.079 827 HA LYS 101 HA LYS 101 6.097 -3.531 -8.695 828 HB2 LYS 101 2HB LYS 101 8.065 -3.003 -7.330 829 HB3 LYS 101 1HB LYS 101 7.050 -2.190 -6.152 830 HG2 LYS 101 2HG LYS 101 7.443 -4.215 -5.131 831 HG3 LYS 101 1HG LYS 101 5.892 -4.511 -5.909 832 HD2 LYS 101 2HD LYS 101 8.504 -5.240 -7.226 833 HD3 LYS 101 1HD LYS 101 7.696 -6.325 -6.098 834 HE2 LYS 101 2HE LYS 101 6.451 -5.229 -8.625 835 HE3 LYS 101 1HE LYS 101 7.192 -6.819 -8.475 836 HZ1 LYS 101 3HZ LYS 101 4.893 -5.906 -6.837 837 HZ2 LYS 101 1HZ LYS 101 5.549 -7.460 -6.891 838 HZ3 LYS 101 2HZ LYS 101 4.749 -6.836 -8.239 839 H LEU 102 H LEU 102 4.066 -4.260 -8.543 840 HA LEU 102 HA LEU 102 2.099 -3.023 -6.818 841 HB2 LEU 102 2HB LEU 102 2.031 -5.416 -8.654 842 HB3 LEU 102 1HB LEU 102 0.692 -5.036 -7.592 843 HG LEU 102 HG LEU 102 0.239 -4.223 -9.831 844 HD11 LEU 102 1HD1 LEU 102 -0.250 -1.880 -9.333 845 HD12 LEU 102 2HD1 LEU 102 0.814 -1.955 -7.929 846 HD13 LEU 102 3HD1 LEU 102 -0.654 -2.932 -7.976 847 HD21 LEU 102 3HD2 LEU 102 1.588 -2.483 -10.886 848 HD22 LEU 102 1HD2 LEU 102 2.536 -3.944 -10.621 849 HD23 LEU 102 2HD2 LEU 102 2.742 -2.554 -9.554 850 H LEU 103 H LEU 103 1.659 -3.588 -4.784 851 HA LEU 103 HA LEU 103 2.717 -6.139 -3.740 852 HB2 LEU 103 2HB LEU 103 2.510 -3.479 -2.316 853 HB3 LEU 103 1HB LEU 103 3.039 -4.981 -1.578 854 HG LEU 103 HG LEU 103 4.475 -3.596 -3.855 855 HD11 LEU 103 1HD1 LEU 103 4.572 -2.245 -1.837 856 HD12 LEU 103 2HD1 LEU 103 6.141 -2.974 -2.174 857 HD13 LEU 103 3HD1 LEU 103 5.113 -3.643 -0.907 858 HD21 LEU 103 3HD2 LEU 103 6.303 -5.149 -3.313 859 HD22 LEU 103 1HD2 LEU 103 4.845 -6.007 -3.817 860 HD23 LEU 103 2HD2 LEU 103 5.277 -5.930 -2.108 861 H GLU 104 H GLU 104 1.080 -7.467 -3.278 862 HA GLU 104 HA GLU 104 -1.527 -6.358 -2.528 863 HB2 GLU 104 2HB GLU 104 -0.748 -9.197 -3.225 864 HB3 GLU 104 1HB GLU 104 -2.386 -8.625 -2.927 865 HG2 GLU 104 2HG GLU 104 -2.170 -7.104 -4.866 866 HG3 GLU 104 1HG GLU 104 -0.576 -7.785 -5.188 867 H VAL 105 H VAL 105 -1.825 -6.031 -0.432 868 HA VAL 105 HA VAL 105 -0.634 -7.901 1.517 869 HB VAL 105 HB VAL 105 -0.957 -6.161 3.204 870 HG11 VAL 105 1HG1 VAL 105 0.436 -5.127 0.723 871 HG12 VAL 105 2HG1 VAL 105 1.140 -6.182 1.947 872 HG13 VAL 105 3HG1 VAL 105 0.684 -4.531 2.366 873 HG21 VAL 105 3HG2 VAL 105 -1.693 -3.895 2.539 874 HG22 VAL 105 1HG2 VAL 105 -2.966 -5.100 2.350 875 HG23 VAL 105 2HG2 VAL 105 -2.091 -4.514 0.936 876 H SER 106 H SER 106 -1.891 -8.688 3.267 877 HA SER 106 HA SER 106 -4.811 -8.665 2.795 878 HB2 SER 106 2HB SER 106 -4.866 -11.009 3.578 879 HB3 SER 106 1HB SER 106 -3.842 -10.831 2.154 880 HG SER 106 HG SER 106 -2.842 -12.117 3.757 881 H GLY 107 H GLY 107 -6.166 -8.953 4.659 882 HA2 GLY 107 2HA GLY 107 -6.166 -9.435 7.104 883 HA3 GLY 107 1HA GLY 107 -4.817 -8.321 7.224 884 H PHE 108 H PHE 108 -6.959 -7.051 4.991 885 HA PHE 108 HA PHE 108 -7.735 -4.909 6.660 886 HB2 PHE 108 2HB PHE 108 -8.801 -5.798 3.971 887 HB3 PHE 108 1HB PHE 108 -9.298 -4.309 4.766 888 HD1 PHE 108 HD2 PHE 108 -7.726 -2.448 5.032 889 HD2 PHE 108 HD1 PHE 108 -6.643 -5.993 2.924 890 HE1 PHE 108 HE2 PHE 108 -5.809 -1.269 4.036 891 HE2 PHE 108 HE1 PHE 108 -4.730 -4.815 1.928 892 HZ PHE 108 HZ PHE 108 -4.310 -2.453 2.480 893 H LYS 109 H LYS 109 -10.166 -6.908 4.972 894 HA LYS 109 HA LYS 109 -11.466 -7.654 7.436 895 HB2 LYS 109 2HB LYS 109 -12.103 -5.149 6.677 896 HB3 LYS 109 1HB LYS 109 -13.261 -6.025 5.688 897 HG2 LYS 109 2HG LYS 109 -14.306 -5.389 7.760 898 HG3 LYS 109 1HG LYS 109 -14.115 -7.145 7.728 899 HD2 LYS 109 2HD LYS 109 -13.497 -6.299 9.919 900 HD3 LYS 109 1HD LYS 109 -12.065 -6.922 9.098 901 HE2 LYS 109 2HE LYS 109 -11.685 -4.484 8.352 902 HE3 LYS 109 1HE LYS 109 -12.857 -4.065 9.599 903 HZ1 LYS 109 3HZ LYS 109 -11.403 -5.322 11.179 904 HZ2 LYS 109 1HZ LYS 109 -10.724 -3.904 10.557 905 HZ3 LYS 109 2HZ LYS 109 -10.235 -5.402 9.956 906 H SER 110 H SER 110 -11.720 -9.750 6.897 907 HA SER 110 HA SER 110 -12.379 -10.588 4.221 908 HB2 SER 110 2HB SER 110 -12.416 -12.886 5.243 909 HB3 SER 110 1HB SER 110 -10.914 -12.002 5.502 910 HG SER 110 HG SER 110 -12.985 -12.568 7.344 911 H ASN 111 H ASN 111 -14.367 -10.399 3.443 912 HA ASN 111 HA ASN 111 -16.659 -11.254 5.106 913 HB2 ASN 111 2HB ASN 111 -16.574 -9.062 3.013 914 HB3 ASN 111 1HB ASN 111 -18.046 -9.648 3.770 915 HD21 ASN 111 1HD2 ASN 111 -16.789 -9.950 6.395 916 HD22 ASN 111 2HD2 ASN 111 -16.617 -8.347 7.009 917 HA PRO 112 HA PRO 112 -16.150 -13.972 1.312 918 HB2 PRO 112 2HB PRO 112 -17.016 -16.092 3.194 919 HB3 PRO 112 1HB PRO 112 -15.613 -16.040 2.121 920 HG2 PRO 112 2HG PRO 112 -15.328 -15.784 4.769 921 HG3 PRO 112 1HG PRO 112 -14.324 -14.852 3.642 922 HD2 PRO 112 2HD PRO 112 -16.748 -13.968 5.187 923 HD3 PRO 112 1HD PRO 112 -15.203 -13.125 4.937 924 H TYR 113 H TYR 113 -18.688 -14.709 3.728 925 HA TYR 113 HA TYR 113 -20.612 -15.164 1.591 926 HB2 TYR 113 2HB TYR 113 -22.129 -15.733 3.614 927 HB3 TYR 113 1HB TYR 113 -20.799 -16.817 3.230 928 HD1 TYR 113 HD1 TYR 113 -18.786 -16.877 4.652 929 HD2 TYR 113 HD2 TYR 113 -22.145 -14.467 5.693 930 HE1 TYR 113 HE1 TYR 113 -17.915 -16.661 6.937 931 HE2 TYR 113 HE2 TYR 113 -21.277 -14.247 7.986 932 HH TYR 113 HH TYR 113 -19.736 -15.594 9.508 933 H LEU 114 H LEU 114 -19.752 -12.651 3.764 934 HA LEU 114 HA LEU 114 -22.295 -11.345 3.894 935 HB2 LEU 114 2HB LEU 114 -19.516 -10.327 4.493 936 HB3 LEU 114 1HB LEU 114 -20.992 -9.451 4.851 937 HG LEU 114 HG LEU 114 -20.197 -12.115 6.050 938 HD11 LEU 114 1HD1 LEU 114 -18.797 -10.287 6.858 939 HD12 LEU 114 2HD1 LEU 114 -19.882 -10.863 8.122 940 HD13 LEU 114 3HD1 LEU 114 -20.236 -9.356 7.278 941 HD21 LEU 114 3HD2 LEU 114 -22.559 -10.319 6.629 942 HD22 LEU 114 1HD2 LEU 114 -22.118 -11.761 7.545 943 HD23 LEU 114 2HD2 LEU 114 -22.614 -11.906 5.860 944 H GLU 115 H GLU 115 -19.883 -11.475 1.450 945 HA GLU 115 HA GLU 115 -20.325 -8.945 0.227 946 HB2 GLU 115 2HB GLU 115 -19.290 -9.882 -1.759 947 HB3 GLU 115 1HB GLU 115 -18.398 -10.414 -0.340 948 HG2 GLU 115 2HG GLU 115 -19.175 -12.601 -0.508 949 HG3 GLU 115 1HG GLU 115 -20.550 -12.141 -1.507 950 H HIS 116 H HIS 116 -21.971 -12.043 0.026 951 HA HIS 116 HA HIS 116 -23.706 -11.202 -2.143 952 HB2 HIS 116 2HB HIS 116 -23.788 -13.711 -0.446 953 HB3 HIS 116 1HB HIS 116 -24.739 -13.420 -1.901 954 HD1 HIS 116 HD1 HIS 116 -21.955 -15.282 -0.968 955 HD2 HIS 116 HD2 HIS 116 -22.663 -12.670 -4.122 956 HE1 HIS 116 HE1 HIS 116 -20.249 -15.857 -2.712 957 HE2 HIS 116 HE2 HIS 116 -20.737 -14.315 -4.637 958 H HIS 117 H HIS 117 -24.326 -12.332 1.210 959 HA HIS 117 HA HIS 117 -26.800 -10.843 1.356 960 HB2 HIS 117 2HB HIS 117 -25.178 -12.144 3.571 961 HB3 HIS 117 1HB HIS 117 -26.816 -11.515 3.735 962 HD1 HIS 117 HD1 HIS 117 -25.397 -14.610 3.738 963 HD2 HIS 117 HD2 HIS 117 -28.342 -12.951 1.315 964 HE1 HIS 117 HE1 HIS 117 -26.666 -16.555 2.791 965 HE2 HIS 117 HE2 HIS 117 -28.339 -15.536 1.216 966 H HIS 118 H HIS 118 -26.357 -8.674 1.009 967 HA HIS 118 HA HIS 118 -23.960 -7.423 1.891 968 HB2 HIS 118 2HB HIS 118 -26.503 -6.091 0.929 969 HB3 HIS 118 1HB HIS 118 -24.902 -5.364 0.992 970 HD1 HIS 118 HD1 HIS 118 -23.206 -6.084 -0.849 971 HD2 HIS 118 HD2 HIS 118 -26.987 -7.747 -1.264 972 HE1 HIS 118 HE1 HIS 118 -23.271 -7.025 -3.171 973 HE2 HIS 118 HE2 HIS 118 -25.637 -7.814 -3.468 974 H HIS 119 H HIS 119 -24.137 -8.010 4.204 975 HA HIS 119 HA HIS 119 -24.589 -7.616 6.399 976 HB2 HIS 119 2HB HIS 119 -23.497 -5.463 5.689 977 HB3 HIS 119 1HB HIS 119 -25.100 -4.778 5.467 978 HD1 HIS 119 HD1 HIS 119 -24.927 -3.032 7.278 979 HD2 HIS 119 HD2 HIS 119 -24.139 -6.870 8.669 980 HE1 HIS 119 HE1 HIS 119 -24.825 -2.832 9.775 981 HE2 HIS 119 HE2 HIS 119 -24.174 -5.123 10.576 982 H HIS 120 H HIS 120 -26.538 -8.964 5.889 983 HA HIS 120 HA HIS 120 -28.681 -9.520 6.407 984 HB2 HIS 120 2HB HIS 120 -28.646 -7.869 8.226 985 HB3 HIS 120 1HB HIS 120 -29.099 -6.601 7.095 986 HD1 HIS 120 HD1 HIS 120 -30.496 -9.616 8.852 987 HD2 HIS 120 HD2 HIS 120 -31.818 -6.458 6.499 988 HE1 HIS 120 HE1 HIS 120 -32.998 -9.679 8.995 989 HE2 HIS 120 HE2 HIS 120 -33.780 -7.857 7.445 990 H HIS 121 H HIS 121 -28.177 -6.695 4.361 991 HA HIS 121 HA HIS 121 -30.700 -6.803 3.037 992 HB2 HIS 121 2HB HIS 121 -29.364 -4.758 3.081 993 HB3 HIS 121 1HB HIS 121 -28.085 -5.543 2.163 994 HD1 HIS 121 HD1 HIS 121 -31.651 -4.355 1.769 995 HD2 HIS 121 HD2 HIS 121 -28.389 -5.414 -0.576 996 HE1 HIS 121 HE1 HIS 121 -32.294 -3.762 -0.581 997 HE2 HIS 121 HE2 HIS 121 -30.290 -4.354 -1.977
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