NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
555393 | 2lou | 18225 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 29.104 3.558 -37.401 2 H2 MET 1 HT2 MET 1 27.421 3.572 -37.633 3 H3 MET 1 HT3 MET 1 28.424 4.532 -38.612 4 HA MET 1 HA MET 1 27.612 1.852 -38.986 5 HB2 MET 1 HB2 MET 1 29.407 3.678 -40.614 6 HB3 MET 1 HB1 MET 1 28.552 2.255 -41.212 7 HG2 MET 1 HG2 MET 1 26.729 3.512 -41.596 8 HG3 MET 1 HG1 MET 1 26.651 3.919 -39.882 9 HE1 MET 1 HE1 MET 1 27.733 4.812 -43.398 10 HE2 MET 1 HE2 MET 1 27.534 6.561 -43.331 11 HE3 MET 1 HE3 MET 1 26.179 5.511 -42.923 12 H GLU 2 HN GLU 2 28.954 1.023 -37.080 13 HA GLU 2 HA GLU 2 31.798 0.701 -37.636 14 HB2 GLU 2 HB2 GLU 2 30.773 1.085 -35.312 15 HB3 GLU 2 HB1 GLU 2 30.260 -0.602 -35.394 16 HG2 GLU 2 HG2 GLU 2 32.752 -1.060 -36.046 17 HG3 GLU 2 HG1 GLU 2 33.049 0.522 -35.327 18 H GLU 3 HN GLU 3 31.867 -0.597 -39.473 19 HA GLU 3 HA GLU 3 30.387 -2.884 -40.008 20 HB2 GLU 3 HB2 GLU 3 33.232 -2.165 -40.726 21 HB3 GLU 3 HB1 GLU 3 32.416 -3.598 -41.354 22 HG2 GLU 3 HG2 GLU 3 30.990 -0.981 -41.558 23 HG3 GLU 3 HG1 GLU 3 32.334 -1.274 -42.660 24 H GLY 4 HN GLY 4 31.951 -5.059 -40.290 25 HA2 GLY 4 HA2 GLY 4 33.673 -6.183 -38.725 26 HA3 GLY 4 HA1 GLY 4 32.462 -5.840 -37.493 27 H GLY 5 HN GLY 5 30.677 -6.340 -40.150 28 HA2 GLY 5 HA2 GLY 5 29.314 -8.058 -40.850 29 HA3 GLY 5 HA1 GLY 5 30.757 -9.062 -40.740 30 H ASP 6 HN ASP 6 28.806 -10.556 -40.179 31 HA ASP 6 HA ASP 6 27.507 -10.422 -37.701 32 HB2 ASP 6 HB2 ASP 6 27.682 -12.255 -39.837 33 HB3 ASP 6 HB1 ASP 6 28.123 -13.151 -38.384 34 H PHE 7 HN PHE 7 27.956 -12.491 -36.142 35 HA PHE 7 HA PHE 7 29.244 -13.303 -34.434 36 HB2 PHE 7 HB2 PHE 7 30.810 -14.520 -35.487 37 HB3 PHE 7 HB1 PHE 7 30.989 -13.332 -36.773 38 HD1 PHE 7 HD1 PHE 7 32.128 -14.346 -33.410 39 HD2 PHE 7 HD2 PHE 7 32.683 -11.596 -36.663 40 HE1 PHE 7 HE1 PHE 7 34.276 -13.605 -32.417 41 HE2 PHE 7 HE2 PHE 7 34.830 -10.855 -35.670 42 HZ PHE 7 HZ PHE 7 35.628 -11.859 -33.547 43 H ASP 8 HN ASP 8 29.520 -10.169 -35.571 44 HA ASP 8 HA ASP 8 31.580 -8.947 -34.251 45 HB2 ASP 8 HB2 ASP 8 30.206 -7.555 -35.555 46 HB3 ASP 8 HB1 ASP 8 28.740 -8.073 -34.724 47 H ASN 9 HN ASN 9 32.194 -9.750 -32.286 48 HA ASN 9 HA ASN 9 30.200 -9.837 -30.125 49 HB2 ASN 9 HB2 ASN 9 31.634 -11.830 -30.485 50 HB3 ASN 9 HB1 ASN 9 33.055 -10.840 -30.155 51 HD21 ASN 9 HD21 ASN 9 29.866 -11.558 -28.604 52 HD22 ASN 9 HD22 ASN 9 30.494 -11.624 -27.029 53 H TYR 10 HN TYR 10 31.362 -7.344 -31.262 54 HA TYR 10 HA TYR 10 32.076 -5.305 -30.481 55 HB2 TYR 10 HB2 TYR 10 31.957 -6.414 -27.684 56 HB3 TYR 10 HB1 TYR 10 31.655 -4.764 -28.231 57 HD1 TYR 10 HD1 TYR 10 29.648 -4.382 -29.816 58 HD2 TYR 10 HD2 TYR 10 30.175 -7.937 -27.463 59 HE1 TYR 10 HE1 TYR 10 27.236 -4.901 -30.061 60 HE2 TYR 10 HE2 TYR 10 27.762 -8.456 -27.708 61 HH TYR 10 HH TYR 10 25.852 -7.301 -29.936 62 H TYR 11 HN TYR 11 33.450 -7.493 -28.024 63 HA TYR 11 HA TYR 11 35.631 -7.995 -27.486 64 HB2 TYR 11 HB2 TYR 11 35.672 -8.009 -30.185 65 HB3 TYR 11 HB1 TYR 11 36.779 -6.671 -29.877 66 HD1 TYR 11 HD1 TYR 11 38.753 -7.032 -28.330 67 HD2 TYR 11 HD2 TYR 11 36.323 -10.262 -29.784 68 HE1 TYR 11 HE1 TYR 11 40.541 -8.645 -27.736 69 HE2 TYR 11 HE2 TYR 11 38.110 -11.875 -29.189 70 HH TYR 11 HH TYR 11 41.220 -10.761 -27.856 71 H GLY 12 HN GLY 12 37.405 -6.979 -26.496 72 HA2 GLY 12 HA2 GLY 12 38.241 -5.261 -25.181 73 HA3 GLY 12 HA1 GLY 12 38.422 -4.475 -26.746 74 H ALA 13 HN ALA 13 35.304 -5.326 -25.394 75 HA ALA 13 HA ALA 13 34.268 -2.705 -25.722 76 HB1 ALA 13 HB1 ALA 13 33.111 -4.864 -23.955 77 HB2 ALA 13 HB2 ALA 13 32.950 -4.873 -25.711 78 HB3 ALA 13 HB3 ALA 13 32.252 -3.556 -24.768 79 H ASP 14 HN ASP 14 36.053 -4.209 -23.202 80 HA ASP 14 HA ASP 14 35.161 -2.843 -20.933 81 HB2 ASP 14 HB2 ASP 14 37.638 -4.233 -21.749 82 HB3 ASP 14 HB1 ASP 14 37.825 -3.052 -20.454 83 H ASN 15 HN ASN 15 36.633 -1.622 -23.731 84 HA ASN 15 HA ASN 15 38.111 0.548 -22.649 85 HB2 ASN 15 HB2 ASN 15 38.294 -0.332 -24.999 86 HB3 ASN 15 HB1 ASN 15 36.746 0.438 -25.344 87 HD21 ASN 15 HD21 ASN 15 39.784 1.441 -23.649 88 HD22 ASN 15 HD22 ASN 15 39.894 2.936 -24.444 89 H GLN 16 HN GLN 16 34.929 -0.072 -22.306 90 HA GLN 16 HA GLN 16 34.301 2.782 -21.959 91 HB2 GLN 16 HB2 GLN 16 32.360 0.826 -23.200 92 HB3 GLN 16 HB1 GLN 16 32.161 2.569 -23.017 93 HG2 GLN 16 HG2 GLN 16 34.247 2.828 -24.460 94 HG3 GLN 16 HG1 GLN 16 34.102 1.108 -24.818 95 HE21 GLN 16 HE21 GLN 16 31.694 0.502 -25.538 96 HE22 GLN 16 HE22 GLN 16 30.990 1.577 -26.649 97 H SER 17 HN SER 17 35.078 0.973 -19.969 98 HA SER 17 HA SER 17 32.607 0.876 -18.376 99 HB2 SER 17 HB2 SER 17 32.578 -1.361 -18.292 100 HB3 SER 17 HB1 SER 17 33.946 -1.418 -19.400 101 HG SER 17 HG SER 17 34.142 -1.012 -16.595 102 H GLU 18 HN GLU 18 33.089 0.587 -16.029 103 HA GLU 18 HA GLU 18 34.809 2.524 -15.057 104 HB2 GLU 18 HB2 GLU 18 34.688 1.114 -12.882 105 HB3 GLU 18 HB1 GLU 18 33.188 1.764 -13.544 106 HG2 GLU 18 HG2 GLU 18 32.408 -0.295 -14.165 107 HG3 GLU 18 HG1 GLU 18 34.016 -0.897 -14.566 108 H CYS 19 HN CYS 19 36.832 2.371 -16.083 109 HA CYS 19 HA CYS 19 38.607 0.350 -14.890 110 HB2 CYS 19 HB2 CYS 19 38.021 0.740 -17.766 111 HB3 CYS 19 HB1 CYS 19 39.724 0.567 -17.342 112 HG CYS 19 HG CYS 19 37.589 -1.571 -16.515 113 H GLU 20 HN GLU 20 38.698 3.115 -17.153 114 HA GLU 20 HA GLU 20 40.597 4.458 -15.356 115 HB2 GLU 20 HB2 GLU 20 41.080 4.105 -18.324 116 HB3 GLU 20 HB1 GLU 20 42.116 4.970 -17.188 117 HG2 GLU 20 HG2 GLU 20 42.135 2.707 -15.878 118 HG3 GLU 20 HG1 GLU 20 41.620 2.013 -17.414 119 H TYR 21 HN TYR 21 37.858 5.001 -15.761 120 HA TYR 21 HA TYR 21 38.061 7.697 -16.922 121 HB2 TYR 21 HB2 TYR 21 36.485 7.372 -18.501 122 HB3 TYR 21 HB1 TYR 21 36.793 5.651 -18.273 123 HD1 TYR 21 HD2 TYR 21 35.479 4.459 -16.375 124 HD2 TYR 21 HD1 TYR 21 34.360 8.259 -18.036 125 HE1 TYR 21 HE2 TYR 21 33.174 4.159 -15.508 126 HE2 TYR 21 HE1 TYR 21 32.056 7.959 -17.169 127 HH TYR 21 HH TYR 21 30.612 6.492 -16.260 128 H THR 22 HN THR 22 37.537 5.961 -14.269 129 HA THR 22 HA THR 22 35.693 7.966 -13.151 130 HB THR 22 HB THR 22 34.374 5.931 -13.661 131 HG1 THR 22 HG1 THR 22 33.573 6.904 -11.930 132 HG21 THR 22 HG21 THR 22 34.903 3.820 -12.772 133 HG22 THR 22 HG22 THR 22 36.016 4.498 -11.584 134 HG23 THR 22 HG23 THR 22 36.470 4.443 -13.287 135 H ASP 23 HN ASP 23 38.110 5.449 -12.616 136 HA ASP 23 HA ASP 23 38.505 6.048 -9.842 137 HB2 ASP 23 HB2 ASP 23 39.263 4.002 -11.543 138 HB3 ASP 23 HB1 ASP 23 40.781 4.838 -11.219 139 H TRP 24 HN TRP 24 39.946 7.119 -12.866 140 HA TRP 24 HA TRP 24 41.943 8.715 -11.433 141 HB2 TRP 24 HB2 TRP 24 43.149 8.718 -13.360 142 HB3 TRP 24 HB1 TRP 24 42.132 7.333 -13.758 143 HD1 TRP 24 HD1 TRP 24 40.020 7.776 -15.361 144 HE1 TRP 24 HE1 TRP 24 39.597 9.602 -17.133 145 HE3 TRP 24 HE3 TRP 24 43.581 11.173 -13.997 146 HZ2 TRP 24 HZ2 TRP 24 40.632 12.163 -17.873 147 HZ3 TRP 24 HZ3 TRP 24 43.841 13.294 -15.250 148 HH2 TRP 24 HH2 TRP 24 42.372 13.793 -17.185 149 H LYS 25 HN LYS 25 38.816 9.104 -11.951 150 HA LYS 25 HA LYS 25 38.260 11.364 -13.370 151 HB2 LYS 25 HB2 LYS 25 36.571 10.101 -12.098 152 HB3 LYS 25 HB1 LYS 25 37.231 10.737 -10.591 153 HG2 LYS 25 HG2 LYS 25 36.109 12.677 -10.831 154 HG3 LYS 25 HG1 LYS 25 36.701 12.879 -12.481 155 HD2 LYS 25 HD2 LYS 25 34.434 11.008 -11.749 156 HD3 LYS 25 HD1 LYS 25 34.183 12.671 -12.280 157 HE2 LYS 25 HE2 LYS 25 36.015 11.276 -14.052 158 HE3 LYS 25 HE1 LYS 25 34.477 10.423 -13.928 159 HZ1 LYS 25 HZ1 LYS 25 34.397 13.327 -14.235 160 HZ2 LYS 25 HZ2 LYS 25 33.336 12.143 -14.832 161 HZ3 LYS 25 HZ3 LYS 25 34.830 12.412 -15.596 162 H SER 26 HN SER 26 39.988 11.150 -10.324 163 HA SER 26 HA SER 26 41.027 13.825 -10.678 164 HB2 SER 26 HB2 SER 26 40.274 14.363 -8.228 165 HB3 SER 26 HB1 SER 26 39.155 14.632 -9.562 166 HG SER 26 HG SER 26 37.941 13.395 -8.329 167 H SER 27 HN SER 27 40.543 11.828 -7.773 168 HA SER 27 HA SER 27 42.040 10.648 -6.475 169 HB2 SER 27 HB2 SER 27 44.360 11.065 -8.257 170 HB3 SER 27 HB1 SER 27 43.759 9.586 -7.513 171 HG SER 27 HG SER 27 41.939 10.461 -9.239 172 H GLY 28 HN GLY 28 43.620 13.369 -8.152 173 HA2 GLY 28 HA2 GLY 28 44.653 14.287 -5.530 174 HA3 GLY 28 HA1 GLY 28 45.501 14.528 -7.054 175 H ALA 29 HN ALA 29 42.051 14.850 -6.941 176 HA ALA 29 HA ALA 29 42.040 17.700 -6.484 177 HB1 ALA 29 HB1 ALA 29 41.176 16.832 -9.232 178 HB2 ALA 29 HB2 ALA 29 42.846 17.303 -8.916 179 HB3 ALA 29 HB3 ALA 29 41.538 18.456 -8.648 180 H LEU 30 HN LEU 30 40.728 15.754 -5.120 181 HA LEU 30 HA LEU 30 38.014 16.561 -5.334 182 HB2 LEU 30 HB2 LEU 30 38.096 15.002 -7.270 183 HB3 LEU 30 HB1 LEU 30 38.607 13.714 -6.184 184 HG LEU 30 HG LEU 30 36.504 13.998 -4.884 185 HD11 LEU 30 HD11 LEU 30 36.154 16.221 -6.855 186 HD12 LEU 30 HD12 LEU 30 35.709 16.153 -5.150 187 HD13 LEU 30 HD13 LEU 30 34.718 15.329 -6.353 188 HD21 LEU 30 HD21 LEU 30 35.120 12.842 -6.431 189 HD22 LEU 30 HD22 LEU 30 36.769 12.457 -6.927 190 HD23 LEU 30 HD23 LEU 30 35.841 13.667 -7.813 191 H ILE 31 HN ILE 31 40.415 14.300 -4.138 192 HA ILE 31 HA ILE 31 38.857 13.363 -1.928 193 HB ILE 31 HB ILE 31 41.854 13.322 -1.921 194 HG12 ILE 31 HG12 ILE 31 41.344 12.751 -4.217 195 HG13 ILE 31 HG11 ILE 31 41.690 11.252 -3.358 196 HG21 ILE 31 HG21 ILE 31 40.519 12.359 -0.054 197 HG22 ILE 31 HG22 ILE 31 41.477 11.143 -0.898 198 HG23 ILE 31 HG23 ILE 31 39.745 11.269 -1.204 199 HD11 ILE 31 HD11 ILE 31 39.738 10.655 -4.458 200 HD12 ILE 31 HD12 ILE 31 39.073 12.285 -4.387 201 HD13 ILE 31 HD13 ILE 31 39.064 11.267 -2.949 202 HA PRO 32 HA PRO 32 41.637 16.686 0.376 203 HB2 PRO 32 HB2 PRO 32 41.410 18.889 -1.593 204 HB3 PRO 32 HB1 PRO 32 42.812 18.365 -0.642 205 HG2 PRO 32 HG2 PRO 32 42.635 17.918 -3.272 206 HG3 PRO 32 HG1 PRO 32 43.425 16.776 -2.170 207 HD2 PRO 32 HD2 PRO 32 40.724 16.597 -3.453 208 HD3 PRO 32 HD1 PRO 32 41.893 15.306 -3.101 209 H ALA 33 HN ALA 33 38.725 16.789 -1.345 210 HA ALA 33 HA ALA 33 37.615 18.993 0.251 211 HB1 ALA 33 HB1 ALA 33 36.563 19.404 -1.690 212 HB2 ALA 33 HB2 ALA 33 35.595 17.964 -1.374 213 HB3 ALA 33 HB3 ALA 33 37.053 17.847 -2.359 214 H ILE 34 HN ILE 34 36.493 15.754 -0.758 215 HA ILE 34 HA ILE 34 34.535 15.430 1.188 216 HB ILE 34 HB ILE 34 36.248 13.165 0.167 217 HG12 ILE 34 HG12 ILE 34 34.127 14.802 -1.238 218 HG13 ILE 34 HG11 ILE 34 35.751 14.410 -1.805 219 HG21 ILE 34 HG21 ILE 34 34.439 11.821 0.675 220 HG22 ILE 34 HG22 ILE 34 33.271 13.118 0.426 221 HG23 ILE 34 HG23 ILE 34 34.225 13.063 1.908 222 HD11 ILE 34 HD11 ILE 34 34.844 11.914 -1.511 223 HD12 ILE 34 HD12 ILE 34 34.559 12.830 -2.991 224 HD13 ILE 34 HD13 ILE 34 33.293 12.714 -1.768 225 H TYR 35 HN TYR 35 38.005 15.021 1.403 226 HA TYR 35 HA TYR 35 37.895 13.728 3.996 227 HB2 TYR 35 HB2 TYR 35 39.706 13.326 2.275 228 HB3 TYR 35 HB1 TYR 35 40.305 14.944 2.638 229 HD1 TYR 35 HD1 TYR 35 39.549 11.622 4.145 230 HD2 TYR 35 HD2 TYR 35 41.591 15.375 4.591 231 HE1 TYR 35 HE1 TYR 35 40.741 10.737 6.132 232 HE2 TYR 35 HE2 TYR 35 42.784 14.489 6.578 233 HH TYR 35 HH TYR 35 43.402 11.856 7.326 234 H MET 36 HN MET 36 37.542 16.868 2.895 235 HA MET 36 HA MET 36 38.736 18.095 5.280 236 HB2 MET 36 HB2 MET 36 39.177 19.160 3.108 237 HB3 MET 36 HB1 MET 36 37.443 19.361 2.851 238 HG2 MET 36 HG2 MET 36 37.386 21.206 4.145 239 HG3 MET 36 HG1 MET 36 38.251 20.392 5.448 240 HE1 MET 36 HE1 MET 36 40.776 19.530 4.788 241 HE2 MET 36 HE2 MET 36 40.698 20.768 6.038 242 HE3 MET 36 HE3 MET 36 41.916 20.882 4.771 243 H LEU 37 HN LEU 37 35.641 17.401 3.789 244 HA LEU 37 HA LEU 37 34.175 18.944 5.782 245 HB2 LEU 37 HB2 LEU 37 33.059 17.084 3.676 246 HB3 LEU 37 HB1 LEU 37 32.210 18.369 4.537 247 HG LEU 37 HG LEU 37 34.523 18.754 2.613 248 HD11 LEU 37 HD11 LEU 37 32.336 18.149 1.565 249 HD12 LEU 37 HD12 LEU 37 32.855 19.786 1.161 250 HD13 LEU 37 HD13 LEU 37 31.600 19.533 2.375 251 HD21 LEU 37 HD21 LEU 37 33.026 20.576 4.472 252 HD22 LEU 37 HD22 LEU 37 33.608 21.213 2.934 253 HD23 LEU 37 HD23 LEU 37 34.749 20.538 4.097 254 H VAL 38 HN VAL 38 35.388 15.775 5.372 255 HA VAL 38 HA VAL 38 33.497 14.661 7.335 256 HB VAL 38 HB VAL 38 35.552 13.314 5.566 257 HG11 VAL 38 HG11 VAL 38 35.430 11.844 7.354 258 HG12 VAL 38 HG12 VAL 38 34.045 11.293 6.412 259 HG13 VAL 38 HG13 VAL 38 33.802 12.356 7.799 260 HG21 VAL 38 HG21 VAL 38 33.739 12.637 4.220 261 HG22 VAL 38 HG22 VAL 38 33.341 14.310 4.611 262 HG23 VAL 38 HG23 VAL 38 32.555 12.991 5.478 263 H PHE 39 HN PHE 39 36.420 16.210 7.267 264 HA PHE 39 HA PHE 39 37.883 14.625 9.167 265 HB2 PHE 39 HB2 PHE 39 39.302 15.958 7.907 266 HB3 PHE 39 HB1 PHE 39 38.205 17.339 7.942 267 HD1 PHE 39 HD2 PHE 39 40.364 15.232 10.158 268 HD2 PHE 39 HD1 PHE 39 38.505 19.052 9.524 269 HE1 PHE 39 HE2 PHE 39 41.576 16.147 12.118 270 HE2 PHE 39 HE1 PHE 39 39.717 19.967 11.485 271 HZ PHE 39 HZ PHE 39 41.252 18.515 12.782 272 H LEU 40 HN LEU 40 35.784 17.469 9.323 273 HA LEU 40 HA LEU 40 36.095 17.602 12.233 274 HB2 LEU 40 HB2 LEU 40 34.612 19.620 11.995 275 HB3 LEU 40 HB1 LEU 40 36.135 19.731 11.111 276 HG LEU 40 HG LEU 40 34.026 18.474 9.526 277 HD11 LEU 40 HD11 LEU 40 32.583 19.980 10.832 278 HD12 LEU 40 HD12 LEU 40 32.731 20.557 9.172 279 HD13 LEU 40 HD13 LEU 40 33.647 21.336 10.462 280 HD21 LEU 40 HD21 LEU 40 34.848 20.035 7.853 281 HD22 LEU 40 HD22 LEU 40 36.232 19.371 8.721 282 HD23 LEU 40 HD23 LEU 40 35.656 20.996 9.092 283 H LEU 41 HN LEU 41 34.391 15.716 10.244 284 HA LEU 41 HA LEU 41 32.161 15.488 12.155 285 HB2 LEU 41 HB2 LEU 41 31.976 15.785 9.167 286 HB3 LEU 41 HB1 LEU 41 30.727 14.928 10.071 287 HG LEU 41 HG LEU 41 31.603 17.597 11.091 288 HD11 LEU 41 HD11 LEU 41 29.801 17.164 8.690 289 HD12 LEU 41 HD12 LEU 41 31.322 18.056 8.718 290 HD13 LEU 41 HD13 LEU 41 29.918 18.679 9.584 291 HD21 LEU 41 HD21 LEU 41 28.802 16.527 10.801 292 HD22 LEU 41 HD22 LEU 41 29.443 17.635 12.014 293 HD23 LEU 41 HD23 LEU 41 29.854 15.922 12.081 294 H GLY 42 HN GLY 42 34.714 14.006 11.542 295 HA2 GLY 42 HA2 GLY 42 33.478 11.340 11.310 296 HA3 GLY 42 HA1 GLY 42 34.872 11.735 10.310 297 H THR 43 HN THR 43 35.161 13.389 13.173 298 HA THR 43 HA THR 43 36.229 11.280 14.825 299 HB THR 43 HB THR 43 38.044 13.078 13.244 300 HG1 THR 43 HG1 THR 43 38.899 10.617 13.950 301 HG21 THR 43 HG21 THR 43 38.435 12.014 16.031 302 HG22 THR 43 HG22 THR 43 38.818 13.613 15.394 303 HG23 THR 43 HG23 THR 43 39.815 12.226 14.953 304 H THR 44 HN THR 44 36.652 14.778 14.223 305 HA THR 44 HA THR 44 37.003 15.623 16.830 306 HB THR 44 HB THR 44 35.695 16.947 14.460 307 HG1 THR 44 HG1 THR 44 37.857 16.852 14.262 308 HG21 THR 44 HG21 THR 44 34.602 18.079 16.196 309 HG22 THR 44 HG22 THR 44 36.046 19.060 15.951 310 HG23 THR 44 HG23 THR 44 35.973 17.918 17.293 311 H GLY 45 HN GLY 45 34.132 14.445 15.296 312 HA2 GLY 45 HA2 GLY 45 32.078 15.569 16.759 313 HA3 GLY 45 HA1 GLY 45 32.066 13.910 16.169 314 H ASN 46 HN ASN 46 33.195 12.287 17.532 315 HA ASN 46 HA ASN 46 33.286 13.014 20.386 316 HB2 ASN 46 HB2 ASN 46 31.692 10.770 19.144 317 HB3 ASN 46 HB1 ASN 46 32.115 10.810 20.855 318 HD21 ASN 46 HD21 ASN 46 30.702 13.057 18.396 319 HD22 ASN 46 HD22 ASN 46 29.537 13.697 19.451 320 H GLY 47 HN GLY 47 33.267 9.693 19.798 321 HA2 GLY 47 HA2 GLY 47 34.928 8.130 20.223 322 HA3 GLY 47 HA1 GLY 47 35.679 8.919 18.839 323 H LEU 48 HN LEU 48 35.133 10.790 21.692 324 HA LEU 48 HA LEU 48 37.932 10.439 22.552 325 HB2 LEU 48 HB2 LEU 48 36.555 12.997 21.764 326 HB3 LEU 48 HB1 LEU 48 37.894 13.003 22.913 327 HG LEU 48 HG LEU 48 38.297 11.432 20.421 328 HD11 LEU 48 HD11 LEU 48 37.342 13.310 19.346 329 HD12 LEU 48 HD12 LEU 48 39.072 13.649 19.334 330 HD13 LEU 48 HD13 LEU 48 38.027 14.436 20.517 331 HD21 LEU 48 HD21 LEU 48 40.566 12.306 20.680 332 HD22 LEU 48 HD22 LEU 48 40.003 11.678 22.229 333 HD23 LEU 48 HD23 LEU 48 40.021 13.417 21.937 334 H VAL 49 HN VAL 49 34.757 11.859 23.290 335 HA VAL 49 HA VAL 49 35.027 12.536 25.925 336 HB VAL 49 HB VAL 49 32.939 12.813 24.647 337 HG11 VAL 49 HG11 VAL 49 31.655 11.051 23.900 338 HG12 VAL 49 HG12 VAL 49 32.155 9.990 25.217 339 HG13 VAL 49 HG13 VAL 49 33.236 10.270 23.852 340 HG21 VAL 49 HG21 VAL 49 31.470 12.496 26.488 341 HG22 VAL 49 HG22 VAL 49 33.060 12.701 27.222 342 HG23 VAL 49 HG23 VAL 49 32.364 11.089 27.062 343 H LEU 50 HN LEU 50 35.347 9.412 24.566 344 HA LEU 50 HA LEU 50 34.899 8.044 27.115 345 HB2 LEU 50 HB2 LEU 50 35.766 6.877 24.462 346 HB3 LEU 50 HB1 LEU 50 35.154 5.996 25.862 347 HG LEU 50 HG LEU 50 33.180 7.885 25.407 348 HD11 LEU 50 HD11 LEU 50 33.943 6.717 22.722 349 HD12 LEU 50 HD12 LEU 50 34.418 8.343 23.215 350 HD13 LEU 50 HD13 LEU 50 32.710 7.931 23.065 351 HD21 LEU 50 HD21 LEU 50 33.443 5.017 24.454 352 HD22 LEU 50 HD22 LEU 50 31.923 5.912 24.466 353 HD23 LEU 50 HD23 LEU 50 32.756 5.568 25.982 354 H TRP 51 HN TRP 51 37.509 8.616 24.770 355 HA TRP 51 HA TRP 51 39.565 7.199 25.954 356 HB2 TRP 51 HB2 TRP 51 40.387 8.105 24.048 357 HB3 TRP 51 HB1 TRP 51 39.368 9.539 24.176 358 HD1 TRP 51 HD1 TRP 51 42.584 8.064 25.715 359 HE1 TRP 51 HE1 TRP 51 44.092 10.018 26.459 360 HE3 TRP 51 HE3 TRP 51 39.497 12.001 24.690 361 HZ2 TRP 51 HZ2 TRP 51 44.001 12.873 26.601 362 HZ3 TRP 51 HZ3 TRP 51 40.232 14.324 25.138 363 HH2 TRP 51 HH2 TRP 51 42.478 14.765 26.092 364 H THR 52 HN THR 52 38.868 10.663 26.494 365 HA THR 52 HA THR 52 40.684 11.139 28.527 366 HB THR 52 HB THR 52 39.661 13.088 27.877 367 HG1 THR 52 HG1 THR 52 37.944 13.530 29.546 368 HG21 THR 52 HG21 THR 52 37.968 12.395 26.439 369 HG22 THR 52 HG22 THR 52 37.031 13.112 27.749 370 HG23 THR 52 HG23 THR 52 37.219 11.361 27.656 371 H VAL 53 HN VAL 53 37.333 9.973 28.818 372 HA VAL 53 HA VAL 53 37.463 9.709 31.672 373 HB VAL 53 HB VAL 53 35.522 8.543 29.661 374 HG11 VAL 53 HG11 VAL 53 35.051 7.248 31.502 375 HG12 VAL 53 HG12 VAL 53 34.141 8.686 31.966 376 HG13 VAL 53 HG13 VAL 53 35.752 8.410 32.629 377 HG21 VAL 53 HG21 VAL 53 35.445 10.954 29.612 378 HG22 VAL 53 HG22 VAL 53 35.512 11.046 31.372 379 HG23 VAL 53 HG23 VAL 53 34.071 10.413 30.577 380 H PHE 54 HN PHE 54 39.155 8.115 29.447 381 HA PHE 54 HA PHE 54 38.765 5.411 30.500 382 HB2 PHE 54 HB2 PHE 54 39.206 6.105 28.001 383 HB3 PHE 54 HB1 PHE 54 40.892 6.126 28.517 384 HD1 PHE 54 HD1 PHE 54 37.826 3.998 28.443 385 HD2 PHE 54 HD2 PHE 54 42.105 4.114 28.801 386 HE1 PHE 54 HE1 PHE 54 37.906 1.524 28.293 387 HE2 PHE 54 HE2 PHE 54 42.185 1.640 28.651 388 HZ PHE 54 HZ PHE 54 40.085 0.345 28.397 389 H ARG 55 HN ARG 55 40.767 8.153 30.962 390 HA ARG 55 HA ARG 55 42.915 6.583 32.197 391 HB2 ARG 55 HB2 ARG 55 42.686 9.576 31.799 392 HB3 ARG 55 HB1 ARG 55 44.119 8.699 32.335 393 HG2 ARG 55 HG2 ARG 55 44.662 8.663 30.128 394 HG3 ARG 55 HG1 ARG 55 43.486 7.352 30.032 395 HD2 ARG 55 HD2 ARG 55 42.806 8.860 28.343 396 HD3 ARG 55 HD1 ARG 55 41.723 9.199 29.690 397 HE ARG 55 HE ARG 55 42.645 11.317 29.789 398 HH11 ARG 55 HH21 ARG 55 44.805 9.125 28.206 399 HH12 ARG 55 HH22 ARG 55 45.966 10.345 27.800 400 HH21 ARG 55 HH11 ARG 55 44.163 12.922 29.260 401 HH22 ARG 55 HH12 ARG 55 45.602 12.495 28.396 402 H LYS 56 HN LYS 56 40.006 8.020 33.055 403 HA LYS 56 HA LYS 56 40.864 8.655 35.791 404 HB2 LYS 56 HB2 LYS 56 38.143 8.999 34.512 405 HB3 LYS 56 HB1 LYS 56 38.674 9.659 36.060 406 HG2 LYS 56 HG2 LYS 56 40.424 10.966 34.882 407 HG3 LYS 56 HG1 LYS 56 39.833 10.342 33.342 408 HD2 LYS 56 HD2 LYS 56 37.576 11.310 33.898 409 HD3 LYS 56 HD1 LYS 56 38.311 12.073 35.308 410 HE2 LYS 56 HE2 LYS 56 38.650 13.801 33.848 411 HE3 LYS 56 HE1 LYS 56 40.065 12.851 33.396 412 HZ1 LYS 56 HZ1 LYS 56 37.610 13.320 31.937 413 HZ2 LYS 56 HZ2 LYS 56 38.165 11.715 31.900 414 HZ3 LYS 56 HZ3 LYS 56 39.168 12.976 31.360 415 H LYS 57 HN LYS 57 37.837 7.214 34.632 416 HA LYS 57 HA LYS 57 36.679 5.346 35.298 417 HB2 LYS 57 HB2 LYS 57 39.383 4.529 35.076 418 HB3 LYS 57 HB1 LYS 57 38.760 3.822 36.565 419 HG2 LYS 57 HG2 LYS 57 37.370 3.641 33.874 420 HG3 LYS 57 HG1 LYS 57 38.382 2.372 34.561 421 HD2 LYS 57 HD2 LYS 57 36.698 1.642 35.862 422 HD3 LYS 57 HD1 LYS 57 36.427 3.261 36.506 423 HE2 LYS 57 HE2 LYS 57 35.003 3.841 34.644 424 HE3 LYS 57 HE1 LYS 57 35.413 2.346 33.802 425 HZ1 LYS 57 HZ1 LYS 57 33.893 2.617 36.335 426 HZ2 LYS 57 HZ2 LYS 57 34.436 1.132 35.713 427 HZ3 LYS 57 HZ3 LYS 57 33.309 2.060 34.844 428 H GLY 58 HN GLY 58 39.255 5.529 37.762 429 HA2 GLY 58 HA2 GLY 58 39.071 6.225 39.993 430 HA3 GLY 58 HA1 GLY 58 37.332 6.396 39.775 431 H HIS 59 HN HIS 59 38.970 3.497 38.759 432 HA HIS 59 HA HIS 59 38.208 2.067 41.201 433 HB2 HIS 59 HB2 HIS 59 37.097 1.505 38.453 434 HB3 HIS 59 HB1 HIS 59 37.139 0.277 39.719 435 HD2 HIS 59 HD2 HIS 59 35.390 3.768 39.067 436 HE1 HIS 59 HE1 HIS 59 33.435 1.853 42.282 437 HE2 HIS 59 HE2 HIS 59 33.379 3.862 40.730 438 H HIS 60 HN HIS 60 38.583 0.148 38.426 439 HA HIS 60 HA HIS 60 41.438 0.010 38.342 440 HB2 HIS 60 HB2 HIS 60 40.502 -1.206 40.559 441 HB3 HIS 60 HB1 HIS 60 40.357 -2.536 39.409 442 HD2 HIS 60 HD2 HIS 60 43.162 -1.713 37.687 443 HE1 HIS 60 HE1 HIS 60 45.039 -2.460 41.394 444 HE2 HIS 60 HE2 HIS 60 45.423 -2.208 38.896 445 H HIS 61 HN HIS 61 39.041 0.119 36.603 446 HA HIS 61 HA HIS 61 38.342 -0.738 34.590 447 HB2 HIS 61 HB2 HIS 61 40.958 -0.752 34.386 448 HB3 HIS 61 HB1 HIS 61 40.764 -2.501 34.496 449 HD2 HIS 61 HD2 HIS 61 38.590 0.103 32.388 450 HE1 HIS 61 HE1 HIS 61 39.900 -3.008 29.852 451 HE2 HIS 61 HE2 HIS 61 38.514 -0.883 29.972 452 H HIS 62 HN HIS 62 37.500 -2.036 37.017 453 HA HIS 62 HA HIS 62 36.775 -4.639 35.875 454 HB2 HIS 62 HB2 HIS 62 37.665 -5.924 37.530 455 HB3 HIS 62 HB1 HIS 62 38.795 -4.577 37.676 456 HD2 HIS 62 HD2 HIS 62 35.891 -6.215 39.699 457 HE1 HIS 62 HE1 HIS 62 37.234 -2.865 41.890 458 HE2 HIS 62 HE2 HIS 62 35.743 -4.920 41.961 459 H HIS 63 HN HIS 63 34.851 -5.533 36.771 460 HA HIS 63 HA HIS 63 33.367 -4.149 38.804 461 HB2 HIS 63 HB2 HIS 63 33.162 -2.782 36.573 462 HB3 HIS 63 HB1 HIS 63 32.043 -4.067 36.116 463 HD2 HIS 63 HD2 HIS 63 31.379 -0.777 37.325 464 HE1 HIS 63 HE1 HIS 63 29.053 -3.076 39.995 465 HE2 HIS 63 HE2 HIS 63 29.451 -0.739 39.085 466 H HIS 64 HN HIS 64 34.180 -6.783 38.574 467 HA HIS 64 HA HIS 64 32.303 -8.532 37.404 468 HB2 HIS 64 HB2 HIS 64 34.551 -9.225 38.192 469 HB3 HIS 64 HB1 HIS 64 34.013 -9.004 39.857 470 HD2 HIS 64 HD2 HIS 64 32.123 -10.934 36.919 471 HE1 HIS 64 HE1 HIS 64 32.492 -13.488 40.261 472 HE2 HIS 64 HE2 HIS 64 31.549 -13.280 37.912 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 30.761 -18.853 18.964 2 H2 MET 1 HT2 MET 1 29.979 -19.769 17.765 3 H3 MET 1 HT3 MET 1 29.908 -18.071 17.723 4 HA MET 1 HA MET 1 32.420 -19.627 17.468 5 HB2 MET 1 HB2 MET 1 30.456 -18.603 15.424 6 HB3 MET 1 HB1 MET 1 32.168 -18.765 15.024 7 HG2 MET 1 HG2 MET 1 32.125 -21.068 15.160 8 HG3 MET 1 HG1 MET 1 30.831 -21.079 16.358 9 HE1 MET 1 HE1 MET 1 31.064 -23.007 13.860 10 HE2 MET 1 HE2 MET 1 29.376 -23.085 13.364 11 HE3 MET 1 HE3 MET 1 29.783 -23.085 15.077 12 H GLU 2 HN GLU 2 33.716 -18.229 18.585 13 HA GLU 2 HA GLU 2 33.480 -15.349 18.122 14 HB2 GLU 2 HB2 GLU 2 35.452 -16.790 19.904 15 HB3 GLU 2 HB1 GLU 2 34.990 -15.088 19.962 16 HG2 GLU 2 HG2 GLU 2 32.618 -15.863 20.429 17 HG3 GLU 2 HG1 GLU 2 33.272 -17.486 20.636 18 H GLU 3 HN GLU 3 34.176 -15.295 15.931 19 HA GLU 3 HA GLU 3 36.539 -16.400 14.922 20 HB2 GLU 3 HB2 GLU 3 35.053 -13.884 14.144 21 HB3 GLU 3 HB1 GLU 3 36.395 -14.555 13.216 22 HG2 GLU 3 HG2 GLU 3 35.133 -16.712 13.051 23 HG3 GLU 3 HG1 GLU 3 33.766 -15.928 13.842 24 H GLY 4 HN GLY 4 38.481 -15.127 14.214 25 HA2 GLY 4 HA2 GLY 4 39.234 -13.016 16.129 26 HA3 GLY 4 HA1 GLY 4 40.270 -14.429 15.951 27 H GLY 5 HN GLY 5 38.817 -13.799 13.023 28 HA2 GLY 5 HA2 GLY 5 39.686 -11.803 11.620 29 HA3 GLY 5 HA1 GLY 5 41.258 -12.484 12.026 30 H ASP 6 HN ASP 6 38.502 -12.706 9.991 31 HA ASP 6 HA ASP 6 38.666 -15.324 9.027 32 HB2 ASP 6 HB2 ASP 6 37.356 -12.888 8.281 33 HB3 ASP 6 HB1 ASP 6 38.051 -13.626 6.840 34 H PHE 7 HN PHE 7 40.715 -12.572 8.470 35 HA PHE 7 HA PHE 7 42.457 -14.255 6.797 36 HB2 PHE 7 HB2 PHE 7 42.620 -12.739 5.066 37 HB3 PHE 7 HB1 PHE 7 40.937 -12.492 5.531 38 HD1 PHE 7 HD1 PHE 7 40.326 -10.580 7.039 39 HD2 PHE 7 HD2 PHE 7 44.260 -11.025 5.376 40 HE1 PHE 7 HE1 PHE 7 40.817 -8.207 7.565 41 HE2 PHE 7 HE2 PHE 7 44.751 -8.652 5.901 42 HZ PHE 7 HZ PHE 7 43.029 -7.242 6.996 43 H ASP 8 HN ASP 8 42.035 -11.453 8.880 44 HA ASP 8 HA ASP 8 44.574 -10.421 9.053 45 HB2 ASP 8 HB2 ASP 8 42.413 -9.774 10.333 46 HB3 ASP 8 HB1 ASP 8 42.973 -10.922 11.548 47 H ASN 9 HN ASN 9 46.165 -12.001 8.771 48 HA ASN 9 HA ASN 9 46.749 -13.562 11.199 49 HB2 ASN 9 HB2 ASN 9 46.210 -15.452 10.102 50 HB3 ASN 9 HB1 ASN 9 46.111 -14.618 8.552 51 HD21 ASN 9 HD21 ASN 9 47.870 -14.859 7.117 52 HD22 ASN 9 HD22 ASN 9 49.309 -15.667 7.515 53 H TYR 10 HN TYR 10 47.911 -12.295 8.098 54 HA TYR 10 HA TYR 10 50.672 -12.702 8.590 55 HB2 TYR 10 HB2 TYR 10 49.305 -10.650 6.831 56 HB3 TYR 10 HB1 TYR 10 51.015 -11.079 6.766 57 HD1 TYR 10 HD1 TYR 10 51.631 -13.528 6.308 58 HD2 TYR 10 HD2 TYR 10 47.698 -11.929 5.664 59 HE1 TYR 10 HE1 TYR 10 51.099 -15.438 4.819 60 HE2 TYR 10 HE2 TYR 10 47.165 -13.839 4.174 61 HH TYR 10 HH TYR 10 47.852 -15.963 3.594 62 H TYR 11 HN TYR 11 48.571 -9.860 9.030 63 HA TYR 11 HA TYR 11 48.789 -8.002 10.361 64 HB2 TYR 11 HB2 TYR 11 49.790 -10.143 11.869 65 HB3 TYR 11 HB1 TYR 11 50.996 -8.865 12.026 66 HD1 TYR 11 HD1 TYR 11 50.129 -6.481 12.571 67 HD2 TYR 11 HD2 TYR 11 47.803 -10.049 13.120 68 HE1 TYR 11 HE1 TYR 11 48.646 -5.270 14.146 69 HE2 TYR 11 HE2 TYR 11 46.318 -8.838 14.695 70 HH TYR 11 HH TYR 11 46.465 -5.401 15.083 71 H GLY 12 HN GLY 12 49.980 -6.109 10.415 72 HA2 GLY 12 HA2 GLY 12 51.466 -4.599 9.483 73 HA3 GLY 12 HA1 GLY 12 52.667 -5.674 10.195 74 H ALA 13 HN ALA 13 50.426 -6.468 7.582 75 HA ALA 13 HA ALA 13 52.680 -7.267 5.911 76 HB1 ALA 13 HB1 ALA 13 50.786 -8.038 4.376 77 HB2 ALA 13 HB2 ALA 13 49.691 -7.609 5.690 78 HB3 ALA 13 HB3 ALA 13 50.917 -8.853 5.935 79 H ASP 14 HN ASP 14 49.779 -6.124 4.412 80 HA ASP 14 HA ASP 14 51.086 -4.486 2.560 81 HB2 ASP 14 HB2 ASP 14 48.365 -5.169 3.234 82 HB3 ASP 14 HB1 ASP 14 48.488 -3.450 2.867 83 H ASN 15 HN ASN 15 50.151 -3.877 5.828 84 HA ASN 15 HA ASN 15 49.794 -1.138 5.919 85 HB2 ASN 15 HB2 ASN 15 51.405 -2.729 7.924 86 HB3 ASN 15 HB1 ASN 15 50.514 -1.236 8.216 87 HD21 ASN 15 HD21 ASN 15 48.046 -1.646 7.127 88 HD22 ASN 15 HD22 ASN 15 47.299 -3.017 7.792 89 H GLN 16 HN GLN 16 52.795 -2.970 5.641 90 HA GLN 16 HA GLN 16 54.338 -0.465 5.587 91 HB2 GLN 16 HB2 GLN 16 55.612 -3.163 5.398 92 HB3 GLN 16 HB1 GLN 16 56.205 -1.694 6.174 93 HG2 GLN 16 HG2 GLN 16 54.106 -2.044 7.739 94 HG3 GLN 16 HG1 GLN 16 54.242 -3.716 7.197 95 HE21 GLN 16 HE21 GLN 16 54.752 -2.912 9.931 96 HE22 GLN 16 HE22 GLN 16 56.397 -3.188 10.248 97 H SER 17 HN SER 17 52.658 -0.915 3.395 98 HA SER 17 HA SER 17 54.643 -1.022 1.261 99 HB2 SER 17 HB2 SER 17 53.558 -3.368 1.700 100 HB3 SER 17 HB1 SER 17 52.164 -2.667 0.882 101 HG SER 17 HG SER 17 53.358 -2.396 -0.928 102 H GLU 18 HN GLU 18 52.845 -1.079 -0.878 103 HA GLU 18 HA GLU 18 52.067 1.602 -1.077 104 HB2 GLU 18 HB2 GLU 18 51.087 -0.822 -2.600 105 HB3 GLU 18 HB1 GLU 18 50.746 0.847 -3.059 106 HG2 GLU 18 HG2 GLU 18 52.812 1.138 -3.927 107 HG3 GLU 18 HG1 GLU 18 53.587 0.389 -2.531 108 H CYS 19 HN CYS 19 50.943 1.939 0.963 109 HA CYS 19 HA CYS 19 48.224 0.818 1.080 110 HB2 CYS 19 HB2 CYS 19 49.496 0.606 3.136 111 HB3 CYS 19 HB1 CYS 19 49.856 2.332 3.131 112 HG CYS 19 HG CYS 19 47.162 1.067 3.929 113 H GLU 20 HN GLU 20 50.000 3.862 0.899 114 HA GLU 20 HA GLU 20 47.605 5.175 -0.131 115 HB2 GLU 20 HB2 GLU 20 49.090 6.185 2.307 116 HB3 GLU 20 HB1 GLU 20 47.848 7.083 1.433 117 HG2 GLU 20 HG2 GLU 20 46.315 5.077 1.836 118 HG3 GLU 20 HG1 GLU 20 47.532 4.503 2.976 119 H TYR 21 HN TYR 21 49.685 4.523 -1.673 120 HA TYR 21 HA TYR 21 50.950 7.130 -2.198 121 HB2 TYR 21 HB2 TYR 21 52.370 4.463 -2.057 122 HB3 TYR 21 HB1 TYR 21 53.067 5.907 -2.790 123 HD1 TYR 21 HD1 TYR 21 51.629 4.573 0.383 124 HD2 TYR 21 HD2 TYR 21 54.062 7.595 -1.459 125 HE1 TYR 21 HE1 TYR 21 52.327 5.375 2.623 126 HE2 TYR 21 HE2 TYR 21 54.760 8.398 0.781 127 HH TYR 21 HH TYR 21 53.675 6.748 3.744 128 H THR 22 HN THR 22 48.859 5.014 -3.295 129 HA THR 22 HA THR 22 49.084 5.785 -6.013 130 HB THR 22 HB THR 22 50.931 4.211 -6.103 131 HG1 THR 22 HG1 THR 22 48.479 3.450 -7.244 132 HG21 THR 22 HG21 THR 22 50.675 1.885 -5.452 133 HG22 THR 22 HG22 THR 22 48.975 2.145 -5.062 134 HG23 THR 22 HG23 THR 22 50.231 2.907 -4.085 135 H ASP 23 HN ASP 23 47.858 3.476 -3.653 136 HA ASP 23 HA ASP 23 45.559 2.727 -5.206 137 HB2 ASP 23 HB2 ASP 23 44.788 1.706 -3.059 138 HB3 ASP 23 HB1 ASP 23 46.402 1.187 -3.544 139 H TRP 24 HN TRP 24 46.141 5.641 -4.533 140 HA TRP 24 HA TRP 24 43.402 6.280 -3.662 141 HB2 TRP 24 HB2 TRP 24 44.203 8.058 -2.207 142 HB3 TRP 24 HB1 TRP 24 44.918 6.526 -1.706 143 HD1 TRP 24 HD1 TRP 24 47.474 6.055 -2.605 144 HE1 TRP 24 HE1 TRP 24 49.405 7.724 -2.970 145 HE3 TRP 24 HE3 TRP 24 44.836 10.422 -2.822 146 HZ2 TRP 24 HZ2 TRP 24 49.781 10.539 -3.310 147 HZ3 TRP 24 HZ3 TRP 24 46.004 12.580 -3.167 148 HH2 TRP 24 HH2 TRP 24 48.471 12.644 -3.410 149 H LYS 25 HN LYS 25 46.449 7.717 -4.846 150 HA LYS 25 HA LYS 25 46.804 9.479 -6.302 151 HB2 LYS 25 HB2 LYS 25 44.723 7.797 -7.704 152 HB3 LYS 25 HB1 LYS 25 45.540 9.153 -8.481 153 HG2 LYS 25 HG2 LYS 25 47.246 7.138 -7.089 154 HG3 LYS 25 HG1 LYS 25 46.514 6.666 -8.624 155 HD2 LYS 25 HD2 LYS 25 47.653 8.307 -9.828 156 HD3 LYS 25 HD1 LYS 25 47.894 9.324 -8.406 157 HE2 LYS 25 HE2 LYS 25 49.512 7.716 -7.502 158 HE3 LYS 25 HE1 LYS 25 49.244 6.651 -8.881 159 HZ1 LYS 25 HZ1 LYS 25 49.810 9.043 -10.028 160 HZ2 LYS 25 HZ2 LYS 25 50.907 7.761 -9.828 161 HZ3 LYS 25 HZ3 LYS 25 50.850 9.019 -8.687 162 H SER 26 HN SER 26 43.536 9.282 -7.459 163 HA SER 26 HA SER 26 42.380 11.261 -5.777 164 HB2 SER 26 HB2 SER 26 42.385 13.162 -7.282 165 HB3 SER 26 HB1 SER 26 44.050 12.674 -6.975 166 HG SER 26 HG SER 26 43.905 12.875 -9.149 167 H SER 27 HN SER 27 40.264 10.894 -5.895 168 HA SER 27 HA SER 27 39.175 9.390 -8.135 169 HB2 SER 27 HB2 SER 27 38.624 9.027 -5.641 170 HB3 SER 27 HB1 SER 27 37.605 10.456 -5.796 171 HG SER 27 HG SER 27 37.149 8.885 -7.882 172 H GLY 28 HN GLY 28 40.040 11.906 -8.941 173 HA2 GLY 28 HA2 GLY 28 38.979 13.277 -10.598 174 HA3 GLY 28 HA1 GLY 28 37.472 13.143 -9.694 175 H ALA 29 HN ALA 29 40.187 13.626 -7.715 176 HA ALA 29 HA ALA 29 41.091 15.482 -6.666 177 HB1 ALA 29 HB1 ALA 29 40.579 16.515 -9.084 178 HB2 ALA 29 HB2 ALA 29 41.091 17.513 -7.724 179 HB3 ALA 29 HB3 ALA 29 39.383 17.413 -8.150 180 H LEU 30 HN LEU 30 38.642 14.050 -5.916 181 HA LEU 30 HA LEU 30 37.086 16.168 -4.589 182 HB2 LEU 30 HB2 LEU 30 36.548 13.328 -5.357 183 HB3 LEU 30 HB1 LEU 30 35.689 13.992 -3.971 184 HG LEU 30 HG LEU 30 34.471 14.256 -6.165 185 HD11 LEU 30 HD11 LEU 30 33.482 16.055 -5.242 186 HD12 LEU 30 HD12 LEU 30 34.894 17.060 -5.566 187 HD13 LEU 30 HD13 LEU 30 34.804 16.120 -4.078 188 HD21 LEU 30 HD21 LEU 30 35.316 15.591 -7.889 189 HD22 LEU 30 HD22 LEU 30 36.768 14.764 -7.327 190 HD23 LEU 30 HD23 LEU 30 36.448 16.425 -6.825 191 H ILE 31 HN ILE 31 39.832 14.947 -3.875 192 HA ILE 31 HA ILE 31 39.276 13.785 -1.261 193 HB ILE 31 HB ILE 31 42.061 14.472 -1.954 194 HG12 ILE 31 HG12 ILE 31 41.280 13.921 -4.195 195 HG13 ILE 31 HG11 ILE 31 42.203 12.558 -3.570 196 HG21 ILE 31 HG21 ILE 31 41.387 13.077 -0.016 197 HG22 ILE 31 HG22 ILE 31 42.423 12.194 -1.137 198 HG23 ILE 31 HG23 ILE 31 40.684 11.902 -1.126 199 HD11 ILE 31 HD11 ILE 31 39.616 12.008 -2.718 200 HD12 ILE 31 HD12 ILE 31 40.413 11.289 -4.114 201 HD13 ILE 31 HD13 ILE 31 39.377 12.699 -4.321 202 HA PRO 32 HA PRO 32 41.565 17.983 -0.183 203 HB2 PRO 32 HB2 PRO 32 40.315 19.720 -2.235 204 HB3 PRO 32 HB1 PRO 32 41.990 19.684 -1.656 205 HG2 PRO 32 HG2 PRO 32 41.306 18.767 -4.071 206 HG3 PRO 32 HG1 PRO 32 42.602 18.029 -3.114 207 HD2 PRO 32 HD2 PRO 32 39.812 17.047 -3.583 208 HD3 PRO 32 HD1 PRO 32 41.321 16.123 -3.418 209 H ALA 33 HN ALA 33 38.491 16.953 -0.718 210 HA ALA 33 HA ALA 33 37.347 18.998 1.084 211 HB1 ALA 33 HB1 ALA 33 36.329 19.504 -0.984 212 HB2 ALA 33 HB2 ALA 33 35.147 18.494 -0.150 213 HB3 ALA 33 HB3 ALA 33 36.162 17.802 -1.415 214 H ILE 34 HN ILE 34 36.571 15.805 -0.324 215 HA ILE 34 HA ILE 34 34.908 14.835 1.637 216 HB ILE 34 HB ILE 34 36.904 13.487 -0.156 217 HG12 ILE 34 HG12 ILE 34 33.898 13.189 0.073 218 HG13 ILE 34 HG11 ILE 34 34.660 14.421 -0.934 219 HG21 ILE 34 HG21 ILE 34 35.682 11.338 0.673 220 HG22 ILE 34 HG22 ILE 34 35.319 12.294 2.111 221 HG23 ILE 34 HG23 ILE 34 36.995 11.990 1.655 222 HD11 ILE 34 HD11 ILE 34 34.184 12.487 -2.322 223 HD12 ILE 34 HD12 ILE 34 34.995 11.419 -1.177 224 HD13 ILE 34 HD13 ILE 34 35.930 12.596 -2.098 225 H TYR 35 HN TYR 35 38.449 14.370 1.521 226 HA TYR 35 HA TYR 35 38.581 13.228 4.134 227 HB2 TYR 35 HB2 TYR 35 40.525 12.609 3.187 228 HB3 TYR 35 HB1 TYR 35 40.432 13.895 1.982 229 HD1 TYR 35 HD1 TYR 35 41.299 16.160 2.485 230 HD2 TYR 35 HD2 TYR 35 41.739 12.909 5.257 231 HE1 TYR 35 HE1 TYR 35 43.017 17.450 3.724 232 HE2 TYR 35 HE2 TYR 35 43.456 14.198 6.497 233 HH TYR 35 HH TYR 35 44.860 17.072 5.238 234 H MET 36 HN MET 36 38.576 16.466 2.897 235 HA MET 36 HA MET 36 39.783 17.706 5.187 236 HB2 MET 36 HB2 MET 36 39.433 18.591 2.721 237 HB3 MET 36 HB1 MET 36 37.910 19.185 3.386 238 HG2 MET 36 HG2 MET 36 39.195 20.286 5.227 239 HG3 MET 36 HG1 MET 36 40.690 19.783 4.438 240 HE1 MET 36 HE1 MET 36 37.430 21.513 4.269 241 HE2 MET 36 HE2 MET 36 37.657 22.941 3.261 242 HE3 MET 36 HE3 MET 36 38.451 22.844 4.831 243 H LEU 37 HN LEU 37 36.564 16.710 4.296 244 HA LEU 37 HA LEU 37 35.232 18.279 6.318 245 HB2 LEU 37 HB2 LEU 37 34.304 15.968 4.598 246 HB3 LEU 37 HB1 LEU 37 33.259 16.861 5.705 247 HG LEU 37 HG LEU 37 34.884 18.445 3.765 248 HD11 LEU 37 HD11 LEU 37 32.642 16.582 3.055 249 HD12 LEU 37 HD12 LEU 37 34.094 16.982 2.137 250 HD13 LEU 37 HD13 LEU 37 32.761 18.132 2.224 251 HD21 LEU 37 HD21 LEU 37 33.157 20.005 4.031 252 HD22 LEU 37 HD22 LEU 37 33.196 19.234 5.616 253 HD23 LEU 37 HD23 LEU 37 31.970 18.767 4.439 254 H VAL 38 HN VAL 38 36.771 15.180 6.135 255 HA VAL 38 HA VAL 38 35.488 13.807 8.211 256 HB VAL 38 HB VAL 38 38.352 13.717 7.250 257 HG11 VAL 38 HG11 VAL 38 38.056 11.347 8.433 258 HG12 VAL 38 HG12 VAL 38 36.928 12.257 9.438 259 HG13 VAL 38 HG13 VAL 38 38.617 12.753 9.337 260 HG21 VAL 38 HG21 VAL 38 35.902 11.989 6.784 261 HG22 VAL 38 HG22 VAL 38 37.527 11.567 6.244 262 HG23 VAL 38 HG23 VAL 38 36.724 12.996 5.592 263 H PHE 39 HN PHE 39 37.842 16.387 8.274 264 HA PHE 39 HA PHE 39 38.639 16.082 10.996 265 HB2 PHE 39 HB2 PHE 39 39.956 17.360 9.335 266 HB3 PHE 39 HB1 PHE 39 38.670 18.565 9.262 267 HD1 PHE 39 HD1 PHE 39 38.082 19.889 11.311 268 HD2 PHE 39 HD2 PHE 39 41.511 17.307 11.153 269 HE1 PHE 39 HE1 PHE 39 39.026 21.020 13.306 270 HE2 PHE 39 HE2 PHE 39 42.456 18.439 13.148 271 HZ PHE 39 HZ PHE 39 41.212 20.295 14.224 272 H LEU 40 HN LEU 40 35.865 17.431 9.442 273 HA LEU 40 HA LEU 40 34.831 18.270 12.070 274 HB2 LEU 40 HB2 LEU 40 33.802 20.261 11.016 275 HB3 LEU 40 HB1 LEU 40 35.563 20.313 10.946 276 HG LEU 40 HG LEU 40 34.652 18.919 8.632 277 HD11 LEU 40 HD11 LEU 40 33.293 21.596 9.077 278 HD12 LEU 40 HD12 LEU 40 32.479 20.032 9.008 279 HD13 LEU 40 HD13 LEU 40 33.278 20.674 7.572 280 HD21 LEU 40 HD21 LEU 40 36.732 20.200 8.793 281 HD22 LEU 40 HD22 LEU 40 35.821 21.689 9.045 282 HD23 LEU 40 HD23 LEU 40 35.737 20.857 7.493 283 H LEU 41 HN LEU 41 34.450 15.915 10.276 284 HA LEU 41 HA LEU 41 31.630 15.676 10.542 285 HB2 LEU 41 HB2 LEU 41 31.853 17.180 8.496 286 HB3 LEU 41 HB1 LEU 41 32.574 15.794 7.677 287 HG LEU 41 HG LEU 41 30.411 14.571 8.668 288 HD11 LEU 41 HD11 LEU 41 29.713 16.775 9.749 289 HD12 LEU 41 HD12 LEU 41 28.489 15.994 8.748 290 HD13 LEU 41 HD13 LEU 41 29.397 17.369 8.118 291 HD21 LEU 41 HD21 LEU 41 29.281 15.133 6.472 292 HD22 LEU 41 HD22 LEU 41 30.949 14.585 6.313 293 HD23 LEU 41 HD23 LEU 41 30.570 16.302 6.184 294 H GLY 42 HN GLY 42 33.557 14.083 11.513 295 HA2 GLY 42 HA2 GLY 42 32.883 11.519 10.748 296 HA3 GLY 42 HA1 GLY 42 34.299 11.926 9.783 297 H THR 43 HN THR 43 35.226 13.728 12.028 298 HA THR 43 HA THR 43 36.161 11.638 13.902 299 HB THR 43 HB THR 43 37.701 13.725 12.396 300 HG1 THR 43 HG1 THR 43 37.703 11.550 11.729 301 HG21 THR 43 HG21 THR 43 38.248 12.685 15.170 302 HG22 THR 43 HG22 THR 43 38.356 14.341 14.571 303 HG23 THR 43 HG23 THR 43 39.571 13.152 14.102 304 H THR 44 HN THR 44 35.388 15.032 13.358 305 HA THR 44 HA THR 44 35.900 16.043 15.916 306 HB THR 44 HB THR 44 34.008 16.815 13.716 307 HG1 THR 44 HG1 THR 44 36.489 17.346 14.413 308 HG21 THR 44 HG21 THR 44 32.685 17.468 15.544 309 HG22 THR 44 HG22 THR 44 33.642 18.913 15.210 310 HG23 THR 44 HG23 THR 44 34.089 17.847 16.542 311 H GLY 45 HN GLY 45 33.238 14.131 14.692 312 HA2 GLY 45 HA2 GLY 45 31.192 14.521 16.439 313 HA3 GLY 45 HA1 GLY 45 31.652 12.918 15.870 314 H ASN 46 HN ASN 46 33.725 12.075 17.062 315 HA ASN 46 HA ASN 46 33.891 12.877 19.850 316 HB2 ASN 46 HB2 ASN 46 31.931 11.146 19.418 317 HB3 ASN 46 HB1 ASN 46 33.263 9.991 19.410 318 HD21 ASN 46 HD21 ASN 46 32.678 12.960 21.383 319 HD22 ASN 46 HD22 ASN 46 32.853 12.170 22.876 320 H GLY 47 HN GLY 47 36.061 13.163 19.774 321 HA2 GLY 47 HA2 GLY 47 37.864 11.144 20.146 322 HA3 GLY 47 HA1 GLY 47 37.826 11.350 18.398 323 H LEU 48 HN LEU 48 37.356 13.945 20.729 324 HA LEU 48 HA LEU 48 39.802 15.234 19.697 325 HB2 LEU 48 HB2 LEU 48 37.478 16.514 21.150 326 HB3 LEU 48 HB1 LEU 48 38.803 17.341 20.330 327 HG LEU 48 HG LEU 48 36.761 15.537 18.996 328 HD11 LEU 48 HD11 LEU 48 37.140 18.546 18.948 329 HD12 LEU 48 HD12 LEU 48 35.791 17.680 19.681 330 HD13 LEU 48 HD13 LEU 48 36.007 17.657 17.931 331 HD21 LEU 48 HD21 LEU 48 37.893 16.760 16.947 332 HD22 LEU 48 HD22 LEU 48 38.657 15.334 17.651 333 HD23 LEU 48 HD23 LEU 48 39.246 16.944 18.064 334 H VAL 49 HN VAL 49 37.906 15.224 22.726 335 HA VAL 49 HA VAL 49 39.876 16.124 24.442 336 HB VAL 49 HB VAL 49 37.568 15.838 25.163 337 HG11 VAL 49 HG11 VAL 49 36.436 13.937 24.748 338 HG12 VAL 49 HG12 VAL 49 37.587 13.007 25.708 339 HG13 VAL 49 HG13 VAL 49 37.885 13.278 23.991 340 HG21 VAL 49 HG21 VAL 49 38.101 15.332 27.344 341 HG22 VAL 49 HG22 VAL 49 39.740 15.432 26.701 342 HG23 VAL 49 HG23 VAL 49 38.966 13.861 26.902 343 H LEU 50 HN LEU 50 39.896 13.281 22.636 344 HA LEU 50 HA LEU 50 41.734 11.916 24.489 345 HB2 LEU 50 HB2 LEU 50 40.407 10.889 21.969 346 HB3 LEU 50 HB1 LEU 50 41.392 9.941 23.085 347 HG LEU 50 HG LEU 50 39.298 11.370 24.502 348 HD11 LEU 50 HD11 LEU 50 37.985 11.201 22.490 349 HD12 LEU 50 HD12 LEU 50 37.436 9.924 23.574 350 HD13 LEU 50 HD13 LEU 50 38.504 9.538 22.224 351 HD21 LEU 50 HD21 LEU 50 38.850 9.088 25.346 352 HD22 LEU 50 HD22 LEU 50 40.577 9.444 25.372 353 HD23 LEU 50 HD23 LEU 50 39.907 8.423 24.101 354 H TRP 51 HN TRP 51 41.595 13.669 21.523 355 HA TRP 51 HA TRP 51 44.155 12.687 20.551 356 HB2 TRP 51 HB2 TRP 51 43.087 13.270 18.652 357 HB3 TRP 51 HB1 TRP 51 41.952 14.312 19.507 358 HD1 TRP 51 HD1 TRP 51 45.479 14.332 18.000 359 HE1 TRP 51 HE1 TRP 51 46.166 16.776 17.553 360 HE3 TRP 51 HE3 TRP 51 41.528 16.764 20.133 361 HZ2 TRP 51 HZ2 TRP 51 45.172 19.414 18.037 362 HZ3 TRP 51 HZ3 TRP 51 41.423 19.239 20.127 363 HH2 TRP 51 HH2 TRP 51 43.239 20.566 19.082 364 H THR 52 HN THR 52 42.851 15.850 21.580 365 HA THR 52 HA THR 52 45.129 17.372 21.533 366 HB THR 52 HB THR 52 42.935 18.272 22.155 367 HG1 THR 52 HG1 THR 52 45.227 18.655 23.625 368 HG21 THR 52 HG21 THR 52 43.097 17.477 24.972 369 HG22 THR 52 HG22 THR 52 42.828 16.118 23.880 370 HG23 THR 52 HG23 THR 52 41.709 17.481 23.883 371 H VAL 53 HN VAL 53 44.243 14.899 23.860 372 HA VAL 53 HA VAL 53 46.377 15.521 25.696 373 HB VAL 53 HB VAL 53 44.423 13.243 25.436 374 HG11 VAL 53 HG11 VAL 53 45.459 12.597 27.735 375 HG12 VAL 53 HG12 VAL 53 46.868 13.497 27.178 376 HG13 VAL 53 HG13 VAL 53 46.301 12.096 26.270 377 HG21 VAL 53 HG21 VAL 53 44.164 15.725 26.525 378 HG22 VAL 53 HG22 VAL 53 44.772 14.828 27.918 379 HG23 VAL 53 HG23 VAL 53 43.290 14.310 27.113 380 H PHE 54 HN PHE 54 45.902 13.385 22.958 381 HA PHE 54 HA PHE 54 48.083 11.652 23.355 382 HB2 PHE 54 HB2 PHE 54 46.107 11.755 21.537 383 HB3 PHE 54 HB1 PHE 54 47.411 12.452 20.575 384 HD1 PHE 54 HD1 PHE 54 46.618 9.547 22.797 385 HD2 PHE 54 HD2 PHE 54 49.026 11.065 19.579 386 HE1 PHE 54 HE1 PHE 54 47.573 7.286 22.445 387 HE2 PHE 54 HE2 PHE 54 49.980 8.803 19.227 388 HZ PHE 54 HZ PHE 54 49.253 6.914 20.660 389 H ARG 55 HN ARG 55 47.879 14.912 22.101 390 HA ARG 55 HA ARG 55 50.617 14.889 21.120 391 HB2 ARG 55 HB2 ARG 55 48.379 16.882 21.163 392 HB3 ARG 55 HB1 ARG 55 50.031 17.438 20.895 393 HG2 ARG 55 HG2 ARG 55 48.873 16.935 18.758 394 HG3 ARG 55 HG1 ARG 55 50.271 15.889 19.007 395 HD2 ARG 55 HD2 ARG 55 48.896 14.052 19.675 396 HD3 ARG 55 HD1 ARG 55 47.473 15.081 19.819 397 HE ARG 55 HE ARG 55 47.180 14.917 17.515 398 HH11 ARG 55 HH21 ARG 55 50.317 13.814 18.472 399 HH12 ARG 55 HH22 ARG 55 50.718 13.170 16.915 400 HH21 ARG 55 HH11 ARG 55 47.699 14.077 15.469 401 HH22 ARG 55 HH12 ARG 55 49.236 13.318 15.215 402 H LYS 56 HN LYS 56 48.790 16.132 23.868 403 HA LYS 56 HA LYS 56 50.660 17.835 25.013 404 HB2 LYS 56 HB2 LYS 56 48.213 17.055 25.745 405 HB3 LYS 56 HB1 LYS 56 49.146 16.021 26.828 406 HG2 LYS 56 HG2 LYS 56 48.933 17.951 28.117 407 HG3 LYS 56 HG1 LYS 56 50.481 18.237 27.320 408 HD2 LYS 56 HD2 LYS 56 49.464 20.239 26.815 409 HD3 LYS 56 HD1 LYS 56 48.870 19.291 25.451 410 HE2 LYS 56 HE2 LYS 56 46.951 20.367 26.388 411 HE3 LYS 56 HE1 LYS 56 46.869 18.685 26.912 412 HZ1 LYS 56 HZ1 LYS 56 47.165 21.059 28.472 413 HZ2 LYS 56 HZ2 LYS 56 48.376 19.920 28.821 414 HZ3 LYS 56 HZ3 LYS 56 46.738 19.493 28.963 415 H LYS 57 HN LYS 57 51.019 14.566 24.359 416 HA LYS 57 HA LYS 57 52.450 13.568 26.543 417 HB2 LYS 57 HB2 LYS 57 51.676 12.489 24.231 418 HB3 LYS 57 HB1 LYS 57 53.350 12.836 23.799 419 HG2 LYS 57 HG2 LYS 57 54.088 11.649 25.870 420 HG3 LYS 57 HG1 LYS 57 52.406 11.216 26.181 421 HD2 LYS 57 HD2 LYS 57 52.280 9.908 24.175 422 HD3 LYS 57 HD1 LYS 57 53.828 10.529 23.600 423 HE2 LYS 57 HE2 LYS 57 54.994 9.419 25.444 424 HE3 LYS 57 HE1 LYS 57 53.457 8.854 26.102 425 HZ1 LYS 57 HZ1 LYS 57 53.329 7.994 23.563 426 HZ2 LYS 57 HZ2 LYS 57 53.870 7.051 24.870 427 HZ3 LYS 57 HZ3 LYS 57 54.990 7.848 23.871 428 H GLY 58 HN GLY 58 53.535 15.491 23.775 429 HA2 GLY 58 HA2 GLY 58 55.298 17.100 23.977 430 HA3 GLY 58 HA1 GLY 58 56.000 16.122 25.262 431 H HIS 59 HN HIS 59 57.567 14.696 24.759 432 HA HIS 59 HA HIS 59 58.913 14.741 22.336 433 HB2 HIS 59 HB2 HIS 59 59.758 12.405 23.147 434 HB3 HIS 59 HB1 HIS 59 60.143 13.840 24.098 435 HD2 HIS 59 HD2 HIS 59 56.517 12.425 24.425 436 HE1 HIS 59 HE1 HIS 59 58.603 11.429 27.957 437 HE2 HIS 59 HE2 HIS 59 56.323 11.451 26.839 438 H HIS 60 HN HIS 60 58.022 11.512 23.119 439 HA HIS 60 HA HIS 60 55.866 11.151 21.317 440 HB2 HIS 60 HB2 HIS 60 57.447 11.648 19.565 441 HB3 HIS 60 HB1 HIS 60 58.626 10.528 20.248 442 HD2 HIS 60 HD2 HIS 60 55.206 10.372 18.281 443 HE1 HIS 60 HE1 HIS 60 56.898 6.504 18.338 444 HE2 HIS 60 HE2 HIS 60 55.011 7.922 17.398 445 H HIS 61 HN HIS 61 58.820 9.209 21.734 446 HA HIS 61 HA HIS 61 57.660 7.509 23.732 447 HB2 HIS 61 HB2 HIS 61 56.796 6.931 21.193 448 HB3 HIS 61 HB1 HIS 61 58.201 5.875 21.351 449 HD2 HIS 61 HD2 HIS 61 57.953 4.809 24.374 450 HE1 HIS 61 HE1 HIS 61 53.915 3.941 23.503 451 HE2 HIS 61 HE2 HIS 61 55.828 3.480 25.108 452 H HIS 62 HN HIS 62 59.201 6.282 24.735 453 HA HIS 62 HA HIS 62 61.813 5.935 23.450 454 HB2 HIS 62 HB2 HIS 62 61.732 8.118 24.814 455 HB3 HIS 62 HB1 HIS 62 61.663 7.075 26.235 456 HD2 HIS 62 HD2 HIS 62 64.439 8.764 25.837 457 HE1 HIS 62 HE1 HIS 62 66.074 5.131 24.439 458 HE2 HIS 62 HE2 HIS 62 66.634 7.442 25.331 459 H HIS 63 HN HIS 63 61.068 3.716 23.444 460 HA HIS 63 HA HIS 63 62.024 2.234 25.678 461 HB2 HIS 63 HB2 HIS 63 59.660 3.086 26.375 462 HB3 HIS 63 HB1 HIS 63 59.075 1.852 25.257 463 HD2 HIS 63 HD2 HIS 63 58.757 1.444 28.583 464 HE1 HIS 63 HE1 HIS 63 61.699 -1.531 28.027 465 HE2 HIS 63 HE2 HIS 63 59.914 -0.660 29.608 466 H HIS 64 HN HIS 64 62.929 1.965 23.259 467 HA HIS 64 HA HIS 64 61.694 0.465 21.320 468 HB2 HIS 64 HB2 HIS 64 64.490 0.793 22.231 469 HB3 HIS 64 HB1 HIS 64 64.165 -0.634 21.246 470 HD2 HIS 64 HD2 HIS 64 62.581 0.194 18.767 471 HE1 HIS 64 HE1 HIS 64 64.621 3.887 18.632 472 HE2 HIS 64 HE2 HIS 64 63.159 2.284 17.313 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 57.793 -14.598 -8.168 2 H2 MET 1 HT2 MET 1 59.422 -14.625 -8.648 3 H3 MET 1 HT3 MET 1 59.007 -14.900 -7.024 4 HA MET 1 HA MET 1 59.569 -16.877 -8.627 5 HB2 MET 1 HB2 MET 1 57.150 -17.125 -6.841 6 HB3 MET 1 HB1 MET 1 58.452 -18.289 -7.097 7 HG2 MET 1 HG2 MET 1 59.990 -16.422 -6.121 8 HG3 MET 1 HG1 MET 1 58.489 -15.745 -5.488 9 HE1 MET 1 HE1 MET 1 59.623 -17.125 -2.262 10 HE2 MET 1 HE2 MET 1 58.159 -16.321 -2.821 11 HE3 MET 1 HE3 MET 1 59.727 -15.805 -3.435 12 H GLU 2 HN GLU 2 58.840 -17.898 -10.397 13 HA GLU 2 HA GLU 2 56.343 -16.986 -11.607 14 HB2 GLU 2 HB2 GLU 2 58.210 -19.021 -12.799 15 HB3 GLU 2 HB1 GLU 2 57.145 -17.880 -13.621 16 HG2 GLU 2 HG2 GLU 2 59.121 -16.735 -13.879 17 HG3 GLU 2 HG1 GLU 2 58.672 -16.120 -12.289 18 H GLU 3 HN GLU 3 55.953 -18.485 -9.276 19 HA GLU 3 HA GLU 3 55.595 -21.223 -9.540 20 HB2 GLU 3 HB2 GLU 3 54.478 -19.094 -7.843 21 HB3 GLU 3 HB1 GLU 3 53.433 -20.503 -8.024 22 HG2 GLU 3 HG2 GLU 3 56.367 -20.711 -7.316 23 HG3 GLU 3 HG1 GLU 3 55.092 -20.629 -6.103 24 H GLY 4 HN GLY 4 53.999 -22.542 -10.338 25 HA2 GLY 4 HA2 GLY 4 52.180 -23.204 -11.590 26 HA3 GLY 4 HA1 GLY 4 51.487 -21.609 -11.312 27 H GLY 5 HN GLY 5 54.554 -22.463 -12.882 28 HA2 GLY 5 HA2 GLY 5 53.611 -22.059 -15.548 29 HA3 GLY 5 HA1 GLY 5 54.431 -20.623 -14.941 30 H ASP 6 HN ASP 6 54.855 -24.138 -15.305 31 HA ASP 6 HA ASP 6 57.501 -24.482 -14.768 32 HB2 ASP 6 HB2 ASP 6 55.535 -25.823 -16.388 33 HB3 ASP 6 HB1 ASP 6 57.103 -25.863 -17.194 34 H PHE 7 HN PHE 7 56.126 -22.674 -17.394 35 HA PHE 7 HA PHE 7 58.833 -21.865 -18.211 36 HB2 PHE 7 HB2 PHE 7 58.671 -22.679 -20.298 37 HB3 PHE 7 HB1 PHE 7 57.288 -23.615 -19.734 38 HD1 PHE 7 HD1 PHE 7 58.322 -20.440 -21.351 39 HD2 PHE 7 HD2 PHE 7 55.040 -23.017 -20.331 40 HE1 PHE 7 HE1 PHE 7 56.826 -19.114 -22.818 41 HE2 PHE 7 HE2 PHE 7 53.544 -21.691 -21.799 42 HZ PHE 7 HZ PHE 7 54.437 -19.740 -23.041 43 H ASP 8 HN ASP 8 55.343 -21.292 -18.359 44 HA ASP 8 HA ASP 8 55.223 -18.809 -19.538 45 HB2 ASP 8 HB2 ASP 8 53.229 -20.028 -18.828 46 HB3 ASP 8 HB1 ASP 8 53.657 -19.778 -17.136 47 H ASN 9 HN ASN 9 54.858 -16.669 -18.466 48 HA ASN 9 HA ASN 9 56.107 -16.194 -15.910 49 HB2 ASN 9 HB2 ASN 9 58.177 -16.280 -16.994 50 HB3 ASN 9 HB1 ASN 9 57.542 -15.559 -18.473 51 HD21 ASN 9 HD21 ASN 9 56.951 -13.191 -18.343 52 HD22 ASN 9 HD22 ASN 9 57.776 -12.204 -17.235 53 H TYR 10 HN TYR 10 54.932 -14.861 -18.970 54 HA TYR 10 HA TYR 10 54.522 -12.217 -18.292 55 HB2 TYR 10 HB2 TYR 10 52.482 -13.809 -19.840 56 HB3 TYR 10 HB1 TYR 10 52.940 -12.118 -20.049 57 HD1 TYR 10 HD2 TYR 10 55.377 -11.618 -20.744 58 HD2 TYR 10 HD1 TYR 10 53.562 -15.497 -21.077 59 HE1 TYR 10 HE2 TYR 10 57.111 -12.287 -22.385 60 HE2 TYR 10 HE1 TYR 10 55.296 -16.167 -22.719 61 HH TYR 10 HH TYR 10 58.002 -14.013 -23.514 62 H TYR 11 HN TYR 11 52.354 -14.975 -17.692 63 HA TYR 11 HA TYR 11 50.695 -15.279 -16.131 64 HB2 TYR 11 HB2 TYR 11 52.588 -13.799 -14.812 65 HB3 TYR 11 HB1 TYR 11 51.157 -12.780 -14.654 66 HD1 TYR 11 HD2 TYR 11 52.271 -16.339 -14.296 67 HD2 TYR 11 HD1 TYR 11 49.551 -13.271 -13.015 68 HE1 TYR 11 HE2 TYR 11 51.385 -17.855 -12.545 69 HE2 TYR 11 HE1 TYR 11 48.665 -14.786 -11.264 70 HH TYR 11 HH TYR 11 50.215 -17.739 -10.436 71 H GLY 12 HN GLY 12 49.153 -13.301 -14.785 72 HA2 GLY 12 HA2 GLY 12 47.061 -12.811 -16.443 73 HA3 GLY 12 HA1 GLY 12 47.473 -11.732 -15.113 74 H ALA 13 HN ALA 13 50.070 -11.018 -16.303 75 HA ALA 13 HA ALA 13 50.945 -9.371 -17.642 76 HB1 ALA 13 HB1 ALA 13 48.998 -9.559 -19.806 77 HB2 ALA 13 HB2 ALA 13 49.629 -11.136 -19.330 78 HB3 ALA 13 HB3 ALA 13 50.737 -9.857 -19.829 79 H ASP 14 HN ASP 14 49.825 -7.560 -19.379 80 HA ASP 14 HA ASP 14 48.773 -5.606 -17.678 81 HB2 ASP 14 HB2 ASP 14 49.639 -4.660 -19.582 82 HB3 ASP 14 HB1 ASP 14 49.014 -5.933 -20.629 83 H ASN 15 HN ASN 15 47.192 -8.087 -19.576 84 HA ASN 15 HA ASN 15 44.607 -7.221 -19.801 85 HB2 ASN 15 HB2 ASN 15 45.799 -9.589 -20.219 86 HB3 ASN 15 HB1 ASN 15 44.937 -9.972 -18.729 87 HD21 ASN 15 HD21 ASN 15 42.650 -8.217 -19.210 88 HD22 ASN 15 HD22 ASN 15 41.769 -8.890 -20.496 89 H GLN 16 HN GLN 16 45.990 -8.842 -16.938 90 HA GLN 16 HA GLN 16 43.644 -8.038 -15.370 91 HB2 GLN 16 HB2 GLN 16 45.981 -9.850 -14.721 92 HB3 GLN 16 HB1 GLN 16 44.657 -9.491 -13.612 93 HG2 GLN 16 HG2 GLN 16 43.902 -10.403 -16.341 94 HG3 GLN 16 HG1 GLN 16 44.612 -11.611 -15.271 95 HE21 GLN 16 HE21 GLN 16 42.646 -12.770 -14.834 96 HE22 GLN 16 HE22 GLN 16 41.349 -12.077 -13.986 97 H SER 17 HN SER 17 45.133 -5.869 -16.131 98 HA SER 17 HA SER 17 46.229 -4.988 -13.547 99 HB2 SER 17 HB2 SER 17 48.057 -5.679 -15.232 100 HB3 SER 17 HB1 SER 17 47.584 -4.240 -16.130 101 HG SER 17 HG SER 17 47.773 -3.405 -13.711 102 H GLU 18 HN GLU 18 46.459 -2.576 -13.480 103 HA GLU 18 HA GLU 18 44.120 -1.239 -13.852 104 HB2 GLU 18 HB2 GLU 18 46.764 0.139 -14.310 105 HB3 GLU 18 HB1 GLU 18 45.305 0.791 -13.561 106 HG2 GLU 18 HG2 GLU 18 46.347 0.263 -11.609 107 HG3 GLU 18 HG1 GLU 18 45.790 -1.371 -11.964 108 H CYS 19 HN CYS 19 42.992 -1.506 -15.726 109 HA CYS 19 HA CYS 19 44.309 -0.914 -18.281 110 HB2 CYS 19 HB2 CYS 19 43.002 -2.903 -18.359 111 HB3 CYS 19 HB1 CYS 19 41.635 -2.122 -17.564 112 HG CYS 19 HG CYS 19 42.445 -1.726 -20.536 113 H GLU 20 HN GLU 20 41.903 0.340 -16.070 114 HA GLU 20 HA GLU 20 41.775 2.799 -17.685 115 HB2 GLU 20 HB2 GLU 20 39.272 1.917 -16.334 116 HB3 GLU 20 HB1 GLU 20 39.487 2.843 -17.821 117 HG2 GLU 20 HG2 GLU 20 40.342 0.745 -18.918 118 HG3 GLU 20 HG1 GLU 20 39.896 -0.136 -17.458 119 H TYR 21 HN TYR 21 41.103 1.212 -14.585 120 HA TYR 21 HA TYR 21 40.738 3.606 -13.095 121 HB2 TYR 21 HB2 TYR 21 41.764 1.025 -11.930 122 HB3 TYR 21 HB1 TYR 21 40.713 2.231 -11.185 123 HD1 TYR 21 HD2 TYR 21 40.892 -0.473 -13.710 124 HD2 TYR 21 HD1 TYR 21 38.340 2.264 -11.604 125 HE1 TYR 21 HE2 TYR 21 38.901 -1.702 -14.528 126 HE2 TYR 21 HE1 TYR 21 36.347 1.036 -12.422 127 HH TYR 21 HH TYR 21 36.670 -1.972 -14.258 128 H THR 22 HN THR 22 42.690 4.623 -14.268 129 HA THR 22 HA THR 22 44.851 4.757 -12.361 130 HB THR 22 HB THR 22 45.981 3.059 -13.407 131 HG1 THR 22 HG1 THR 22 47.540 4.080 -14.380 132 HG21 THR 22 HG21 THR 22 44.242 2.391 -14.928 133 HG22 THR 22 HG22 THR 22 45.711 2.598 -15.882 134 HG23 THR 22 HG23 THR 22 44.461 3.843 -15.905 135 H ASP 23 HN ASP 23 43.879 5.549 -15.697 136 HA ASP 23 HA ASP 23 45.345 7.984 -15.822 137 HB2 ASP 23 HB2 ASP 23 43.068 6.829 -17.419 138 HB3 ASP 23 HB1 ASP 23 43.680 8.453 -17.735 139 H TRP 24 HN TRP 24 41.805 7.515 -15.687 140 HA TRP 24 HA TRP 24 41.268 10.204 -14.954 141 HB2 TRP 24 HB2 TRP 24 39.027 9.568 -14.847 142 HB3 TRP 24 HB1 TRP 24 39.695 8.382 -15.968 143 HD1 TRP 24 HD1 TRP 24 39.827 5.891 -15.203 144 HE1 TRP 24 HE1 TRP 24 38.906 4.616 -13.159 145 HE3 TRP 24 HE3 TRP 24 38.487 9.827 -12.237 146 HZ2 TRP 24 HZ2 TRP 24 37.755 5.190 -10.604 147 HZ3 TRP 24 HZ3 TRP 24 37.482 9.434 -10.006 148 HH2 TRP 24 HH2 TRP 24 37.115 7.122 -9.187 149 H LYS 25 HN LYS 25 42.320 7.471 -13.166 150 HA LYS 25 HA LYS 25 41.293 7.686 -10.661 151 HB2 LYS 25 HB2 LYS 25 43.196 6.180 -11.484 152 HB3 LYS 25 HB1 LYS 25 44.275 7.514 -11.079 153 HG2 LYS 25 HG2 LYS 25 43.472 7.497 -8.763 154 HG3 LYS 25 HG1 LYS 25 42.330 6.211 -9.152 155 HD2 LYS 25 HD2 LYS 25 45.214 5.762 -9.796 156 HD3 LYS 25 HD1 LYS 25 44.717 5.659 -8.107 157 HE2 LYS 25 HE2 LYS 25 43.084 4.233 -10.175 158 HE3 LYS 25 HE1 LYS 25 44.614 3.519 -9.663 159 HZ1 LYS 25 HZ1 LYS 25 43.206 2.649 -8.116 160 HZ2 LYS 25 HZ2 LYS 25 42.168 3.993 -8.119 161 HZ3 LYS 25 HZ3 LYS 25 43.659 4.068 -7.308 162 H SER 26 HN SER 26 40.925 9.364 -9.375 163 HA SER 26 HA SER 26 42.296 11.877 -9.726 164 HB2 SER 26 HB2 SER 26 40.898 12.363 -7.546 165 HB3 SER 26 HB1 SER 26 40.094 12.226 -9.107 166 HG SER 26 HG SER 26 39.132 10.497 -8.411 167 H SER 27 HN SER 27 41.734 10.128 -6.680 168 HA SER 27 HA SER 27 43.109 9.701 -4.890 169 HB2 SER 27 HB2 SER 27 45.006 8.664 -5.494 170 HB3 SER 27 HB1 SER 27 44.644 9.127 -7.153 171 HG SER 27 HG SER 27 46.275 10.414 -5.241 172 H GLY 28 HN GLY 28 42.956 12.580 -6.498 173 HA2 GLY 28 HA2 GLY 28 43.741 14.103 -4.208 174 HA3 GLY 28 HA1 GLY 28 44.934 14.228 -5.497 175 H ALA 29 HN ALA 29 41.591 13.734 -6.293 176 HA ALA 29 HA ALA 29 41.481 16.472 -7.389 177 HB1 ALA 29 HB1 ALA 29 41.173 14.311 -8.829 178 HB2 ALA 29 HB2 ALA 29 40.084 15.677 -9.076 179 HB3 ALA 29 HB3 ALA 29 39.557 14.290 -8.123 180 H LEU 30 HN LEU 30 39.147 14.066 -6.151 181 HA LEU 30 HA LEU 30 37.584 16.274 -4.994 182 HB2 LEU 30 HB2 LEU 30 35.801 14.546 -4.755 183 HB3 LEU 30 HB1 LEU 30 36.321 14.777 -6.424 184 HG LEU 30 HG LEU 30 38.036 12.816 -5.296 185 HD11 LEU 30 HD11 LEU 30 36.461 11.107 -4.559 186 HD12 LEU 30 HD12 LEU 30 35.101 12.191 -4.854 187 HD13 LEU 30 HD13 LEU 30 36.250 12.548 -3.565 188 HD21 LEU 30 HD21 LEU 30 36.992 11.392 -7.029 189 HD22 LEU 30 HD22 LEU 30 37.342 13.002 -7.658 190 HD23 LEU 30 HD23 LEU 30 35.692 12.570 -7.210 191 H ILE 31 HN ILE 31 40.113 14.842 -3.925 192 HA ILE 31 HA ILE 31 39.184 13.586 -1.497 193 HB ILE 31 HB ILE 31 42.011 14.498 -1.875 194 HG12 ILE 31 HG12 ILE 31 41.402 13.576 -4.063 195 HG13 ILE 31 HG11 ILE 31 42.430 12.432 -3.204 196 HG21 ILE 31 HG21 ILE 31 41.317 13.351 0.196 197 HG22 ILE 31 HG22 ILE 31 42.455 12.371 -0.728 198 HG23 ILE 31 HG23 ILE 31 40.734 11.986 -0.758 199 HD11 ILE 31 HD11 ILE 31 39.407 12.303 -3.452 200 HD12 ILE 31 HD12 ILE 31 40.370 11.214 -2.456 201 HD13 ILE 31 HD13 ILE 31 40.573 11.220 -4.205 202 HA PRO 32 HA PRO 32 40.947 17.835 0.209 203 HB2 PRO 32 HB2 PRO 32 39.800 19.638 -1.847 204 HB3 PRO 32 HB1 PRO 32 41.388 19.690 -1.059 205 HG2 PRO 32 HG2 PRO 32 41.095 18.941 -3.608 206 HG3 PRO 32 HG1 PRO 32 42.327 18.230 -2.551 207 HD2 PRO 32 HD2 PRO 32 39.716 17.070 -3.451 208 HD3 PRO 32 HD1 PRO 32 41.274 16.262 -3.178 209 H ALA 33 HN ALA 33 37.966 17.004 -1.281 210 HA ALA 33 HA ALA 33 36.380 18.832 0.358 211 HB1 ALA 33 HB1 ALA 33 35.730 16.853 -1.817 212 HB2 ALA 33 HB2 ALA 33 35.485 18.600 -1.808 213 HB3 ALA 33 HB3 ALA 33 34.465 17.561 -0.812 214 H ILE 34 HN ILE 34 36.441 15.304 -0.220 215 HA ILE 34 HA ILE 34 34.826 14.555 1.923 216 HB ILE 34 HB ILE 34 37.171 13.044 0.744 217 HG12 ILE 34 HG12 ILE 34 34.218 12.863 0.076 218 HG13 ILE 34 HG11 ILE 34 35.368 13.821 -0.860 219 HG21 ILE 34 HG21 ILE 34 35.282 12.454 2.878 220 HG22 ILE 34 HG22 ILE 34 36.700 11.543 2.361 221 HG23 ILE 34 HG23 ILE 34 35.149 11.288 1.561 222 HD11 ILE 34 HD11 ILE 34 36.693 11.824 -1.341 223 HD12 ILE 34 HD12 ILE 34 35.020 11.552 -1.829 224 HD13 ILE 34 HD13 ILE 34 35.627 10.846 -0.332 225 H TYR 35 HN TYR 35 38.388 14.284 1.867 226 HA TYR 35 HA TYR 35 38.883 13.709 4.483 227 HB2 TYR 35 HB2 TYR 35 40.695 13.868 2.897 228 HB3 TYR 35 HB1 TYR 35 40.417 15.597 2.683 229 HD1 TYR 35 HD2 TYR 35 41.504 13.000 5.108 230 HD2 TYR 35 HD1 TYR 35 41.262 17.201 4.245 231 HE1 TYR 35 HE2 TYR 35 43.002 13.480 7.026 232 HE2 TYR 35 HE1 TYR 35 42.759 17.681 6.164 233 HH TYR 35 HH TYR 35 43.507 15.360 8.536 234 H MET 36 HN MET 36 38.144 16.895 3.132 235 HA MET 36 HA MET 36 38.596 18.401 5.479 236 HB2 MET 36 HB2 MET 36 37.349 18.823 2.860 237 HB3 MET 36 HB1 MET 36 36.599 19.758 4.154 238 HG2 MET 36 HG2 MET 36 39.595 19.658 3.764 239 HG3 MET 36 HG1 MET 36 38.580 20.867 2.978 240 HE1 MET 36 HE1 MET 36 38.134 23.292 4.323 241 HE2 MET 36 HE2 MET 36 36.993 22.893 5.605 242 HE3 MET 36 HE3 MET 36 36.867 22.089 4.043 243 H LEU 37 HN LEU 37 35.495 17.320 4.067 244 HA LEU 37 HA LEU 37 34.035 17.939 6.464 245 HB2 LEU 37 HB2 LEU 37 33.122 16.196 4.170 246 HB3 LEU 37 HB1 LEU 37 32.119 17.100 5.305 247 HG LEU 37 HG LEU 37 34.039 18.316 3.297 248 HD11 LEU 37 HD11 LEU 37 31.725 19.265 2.499 249 HD12 LEU 37 HD12 LEU 37 31.065 17.867 3.350 250 HD13 LEU 37 HD13 LEU 37 32.200 17.635 2.020 251 HD21 LEU 37 HD21 LEU 37 32.315 19.434 5.498 252 HD22 LEU 37 HD22 LEU 37 32.654 20.406 4.065 253 HD23 LEU 37 HD23 LEU 37 33.980 19.839 5.081 254 H VAL 38 HN VAL 38 36.279 16.090 6.782 255 HA VAL 38 HA VAL 38 34.791 13.882 8.038 256 HB VAL 38 HB VAL 38 37.108 13.642 6.129 257 HG11 VAL 38 HG11 VAL 38 37.906 12.349 7.931 258 HG12 VAL 38 HG12 VAL 38 37.040 11.173 6.941 259 HG13 VAL 38 HG13 VAL 38 36.285 11.830 8.393 260 HG21 VAL 38 HG21 VAL 38 35.656 11.890 5.164 261 HG22 VAL 38 HG22 VAL 38 34.810 13.436 5.242 262 HG23 VAL 38 HG23 VAL 38 34.464 12.181 6.432 263 H PHE 39 HN PHE 39 37.399 16.131 8.004 264 HA PHE 39 HA PHE 39 38.799 14.939 10.251 265 HB2 PHE 39 HB2 PHE 39 40.305 16.063 8.899 266 HB3 PHE 39 HB1 PHE 39 39.169 17.362 8.534 267 HD1 PHE 39 HD2 PHE 39 40.318 15.875 11.778 268 HD2 PHE 39 HD1 PHE 39 40.068 19.381 9.308 269 HE1 PHE 39 HE2 PHE 39 41.284 17.235 13.612 270 HE2 PHE 39 HE1 PHE 39 41.035 20.741 11.142 271 HZ PHE 39 HZ PHE 39 41.643 19.668 13.294 272 H LEU 40 HN LEU 40 36.651 17.690 9.650 273 HA LEU 40 HA LEU 40 36.587 18.262 12.537 274 HB2 LEU 40 HB2 LEU 40 35.344 20.327 11.802 275 HB3 LEU 40 HB1 LEU 40 36.999 20.218 11.201 276 HG LEU 40 HG LEU 40 35.045 18.921 9.438 277 HD11 LEU 40 HD11 LEU 40 34.105 21.045 8.583 278 HD12 LEU 40 HD12 LEU 40 34.900 21.917 9.893 279 HD13 LEU 40 HD13 LEU 40 33.622 20.756 10.255 280 HD21 LEU 40 HD21 LEU 40 37.098 21.120 9.029 281 HD22 LEU 40 HD22 LEU 40 36.306 20.198 7.751 282 HD23 LEU 40 HD23 LEU 40 37.413 19.393 8.864 283 H LEU 41 HN LEU 41 34.907 16.548 10.199 284 HA LEU 41 HA LEU 41 32.521 16.449 11.925 285 HB2 LEU 41 HB2 LEU 41 32.606 16.956 8.958 286 HB3 LEU 41 HB1 LEU 41 31.192 16.231 9.724 287 HG LEU 41 HG LEU 41 32.331 18.682 10.987 288 HD11 LEU 41 HD11 LEU 41 31.015 20.110 9.435 289 HD12 LEU 41 HD12 LEU 41 30.677 18.692 8.442 290 HD13 LEU 41 HD13 LEU 41 32.332 19.278 8.608 291 HD21 LEU 41 HD21 LEU 41 30.051 19.034 11.616 292 HD22 LEU 41 HD22 LEU 41 30.329 17.303 11.799 293 HD23 LEU 41 HD23 LEU 41 29.465 17.912 10.388 294 H GLY 42 HN GLY 42 34.897 14.704 11.468 295 HA2 GLY 42 HA2 GLY 42 33.445 12.211 11.219 296 HA3 GLY 42 HA1 GLY 42 34.606 12.497 9.928 297 H THR 43 HN THR 43 35.278 13.813 13.051 298 HA THR 43 HA THR 43 36.694 11.591 14.140 299 HB THR 43 HB THR 43 38.245 13.648 12.577 300 HG1 THR 43 HG1 THR 43 38.560 10.847 12.811 301 HG21 THR 43 HG21 THR 43 40.251 12.476 13.739 302 HG22 THR 43 HG22 THR 43 39.076 12.030 14.976 303 HG23 THR 43 HG23 THR 43 39.388 13.730 14.629 304 H THR 44 HN THR 44 35.877 14.952 14.034 305 HA THR 44 HA THR 44 36.873 15.366 16.774 306 HB THR 44 HB THR 44 36.022 17.230 14.571 307 HG1 THR 44 HG1 THR 44 38.161 18.019 15.806 308 HG21 THR 44 HG21 THR 44 36.502 19.020 16.400 309 HG22 THR 44 HG22 THR 44 36.136 17.722 17.536 310 HG23 THR 44 HG23 THR 44 34.917 18.246 16.375 311 H GLY 45 HN GLY 45 33.951 15.230 14.837 312 HA2 GLY 45 HA2 GLY 45 32.290 15.942 17.152 313 HA3 GLY 45 HA1 GLY 45 31.734 15.770 15.490 314 H ASN 46 HN ASN 46 33.734 13.226 15.999 315 HA ASN 46 HA ASN 46 31.677 11.504 17.214 316 HB2 ASN 46 HB2 ASN 46 31.326 10.277 15.362 317 HB3 ASN 46 HB1 ASN 46 32.069 11.608 14.476 318 HD21 ASN 46 HD21 ASN 46 34.603 11.460 14.411 319 HD22 ASN 46 HD22 ASN 46 35.254 9.907 14.193 320 H GLY 47 HN GLY 47 34.704 12.611 17.387 321 HA2 GLY 47 HA2 GLY 47 35.999 10.047 18.002 322 HA3 GLY 47 HA1 GLY 47 36.804 11.607 17.865 323 H LEU 48 HN LEU 48 33.864 11.538 19.644 324 HA LEU 48 HA LEU 48 35.310 11.345 22.207 325 HB2 LEU 48 HB2 LEU 48 33.512 13.582 21.279 326 HB3 LEU 48 HB1 LEU 48 33.819 13.272 22.988 327 HG LEU 48 HG LEU 48 36.252 13.312 21.335 328 HD11 LEU 48 HD11 LEU 48 34.520 15.781 21.631 329 HD12 LEU 48 HD12 LEU 48 35.090 15.054 20.128 330 HD13 LEU 48 HD13 LEU 48 36.235 15.833 21.221 331 HD21 LEU 48 HD21 LEU 48 37.037 14.686 23.223 332 HD22 LEU 48 HD22 LEU 48 36.215 13.243 23.814 333 HD23 LEU 48 HD23 LEU 48 35.388 14.799 23.837 334 H VAL 49 HN VAL 49 32.383 11.009 20.347 335 HA VAL 49 HA VAL 49 30.696 10.257 22.542 336 HB VAL 49 HB VAL 49 29.772 11.169 20.453 337 HG11 VAL 49 HG11 VAL 49 30.555 8.546 19.166 338 HG12 VAL 49 HG12 VAL 49 31.533 10.006 19.017 339 HG13 VAL 49 HG13 VAL 49 29.887 9.979 18.383 340 HG21 VAL 49 HG21 VAL 49 27.871 9.911 20.625 341 HG22 VAL 49 HG22 VAL 49 28.736 9.133 21.950 342 HG23 VAL 49 HG23 VAL 49 28.731 8.397 20.346 343 H LEU 50 HN LEU 50 33.357 8.809 21.781 344 HA LEU 50 HA LEU 50 32.307 6.132 22.351 345 HB2 LEU 50 HB2 LEU 50 34.123 5.315 20.630 346 HB3 LEU 50 HB1 LEU 50 32.516 5.777 20.072 347 HG LEU 50 HG LEU 50 33.325 8.014 19.491 348 HD11 LEU 50 HD11 LEU 50 35.877 6.977 20.732 349 HD12 LEU 50 HD12 LEU 50 35.004 8.463 21.108 350 HD13 LEU 50 HD13 LEU 50 35.887 8.319 19.587 351 HD21 LEU 50 HD21 LEU 50 35.068 5.761 18.449 352 HD22 LEU 50 HD22 LEU 50 34.949 7.353 17.701 353 HD23 LEU 50 HD23 LEU 50 33.533 6.303 17.770 354 H TRP 51 HN TRP 51 34.155 8.511 23.361 355 HA TRP 51 HA TRP 51 36.464 6.851 24.140 356 HB2 TRP 51 HB2 TRP 51 37.407 8.794 23.360 357 HB3 TRP 51 HB1 TRP 51 36.012 9.777 23.806 358 HD1 TRP 51 HD1 TRP 51 38.804 7.777 25.598 359 HE1 TRP 51 HE1 TRP 51 39.450 9.055 27.742 360 HE3 TRP 51 HE3 TRP 51 35.472 11.641 25.361 361 HZ2 TRP 51 HZ2 TRP 51 38.659 11.404 29.169 362 HZ3 TRP 51 HZ3 TRP 51 35.440 13.382 27.124 363 HH2 TRP 51 HH2 TRP 51 37.028 13.268 29.025 364 H THR 52 HN THR 52 34.183 9.208 25.546 365 HA THR 52 HA THR 52 34.830 8.383 28.242 366 HB THR 52 HB THR 52 34.220 10.726 27.704 367 HG1 THR 52 HG1 THR 52 33.625 10.647 29.700 368 HG21 THR 52 HG21 THR 52 31.372 9.814 27.394 369 HG22 THR 52 HG22 THR 52 32.441 9.860 25.993 370 HG23 THR 52 HG23 THR 52 32.111 11.337 26.898 371 H VAL 53 HN VAL 53 32.384 7.691 25.846 372 HA VAL 53 HA VAL 53 30.502 6.477 27.623 373 HB VAL 53 HB VAL 53 30.905 6.377 24.636 374 HG11 VAL 53 HG11 VAL 53 29.128 4.755 26.414 375 HG12 VAL 53 HG12 VAL 53 29.899 4.309 24.892 376 HG13 VAL 53 HG13 VAL 53 28.466 5.337 24.886 377 HG21 VAL 53 HG21 VAL 53 29.993 8.439 25.828 378 HG22 VAL 53 HG22 VAL 53 28.609 7.449 26.296 379 HG23 VAL 53 HG23 VAL 53 28.939 7.754 24.590 380 H PHE 54 HN PHE 54 33.156 5.271 25.614 381 HA PHE 54 HA PHE 54 32.710 2.524 25.906 382 HB2 PHE 54 HB2 PHE 54 34.709 4.172 24.804 383 HB3 PHE 54 HB1 PHE 54 35.530 3.118 25.955 384 HD1 PHE 54 HD1 PHE 54 34.966 0.589 25.859 385 HD2 PHE 54 HD2 PHE 54 34.080 3.352 22.692 386 HE1 PHE 54 HE1 PHE 54 34.786 -1.299 24.261 387 HE2 PHE 54 HE2 PHE 54 33.901 1.464 21.095 388 HZ PHE 54 HZ PHE 54 34.254 -0.863 21.880 389 H ARG 55 HN ARG 55 33.571 4.839 28.238 390 HA ARG 55 HA ARG 55 34.724 2.808 30.035 391 HB2 ARG 55 HB2 ARG 55 34.542 5.594 30.976 392 HB3 ARG 55 HB1 ARG 55 35.903 4.472 31.021 393 HG2 ARG 55 HG2 ARG 55 36.200 4.829 28.554 394 HG3 ARG 55 HG1 ARG 55 34.951 6.072 28.630 395 HD2 ARG 55 HD2 ARG 55 37.133 7.137 28.791 396 HD3 ARG 55 HD1 ARG 55 36.309 7.277 30.341 397 HE ARG 55 HE ARG 55 37.915 4.933 30.306 398 HH11 ARG 55 HH21 ARG 55 38.075 8.388 30.426 399 HH12 ARG 55 HH22 ARG 55 39.568 8.427 31.302 400 HH21 ARG 55 HH11 ARG 55 39.872 4.976 31.457 401 HH22 ARG 55 HH12 ARG 55 40.585 6.495 31.887 402 H LYS 56 HN LYS 56 31.762 3.765 29.220 403 HA LYS 56 HA LYS 56 30.718 3.969 31.965 404 HB2 LYS 56 HB2 LYS 56 29.920 5.047 29.395 405 HB3 LYS 56 HB1 LYS 56 28.589 4.179 30.162 406 HG2 LYS 56 HG2 LYS 56 28.618 6.543 30.866 407 HG3 LYS 56 HG1 LYS 56 28.933 5.474 32.234 408 HD2 LYS 56 HD2 LYS 56 30.971 6.375 32.563 409 HD3 LYS 56 HD1 LYS 56 31.399 6.165 30.864 410 HE2 LYS 56 HE2 LYS 56 29.657 8.419 31.897 411 HE3 LYS 56 HE1 LYS 56 31.391 8.566 31.611 412 HZ1 LYS 56 HZ1 LYS 56 30.088 7.404 29.376 413 HZ2 LYS 56 HZ2 LYS 56 31.041 8.807 29.452 414 HZ3 LYS 56 HZ3 LYS 56 29.374 8.892 29.766 415 H LYS 57 HN LYS 57 29.379 2.513 29.008 416 HA LYS 57 HA LYS 57 27.933 0.504 30.293 417 HB2 LYS 57 HB2 LYS 57 27.745 -0.550 28.121 418 HB3 LYS 57 HB1 LYS 57 27.653 1.199 27.909 419 HG2 LYS 57 HG2 LYS 57 29.296 0.930 26.373 420 HG3 LYS 57 HG1 LYS 57 30.369 0.720 27.757 421 HD2 LYS 57 HD2 LYS 57 29.703 -1.762 27.690 422 HD3 LYS 57 HD1 LYS 57 29.032 -1.418 26.095 423 HE2 LYS 57 HE2 LYS 57 31.411 -0.289 25.722 424 HE3 LYS 57 HE1 LYS 57 31.884 -1.415 26.995 425 HZ1 LYS 57 HZ1 LYS 57 32.117 -2.802 25.253 426 HZ2 LYS 57 HZ2 LYS 57 31.030 -1.945 24.267 427 HZ3 LYS 57 HZ3 LYS 57 30.447 -3.017 25.449 428 H GLY 58 HN GLY 58 31.241 0.847 30.181 429 HA2 GLY 58 HA2 GLY 58 32.122 -1.828 29.829 430 HA3 GLY 58 HA1 GLY 58 33.022 -0.544 30.631 431 H HIS 59 HN HIS 59 29.995 -0.829 32.019 432 HA HIS 59 HA HIS 59 30.939 -2.740 34.067 433 HB2 HIS 59 HB2 HIS 59 30.206 -1.326 35.829 434 HB3 HIS 59 HB1 HIS 59 31.138 -0.289 34.750 435 HD2 HIS 59 HD2 HIS 59 28.432 -0.100 32.567 436 HE1 HIS 59 HE1 HIS 59 26.810 2.072 35.803 437 HE2 HIS 59 HE2 HIS 59 26.572 1.568 33.326 438 H HIS 60 HN HIS 60 28.806 -2.358 31.719 439 HA HIS 60 HA HIS 60 26.717 -3.847 33.164 440 HB2 HIS 60 HB2 HIS 60 26.371 -1.213 32.422 441 HB3 HIS 60 HB1 HIS 60 25.663 -2.094 31.068 442 HD2 HIS 60 HD2 HIS 60 25.202 -1.997 35.020 443 HE1 HIS 60 HE1 HIS 60 21.666 -3.476 33.251 444 HE2 HIS 60 HE2 HIS 60 22.749 -2.789 35.442 445 H HIS 61 HN HIS 61 27.629 -2.685 29.911 446 HA HIS 61 HA HIS 61 27.822 -3.793 27.906 447 HB2 HIS 61 HB2 HIS 61 28.794 -5.578 29.815 448 HB3 HIS 61 HB1 HIS 61 27.639 -6.526 28.878 449 HD2 HIS 61 HD2 HIS 61 30.521 -3.963 27.811 450 HE1 HIS 61 HE1 HIS 61 30.526 -7.269 25.186 451 HE2 HIS 61 HE2 HIS 61 31.657 -5.062 25.732 452 H HIS 62 HN HIS 62 26.491 -4.744 26.344 453 HA HIS 62 HA HIS 62 23.718 -5.173 27.237 454 HB2 HIS 62 HB2 HIS 62 23.030 -4.564 25.048 455 HB3 HIS 62 HB1 HIS 62 24.311 -3.426 25.468 456 HD2 HIS 62 HD2 HIS 62 23.533 -6.000 22.729 457 HE1 HIS 62 HE1 HIS 62 27.643 -5.100 22.373 458 HE2 HIS 62 HE2 HIS 62 25.673 -6.244 21.251 459 H HIS 63 HN HIS 63 22.475 -6.755 25.779 460 HA HIS 63 HA HIS 63 23.932 -8.942 24.626 461 HB2 HIS 63 HB2 HIS 63 24.319 -9.506 26.961 462 HB3 HIS 63 HB1 HIS 63 22.597 -9.356 27.312 463 HD2 HIS 63 HD2 HIS 63 24.622 -11.559 24.655 464 HE1 HIS 63 HE1 HIS 63 21.522 -13.876 26.342 465 HE2 HIS 63 HE2 HIS 63 23.451 -13.893 24.691 466 H HIS 64 HN HIS 64 22.192 -7.632 23.259 467 HA HIS 64 HA HIS 64 19.463 -8.053 23.521 468 HB2 HIS 64 HB2 HIS 64 21.253 -7.169 21.467 469 HB3 HIS 64 HB1 HIS 64 20.085 -8.286 20.760 470 HD2 HIS 64 HD2 HIS 64 18.030 -6.699 19.826 471 HE1 HIS 64 HE1 HIS 64 17.763 -4.060 23.110 472 HE2 HIS 64 HE2 HIS 64 16.742 -4.682 20.870 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 31.592 4.720 -20.587 2 H2 MET 1 HT2 MET 1 30.468 5.935 -20.206 3 H3 MET 1 HT3 MET 1 30.157 4.855 -21.480 4 HA MET 1 HA MET 1 30.524 3.161 -19.425 5 HB2 MET 1 HB2 MET 1 29.075 5.629 -18.416 6 HB3 MET 1 HB1 MET 1 29.170 4.084 -17.568 7 HG2 MET 1 HG2 MET 1 31.696 5.450 -18.454 8 HG3 MET 1 HG1 MET 1 30.887 5.982 -16.979 9 HE1 MET 1 HE1 MET 1 33.199 5.569 -16.203 10 HE2 MET 1 HE2 MET 1 33.647 4.093 -15.351 11 HE3 MET 1 HE3 MET 1 32.261 5.031 -14.803 12 H GLU 2 HN GLU 2 29.492 2.389 -21.477 13 HA GLU 2 HA GLU 2 26.569 2.381 -21.143 14 HB2 GLU 2 HB2 GLU 2 27.294 4.045 -22.936 15 HB3 GLU 2 HB1 GLU 2 27.845 2.651 -23.865 16 HG2 GLU 2 HG2 GLU 2 25.671 2.860 -24.653 17 HG3 GLU 2 HG1 GLU 2 25.433 1.724 -23.327 18 H GLU 3 HN GLU 3 27.659 0.314 -20.156 19 HA GLU 3 HA GLU 3 28.672 -1.732 -21.768 20 HB2 GLU 3 HB2 GLU 3 27.084 -1.785 -19.203 21 HB3 GLU 3 HB1 GLU 3 27.699 -3.254 -19.961 22 HG2 GLU 3 HG2 GLU 3 29.966 -2.526 -19.754 23 HG3 GLU 3 HG1 GLU 3 29.472 -0.889 -19.328 24 H GLY 4 HN GLY 4 27.611 -3.711 -22.480 25 HA2 GLY 4 HA2 GLY 4 25.762 -4.955 -23.244 26 HA3 GLY 4 HA1 GLY 4 24.726 -3.564 -22.941 27 H GLY 5 HN GLY 5 27.688 -4.042 -24.875 28 HA2 GLY 5 HA2 GLY 5 26.392 -2.630 -27.107 29 HA3 GLY 5 HA1 GLY 5 28.122 -2.908 -26.927 30 H ASP 6 HN ASP 6 28.008 -5.677 -26.305 31 HA ASP 6 HA ASP 6 28.278 -7.624 -27.526 32 HB2 ASP 6 HB2 ASP 6 25.879 -7.632 -26.752 33 HB3 ASP 6 HB1 ASP 6 25.432 -7.013 -28.341 34 H PHE 7 HN PHE 7 28.816 -5.015 -28.956 35 HA PHE 7 HA PHE 7 28.892 -6.170 -31.653 36 HB2 PHE 7 HB2 PHE 7 27.783 -4.449 -32.706 37 HB3 PHE 7 HB1 PHE 7 26.893 -4.484 -31.184 38 HD1 PHE 7 HD1 PHE 7 28.624 -3.233 -29.259 39 HD2 PHE 7 HD2 PHE 7 28.027 -2.222 -33.390 40 HE1 PHE 7 HE1 PHE 7 29.324 -0.901 -28.789 41 HE2 PHE 7 HE2 PHE 7 28.726 0.110 -32.921 42 HZ PHE 7 HZ PHE 7 29.374 0.771 -30.620 43 H ASP 8 HN ASP 8 30.397 -4.644 -29.119 44 HA ASP 8 HA ASP 8 32.109 -2.751 -30.122 45 HB2 ASP 8 HB2 ASP 8 31.930 -4.056 -27.762 46 HB3 ASP 8 HB1 ASP 8 33.395 -4.794 -28.409 47 H ASN 9 HN ASN 9 33.548 -2.705 -31.717 48 HA ASN 9 HA ASN 9 35.262 -4.967 -32.277 49 HB2 ASN 9 HB2 ASN 9 33.296 -5.632 -33.551 50 HB3 ASN 9 HB1 ASN 9 33.232 -4.049 -34.326 51 HD21 ASN 9 HD21 ASN 9 34.582 -3.702 -36.147 52 HD22 ASN 9 HD22 ASN 9 35.674 -4.860 -36.735 53 H TYR 10 HN TYR 10 34.023 -1.865 -33.509 54 HA TYR 10 HA TYR 10 36.186 -1.087 -35.059 55 HB2 TYR 10 HB2 TYR 10 34.245 0.507 -33.389 56 HB3 TYR 10 HB1 TYR 10 35.481 1.282 -34.381 57 HD1 TYR 10 HD2 TYR 10 35.554 0.792 -36.868 58 HD2 TYR 10 HD1 TYR 10 32.267 -0.385 -34.365 59 HE1 TYR 10 HE2 TYR 10 34.128 0.501 -38.876 60 HE2 TYR 10 HE1 TYR 10 30.842 -0.674 -36.373 61 HH TYR 10 HH TYR 10 32.166 -0.224 -39.645 62 H TYR 11 HN TYR 11 35.691 -0.667 -31.566 63 HA TYR 11 HA TYR 11 37.208 -0.364 -29.861 64 HB2 TYR 11 HB2 TYR 11 38.552 -1.972 -31.531 65 HB3 TYR 11 HB1 TYR 11 39.566 -0.534 -31.665 66 HD1 TYR 11 HD1 TYR 11 40.311 0.601 -29.456 67 HD2 TYR 11 HD2 TYR 11 38.767 -3.402 -29.676 68 HE1 TYR 11 HE1 TYR 11 41.337 0.084 -27.259 69 HE2 TYR 11 HE2 TYR 11 39.794 -3.919 -27.479 70 HH TYR 11 HH TYR 11 40.496 -2.433 -25.386 71 H GLY 12 HN GLY 12 38.831 1.014 -32.730 72 HA2 GLY 12 HA2 GLY 12 39.927 3.255 -31.553 73 HA3 GLY 12 HA1 GLY 12 39.418 3.186 -33.239 74 H ALA 13 HN ALA 13 36.608 2.704 -32.550 75 HA ALA 13 HA ALA 13 35.506 5.188 -32.727 76 HB1 ALA 13 HB1 ALA 13 33.512 4.139 -31.434 77 HB2 ALA 13 HB2 ALA 13 34.488 2.670 -31.438 78 HB3 ALA 13 HB3 ALA 13 34.002 3.410 -32.964 79 H ASP 14 HN ASP 14 36.832 3.680 -29.877 80 HA ASP 14 HA ASP 14 35.690 5.100 -27.809 81 HB2 ASP 14 HB2 ASP 14 38.040 4.940 -26.754 82 HB3 ASP 14 HB1 ASP 14 37.231 3.437 -27.192 83 H ASN 15 HN ASN 15 37.595 6.303 -30.384 84 HA ASN 15 HA ASN 15 38.905 8.496 -29.327 85 HB2 ASN 15 HB2 ASN 15 38.852 7.667 -31.750 86 HB3 ASN 15 HB1 ASN 15 37.382 8.624 -31.925 87 HD21 ASN 15 HD21 ASN 15 38.952 10.383 -29.693 88 HD22 ASN 15 HD22 ASN 15 39.882 11.398 -30.686 89 H GLN 16 HN GLN 16 35.481 8.092 -30.037 90 HA GLN 16 HA GLN 16 34.953 10.848 -29.144 91 HB2 GLN 16 HB2 GLN 16 33.064 8.844 -30.404 92 HB3 GLN 16 HB1 GLN 16 32.730 10.547 -30.087 93 HG2 GLN 16 HG2 GLN 16 35.161 10.468 -31.534 94 HG3 GLN 16 HG1 GLN 16 34.056 9.366 -32.356 95 HE21 GLN 16 HE21 GLN 16 31.602 10.525 -32.190 96 HE22 GLN 16 HE22 GLN 16 31.608 12.093 -32.840 97 H SER 17 HN SER 17 35.794 9.047 -27.172 98 HA SER 17 HA SER 17 33.365 8.930 -25.517 99 HB2 SER 17 HB2 SER 17 35.356 6.670 -25.818 100 HB3 SER 17 HB1 SER 17 34.053 6.722 -24.634 101 HG SER 17 HG SER 17 32.954 7.278 -26.938 102 H GLU 18 HN GLU 18 34.434 7.892 -23.233 103 HA GLU 18 HA GLU 18 35.589 10.024 -21.938 104 HB2 GLU 18 HB2 GLU 18 36.090 7.103 -21.316 105 HB3 GLU 18 HB1 GLU 18 36.269 8.454 -20.197 106 HG2 GLU 18 HG2 GLU 18 34.087 8.323 -19.681 107 HG3 GLU 18 HG1 GLU 18 33.671 8.630 -21.367 108 H CYS 19 HN CYS 19 37.246 11.045 -23.020 109 HA CYS 19 HA CYS 19 39.671 9.483 -23.610 110 HB2 CYS 19 HB2 CYS 19 40.332 11.269 -25.044 111 HB3 CYS 19 HB1 CYS 19 38.619 10.996 -25.362 112 HG CYS 19 HG CYS 19 38.714 13.065 -23.257 113 H GLU 20 HN GLU 20 38.482 12.241 -21.756 114 HA GLU 20 HA GLU 20 40.850 12.051 -20.037 115 HB2 GLU 20 HB2 GLU 20 39.927 14.619 -21.349 116 HB3 GLU 20 HB1 GLU 20 41.136 14.516 -20.070 117 HG2 GLU 20 HG2 GLU 20 42.449 12.952 -21.555 118 HG3 GLU 20 HG1 GLU 20 41.306 13.318 -22.846 119 H TYR 21 HN TYR 21 38.404 11.092 -19.363 120 HA TYR 21 HA TYR 21 37.581 12.974 -17.260 121 HB2 TYR 21 HB2 TYR 21 35.595 11.465 -18.971 122 HB3 TYR 21 HB1 TYR 21 35.233 12.623 -17.692 123 HD1 TYR 21 HD2 TYR 21 36.774 12.251 -21.057 124 HD2 TYR 21 HD1 TYR 21 35.262 14.973 -18.098 125 HE1 TYR 21 HE2 TYR 21 36.905 14.107 -22.698 126 HE2 TYR 21 HE1 TYR 21 35.393 16.829 -19.738 127 HH TYR 21 HH TYR 21 36.174 16.243 -23.117 128 H THR 22 HN THR 22 39.189 10.479 -17.395 129 HA THR 22 HA THR 22 38.159 9.206 -15.079 130 HB THR 22 HB THR 22 36.534 8.233 -16.616 131 HG1 THR 22 HG1 THR 22 36.812 6.364 -15.712 132 HG21 THR 22 HG21 THR 22 38.880 7.086 -18.141 133 HG22 THR 22 HG22 THR 22 38.030 8.546 -18.644 134 HG23 THR 22 HG23 THR 22 37.173 7.008 -18.573 135 H ASP 23 HN ASP 23 40.226 9.055 -17.922 136 HA ASP 23 HA ASP 23 42.103 7.226 -16.682 137 HB2 ASP 23 HB2 ASP 23 43.386 7.469 -18.719 138 HB3 ASP 23 HB1 ASP 23 41.687 7.265 -19.143 139 H TRP 24 HN TRP 24 41.400 10.293 -15.996 140 HA TRP 24 HA TRP 24 44.154 10.875 -15.147 141 HB2 TRP 24 HB2 TRP 24 44.183 13.051 -16.028 142 HB3 TRP 24 HB1 TRP 24 43.489 12.091 -17.335 143 HD1 TRP 24 HD1 TRP 24 40.682 12.005 -17.303 144 HE1 TRP 24 HE1 TRP 24 39.054 13.954 -16.858 145 HE3 TRP 24 HE3 TRP 24 43.813 15.237 -14.889 146 HZ2 TRP 24 HZ2 TRP 24 39.076 16.541 -15.638 147 HZ3 TRP 24 HZ3 TRP 24 42.985 17.434 -14.097 148 HH2 TRP 24 HH2 TRP 24 40.622 18.089 -14.468 149 H LYS 25 HN LYS 25 41.876 9.885 -13.695 150 HA LYS 25 HA LYS 25 40.277 11.609 -12.338 151 HB2 LYS 25 HB2 LYS 25 41.226 9.002 -11.908 152 HB3 LYS 25 HB1 LYS 25 41.573 9.876 -10.417 153 HG2 LYS 25 HG2 LYS 25 39.345 8.982 -10.216 154 HG3 LYS 25 HG1 LYS 25 39.187 10.721 -10.466 155 HD2 LYS 25 HD2 LYS 25 39.265 9.615 -13.048 156 HD3 LYS 25 HD1 LYS 25 38.217 8.544 -12.118 157 HE2 LYS 25 HE2 LYS 25 36.995 10.600 -11.297 158 HE3 LYS 25 HE1 LYS 25 37.933 11.540 -12.457 159 HZ1 LYS 25 HZ1 LYS 25 36.688 9.181 -13.557 160 HZ2 LYS 25 HZ2 LYS 25 36.746 10.765 -14.166 161 HZ3 LYS 25 HZ3 LYS 25 35.588 10.344 -12.996 162 H SER 26 HN SER 26 40.492 12.593 -10.171 163 HA SER 26 HA SER 26 42.779 14.329 -10.084 164 HB2 SER 26 HB2 SER 26 41.549 14.815 -7.740 165 HB3 SER 26 HB1 SER 26 40.995 15.490 -9.268 166 HG SER 26 HG SER 26 39.782 13.365 -9.370 167 H SER 27 HN SER 27 41.441 12.426 -7.392 168 HA SER 27 HA SER 27 42.468 11.032 -5.865 169 HB2 SER 27 HB2 SER 27 43.823 10.415 -8.077 170 HB3 SER 27 HB1 SER 27 45.121 11.227 -7.207 171 HG SER 27 HG SER 27 44.913 8.933 -6.782 172 H GLY 28 HN GLY 28 43.618 14.100 -6.792 173 HA2 GLY 28 HA2 GLY 28 44.732 14.505 -4.091 174 HA3 GLY 28 HA1 GLY 28 45.649 15.031 -5.499 175 H ALA 29 HN ALA 29 42.440 15.341 -6.237 176 HA ALA 29 HA ALA 29 42.297 18.120 -5.236 177 HB1 ALA 29 HB1 ALA 29 41.126 17.404 -7.891 178 HB2 ALA 29 HB2 ALA 29 42.863 17.687 -7.779 179 HB3 ALA 29 HB3 ALA 29 41.731 18.956 -7.314 180 H LEU 30 HN LEU 30 40.885 15.093 -5.380 181 HA LEU 30 HA LEU 30 38.174 16.179 -4.912 182 HB2 LEU 30 HB2 LEU 30 39.193 13.798 -6.302 183 HB3 LEU 30 HB1 LEU 30 37.865 13.460 -5.193 184 HG LEU 30 HG LEU 30 37.124 14.035 -7.530 185 HD11 LEU 30 HD11 LEU 30 35.232 14.678 -6.504 186 HD12 LEU 30 HD12 LEU 30 35.910 16.284 -6.244 187 HD13 LEU 30 HD13 LEU 30 36.144 15.022 -5.035 188 HD21 LEU 30 HD21 LEU 30 39.053 15.974 -7.384 189 HD22 LEU 30 HD22 LEU 30 37.595 16.913 -7.066 190 HD23 LEU 30 HD23 LEU 30 37.732 15.976 -8.552 191 H ILE 31 HN ILE 31 40.868 14.782 -3.422 192 HA ILE 31 HA ILE 31 39.352 13.520 -1.275 193 HB ILE 31 HB ILE 31 42.268 13.843 -0.962 194 HG12 ILE 31 HG12 ILE 31 42.213 13.576 -3.385 195 HG13 ILE 31 HG11 ILE 31 42.720 12.053 -2.660 196 HG21 ILE 31 HG21 ILE 31 40.425 11.438 -0.927 197 HG22 ILE 31 HG22 ILE 31 40.822 12.424 0.479 198 HG23 ILE 31 HG23 ILE 31 42.083 11.493 -0.330 199 HD11 ILE 31 HD11 ILE 31 40.337 12.650 -4.251 200 HD12 ILE 31 HD12 ILE 31 39.951 11.823 -2.744 201 HD13 ILE 31 HD13 ILE 31 41.079 11.095 -3.883 202 HA PRO 32 HA PRO 32 41.621 17.256 0.946 203 HB2 PRO 32 HB2 PRO 32 41.308 19.293 -1.188 204 HB3 PRO 32 HB1 PRO 32 42.684 18.987 -0.114 205 HG2 PRO 32 HG2 PRO 32 42.743 18.345 -2.706 206 HG3 PRO 32 HG1 PRO 32 43.561 17.369 -1.474 207 HD2 PRO 32 HD2 PRO 32 40.996 16.820 -2.918 208 HD3 PRO 32 HD1 PRO 32 42.254 15.686 -2.383 209 H ALA 33 HN ALA 33 38.886 17.200 -1.152 210 HA ALA 33 HA ALA 33 37.441 19.172 0.491 211 HB1 ALA 33 HB1 ALA 33 37.407 19.408 -2.004 212 HB2 ALA 33 HB2 ALA 33 35.805 19.235 -1.287 213 HB3 ALA 33 HB3 ALA 33 36.563 17.862 -2.092 214 H ILE 34 HN ILE 34 36.900 15.955 -0.968 215 HA ILE 34 HA ILE 34 34.582 15.289 0.428 216 HB ILE 34 HB ILE 34 36.816 13.593 -0.684 217 HG12 ILE 34 HG12 ILE 34 33.924 13.870 -1.539 218 HG13 ILE 34 HG11 ILE 34 35.206 14.903 -2.171 219 HG21 ILE 34 HG21 ILE 34 34.427 12.832 0.948 220 HG22 ILE 34 HG22 ILE 34 36.026 12.090 0.888 221 HG23 ILE 34 HG23 ILE 34 34.869 11.799 -0.410 222 HD11 ILE 34 HD11 ILE 34 36.039 13.258 -3.492 223 HD12 ILE 34 HD12 ILE 34 34.484 12.468 -3.236 224 HD13 ILE 34 HD13 ILE 34 35.866 12.039 -2.230 225 H TYR 35 HN TYR 35 37.623 13.629 1.170 226 HA TYR 35 HA TYR 35 37.072 12.739 3.675 227 HB2 TYR 35 HB2 TYR 35 39.183 12.288 2.461 228 HB3 TYR 35 HB1 TYR 35 39.727 13.925 2.828 229 HD1 TYR 35 HD2 TYR 35 38.635 10.722 4.396 230 HD2 TYR 35 HD1 TYR 35 40.697 14.453 4.924 231 HE1 TYR 35 HE2 TYR 35 39.449 9.959 6.612 232 HE2 TYR 35 HE1 TYR 35 41.511 13.690 7.138 233 HH TYR 35 HH TYR 35 40.932 10.392 8.272 234 H MET 36 HN MET 36 38.280 15.979 2.856 235 HA MET 36 HA MET 36 38.655 17.017 5.397 236 HB2 MET 36 HB2 MET 36 39.329 18.429 3.667 237 HB3 MET 36 HB1 MET 36 37.811 18.241 2.788 238 HG2 MET 36 HG2 MET 36 36.650 19.689 4.235 239 HG3 MET 36 HG1 MET 36 37.852 19.522 5.515 240 HE1 MET 36 HE1 MET 36 39.143 21.628 6.075 241 HE2 MET 36 HE2 MET 36 40.463 21.983 4.963 242 HE3 MET 36 HE3 MET 36 40.160 20.320 5.458 243 H LEU 37 HN LEU 37 35.705 17.505 3.436 244 HA LEU 37 HA LEU 37 34.082 18.634 5.335 245 HB2 LEU 37 HB2 LEU 37 33.300 16.601 3.232 246 HB3 LEU 37 HB1 LEU 37 32.171 17.640 4.101 247 HG LEU 37 HG LEU 37 34.496 18.936 2.742 248 HD11 LEU 37 HD11 LEU 37 33.224 19.031 0.621 249 HD12 LEU 37 HD12 LEU 37 32.004 17.959 1.311 250 HD13 LEU 37 HD13 LEU 37 33.644 17.371 1.041 251 HD21 LEU 37 HD21 LEU 37 33.110 20.805 2.757 252 HD22 LEU 37 HD22 LEU 37 32.523 19.959 4.189 253 HD23 LEU 37 HD23 LEU 37 31.637 19.840 2.669 254 H VAL 38 HN VAL 38 34.723 15.179 4.848 255 HA VAL 38 HA VAL 38 33.024 14.450 7.096 256 HB VAL 38 HB VAL 38 34.895 12.583 5.659 257 HG11 VAL 38 HG11 VAL 38 33.188 12.197 7.737 258 HG12 VAL 38 HG12 VAL 38 33.582 10.943 6.562 259 HG13 VAL 38 HG13 VAL 38 32.104 11.888 6.381 260 HG21 VAL 38 HG21 VAL 38 32.196 13.602 4.717 261 HG22 VAL 38 HG22 VAL 38 33.028 12.206 4.033 262 HG23 VAL 38 HG23 VAL 38 33.742 13.813 3.894 263 H PHE 39 HN PHE 39 35.530 16.118 7.378 264 HA PHE 39 HA PHE 39 37.055 14.361 9.201 265 HB2 PHE 39 HB2 PHE 39 38.211 15.607 7.266 266 HB3 PHE 39 HB1 PHE 39 37.954 17.065 8.225 267 HD1 PHE 39 HD2 PHE 39 39.285 13.574 8.537 268 HD2 PHE 39 HD1 PHE 39 39.522 17.652 9.864 269 HE1 PHE 39 HE2 PHE 39 41.261 13.008 9.923 270 HE2 PHE 39 HE1 PHE 39 41.498 17.087 11.249 271 HZ PHE 39 HZ PHE 39 42.368 14.765 11.279 272 H LEU 40 HN LEU 40 35.291 17.388 8.932 273 HA LEU 40 HA LEU 40 35.880 18.186 11.657 274 HB2 LEU 40 HB2 LEU 40 33.692 19.381 9.984 275 HB3 LEU 40 HB1 LEU 40 34.737 20.160 11.173 276 HG LEU 40 HG LEU 40 35.555 19.154 8.433 277 HD11 LEU 40 HD11 LEU 40 35.268 21.898 9.678 278 HD12 LEU 40 HD12 LEU 40 34.435 21.267 8.258 279 HD13 LEU 40 HD13 LEU 40 36.163 21.615 8.184 280 HD21 LEU 40 HD21 LEU 40 37.438 18.734 9.794 281 HD22 LEU 40 HD22 LEU 40 37.134 20.148 10.804 282 HD23 LEU 40 HD23 LEU 40 37.747 20.352 9.163 283 H LEU 41 HN LEU 41 33.700 16.090 10.137 284 HA LEU 41 HA LEU 41 32.072 15.967 12.593 285 HB2 LEU 41 HB2 LEU 41 30.976 15.821 9.774 286 HB3 LEU 41 HB1 LEU 41 30.046 15.642 11.262 287 HG LEU 41 HG LEU 41 31.344 18.020 11.705 288 HD11 LEU 41 HD11 LEU 41 31.352 19.332 9.728 289 HD12 LEU 41 HD12 LEU 41 30.425 18.130 8.829 290 HD13 LEU 41 HD13 LEU 41 32.107 17.811 9.250 291 HD21 LEU 41 HD21 LEU 41 29.148 19.051 11.179 292 HD22 LEU 41 HD22 LEU 41 28.958 17.554 12.092 293 HD23 LEU 41 HD23 LEU 41 28.663 17.571 10.353 294 H GLY 42 HN GLY 42 34.321 14.406 11.181 295 HA2 GLY 42 HA2 GLY 42 32.995 11.759 11.323 296 HA3 GLY 42 HA1 GLY 42 34.233 12.123 10.127 297 H THR 43 HN THR 43 35.461 13.830 12.441 298 HA THR 43 HA THR 43 36.558 11.656 14.082 299 HB THR 43 HB THR 43 38.870 12.772 13.660 300 HG1 THR 43 HG1 THR 43 38.999 13.675 11.582 301 HG21 THR 43 HG21 THR 43 38.471 10.508 12.991 302 HG22 THR 43 HG22 THR 43 39.146 11.331 11.585 303 HG23 THR 43 HG23 THR 43 37.413 11.016 11.675 304 H THR 44 HN THR 44 37.070 15.130 13.409 305 HA THR 44 HA THR 44 37.904 16.001 15.856 306 HB THR 44 HB THR 44 36.108 17.288 13.815 307 HG1 THR 44 HG1 THR 44 38.025 18.603 13.675 308 HG21 THR 44 HG21 THR 44 36.659 19.421 15.201 309 HG22 THR 44 HG22 THR 44 36.904 18.294 16.536 310 HG23 THR 44 HG23 THR 44 35.334 18.389 15.739 311 H GLY 45 HN GLY 45 34.734 14.864 14.994 312 HA2 GLY 45 HA2 GLY 45 33.301 15.970 17.197 313 HA3 GLY 45 HA1 GLY 45 32.782 14.616 16.197 314 H ASN 46 HN ASN 46 34.722 12.752 16.606 315 HA ASN 46 HA ASN 46 35.069 10.975 18.046 316 HB2 ASN 46 HB2 ASN 46 36.651 13.135 18.708 317 HB3 ASN 46 HB1 ASN 46 35.931 12.691 20.255 318 HD21 ASN 46 HD21 ASN 46 38.336 11.810 17.935 319 HD22 ASN 46 HD22 ASN 46 38.790 10.338 18.649 320 H GLY 47 HN GLY 47 32.443 12.522 18.293 321 HA2 GLY 47 HA2 GLY 47 30.890 11.094 19.849 322 HA3 GLY 47 HA1 GLY 47 31.760 11.981 21.097 323 H LEU 48 HN LEU 48 30.862 13.275 17.946 324 HA LEU 48 HA LEU 48 28.840 14.995 19.243 325 HB2 LEU 48 HB2 LEU 48 30.955 15.858 17.256 326 HB3 LEU 48 HB1 LEU 48 29.638 16.876 17.831 327 HG LEU 48 HG LEU 48 31.736 15.591 19.609 328 HD11 LEU 48 HD11 LEU 48 31.877 17.905 17.946 329 HD12 LEU 48 HD12 LEU 48 33.067 17.333 19.117 330 HD13 LEU 48 HD13 LEU 48 31.798 18.451 19.621 331 HD21 LEU 48 HD21 LEU 48 30.065 15.975 21.129 332 HD22 LEU 48 HD22 LEU 48 29.247 17.144 20.095 333 HD23 LEU 48 HD23 LEU 48 30.653 17.634 21.038 334 H VAL 49 HN VAL 49 30.043 13.434 16.331 335 HA VAL 49 HA VAL 49 27.670 14.168 14.806 336 HB VAL 49 HB VAL 49 29.840 14.105 13.667 337 HG11 VAL 49 HG11 VAL 49 31.054 12.014 13.398 338 HG12 VAL 49 HG12 VAL 49 29.804 11.134 14.276 339 HG13 VAL 49 HG13 VAL 49 30.814 12.309 15.120 340 HG21 VAL 49 HG21 VAL 49 27.557 13.293 12.628 341 HG22 VAL 49 HG22 VAL 49 28.345 11.716 12.624 342 HG23 VAL 49 HG23 VAL 49 29.056 13.060 11.730 343 H LEU 50 HN LEU 50 28.410 11.889 17.092 344 HA LEU 50 HA LEU 50 26.303 10.076 16.090 345 HB2 LEU 50 HB2 LEU 50 27.543 8.158 16.939 346 HB3 LEU 50 HB1 LEU 50 28.535 9.036 15.775 347 HG LEU 50 HG LEU 50 29.105 10.278 18.202 348 HD11 LEU 50 HD11 LEU 50 29.195 7.281 18.613 349 HD12 LEU 50 HD12 LEU 50 27.904 8.296 19.256 350 HD13 LEU 50 HD13 LEU 50 29.568 8.541 19.789 351 HD21 LEU 50 HD21 LEU 50 31.299 9.170 17.936 352 HD22 LEU 50 HD22 LEU 50 30.690 9.743 16.384 353 HD23 LEU 50 HD23 LEU 50 30.584 8.032 16.794 354 H TRP 51 HN TRP 51 27.288 12.170 18.456 355 HA TRP 51 HA TRP 51 26.182 10.726 20.728 356 HB2 TRP 51 HB2 TRP 51 27.918 12.057 21.468 357 HB3 TRP 51 HB1 TRP 51 27.564 13.344 20.316 358 HD1 TRP 51 HD1 TRP 51 25.751 11.693 23.321 359 HE1 TRP 51 HE1 TRP 51 24.580 13.556 24.664 360 HE3 TRP 51 HE3 TRP 51 26.986 15.746 20.471 361 HZ2 TRP 51 HZ2 TRP 51 24.215 16.391 24.545 362 HZ3 TRP 51 HZ3 TRP 51 26.215 18.013 21.107 363 HH2 TRP 51 HH2 TRP 51 24.831 18.340 23.139 364 H THR 52 HN THR 52 25.533 14.048 19.633 365 HA THR 52 HA THR 52 23.046 14.378 20.732 366 HB THR 52 HB THR 52 23.782 16.322 19.752 367 HG1 THR 52 HG1 THR 52 21.654 15.389 18.765 368 HG21 THR 52 HG21 THR 52 24.779 14.488 17.603 369 HG22 THR 52 HG22 THR 52 25.659 15.699 18.533 370 HG23 THR 52 HG23 THR 52 24.573 16.200 17.238 371 H VAL 53 HN VAL 53 23.785 12.974 17.548 372 HA VAL 53 HA VAL 53 21.237 12.558 16.574 373 HB VAL 53 HB VAL 53 23.719 10.852 16.340 374 HG11 VAL 53 HG11 VAL 53 20.962 10.509 15.190 375 HG12 VAL 53 HG12 VAL 53 22.058 9.285 15.831 376 HG13 VAL 53 HG13 VAL 53 22.369 10.010 14.253 377 HG21 VAL 53 HG21 VAL 53 23.761 11.868 14.072 378 HG22 VAL 53 HG22 VAL 53 23.828 13.096 15.337 379 HG23 VAL 53 HG23 VAL 53 22.318 12.797 14.476 380 H PHE 54 HN PHE 54 22.979 10.741 19.033 381 HA PHE 54 HA PHE 54 21.178 8.543 19.176 382 HB2 PHE 54 HB2 PHE 54 23.596 8.834 20.146 383 HB3 PHE 54 HB1 PHE 54 22.750 9.489 21.547 384 HD1 PHE 54 HD2 PHE 54 21.215 8.096 22.866 385 HD2 PHE 54 HD1 PHE 54 23.369 6.494 19.513 386 HE1 PHE 54 HE2 PHE 54 20.666 5.796 23.613 387 HE2 PHE 54 HE1 PHE 54 22.821 4.194 20.259 388 HZ PHE 54 HZ PHE 54 21.470 3.844 22.309 389 H ARG 55 HN ARG 55 21.070 11.785 20.358 390 HA ARG 55 HA ARG 55 18.899 11.144 22.234 391 HB2 ARG 55 HB2 ARG 55 20.541 13.638 21.774 392 HB3 ARG 55 HB1 ARG 55 19.137 13.593 22.841 393 HG2 ARG 55 HG2 ARG 55 20.291 12.535 24.469 394 HG3 ARG 55 HG1 ARG 55 20.963 11.367 23.331 395 HD2 ARG 55 HD2 ARG 55 22.726 12.866 22.702 396 HD3 ARG 55 HD1 ARG 55 21.970 14.210 23.553 397 HE ARG 55 HE ARG 55 22.959 13.438 25.499 398 HH11 ARG 55 HH21 ARG 55 22.810 10.927 23.123 399 HH12 ARG 55 HH22 ARG 55 23.719 9.792 24.064 400 HH21 ARG 55 HH11 ARG 55 24.151 11.956 26.739 401 HH22 ARG 55 HH12 ARG 55 24.478 10.375 26.112 402 H LYS 56 HN LYS 56 19.606 13.026 19.326 403 HA LYS 56 HA LYS 56 17.100 14.306 19.089 404 HB2 LYS 56 HB2 LYS 56 19.067 13.496 16.935 405 HB3 LYS 56 HB1 LYS 56 17.727 14.622 16.717 406 HG2 LYS 56 HG2 LYS 56 19.521 15.192 19.009 407 HG3 LYS 56 HG1 LYS 56 20.232 15.408 17.408 408 HD2 LYS 56 HD2 LYS 56 18.491 16.945 16.761 409 HD3 LYS 56 HD1 LYS 56 17.569 16.599 18.224 410 HE2 LYS 56 HE2 LYS 56 19.178 17.675 19.614 411 HE3 LYS 56 HE1 LYS 56 20.372 17.728 18.316 412 HZ1 LYS 56 HZ1 LYS 56 19.391 19.876 18.540 413 HZ2 LYS 56 HZ2 LYS 56 17.819 19.235 18.456 414 HZ3 LYS 56 HZ3 LYS 56 18.830 19.196 17.091 415 H LYS 57 HN LYS 57 18.230 11.115 18.174 416 HA LYS 57 HA LYS 57 16.095 10.420 16.453 417 HB2 LYS 57 HB2 LYS 57 18.288 9.199 16.670 418 HB3 LYS 57 HB1 LYS 57 17.692 8.537 18.192 419 HG2 LYS 57 HG2 LYS 57 16.706 6.902 16.995 420 HG3 LYS 57 HG1 LYS 57 15.602 8.126 16.369 421 HD2 LYS 57 HD2 LYS 57 16.599 7.046 14.465 422 HD3 LYS 57 HD1 LYS 57 17.337 8.643 14.596 423 HE2 LYS 57 HE2 LYS 57 18.918 6.983 16.215 424 HE3 LYS 57 HE1 LYS 57 18.592 6.031 14.768 425 HZ1 LYS 57 HZ1 LYS 57 19.504 7.666 13.400 426 HZ2 LYS 57 HZ2 LYS 57 20.580 7.580 14.712 427 HZ3 LYS 57 HZ3 LYS 57 19.458 8.852 14.611 428 H GLY 58 HN GLY 58 14.452 11.530 17.931 429 HA2 GLY 58 HA2 GLY 58 13.615 10.135 20.302 430 HA3 GLY 58 HA1 GLY 58 12.746 11.435 19.493 431 H HIS 59 HN HIS 59 13.211 9.597 16.978 432 HA HIS 59 HA HIS 59 11.663 7.270 17.313 433 HB2 HIS 59 HB2 HIS 59 9.674 8.429 15.897 434 HB3 HIS 59 HB1 HIS 59 9.645 8.274 17.654 435 HD2 HIS 59 HD2 HIS 59 11.891 11.001 15.895 436 HE1 HIS 59 HE1 HIS 59 8.829 12.968 18.034 437 HE2 HIS 59 HE2 HIS 59 10.957 13.306 16.691 438 H HIS 60 HN HIS 60 10.956 9.572 14.754 439 HA HIS 60 HA HIS 60 12.099 7.738 12.798 440 HB2 HIS 60 HB2 HIS 60 10.196 10.008 12.758 441 HB3 HIS 60 HB1 HIS 60 11.198 9.813 11.319 442 HD2 HIS 60 HD2 HIS 60 7.857 8.633 12.274 443 HE1 HIS 60 HE1 HIS 60 9.515 5.272 10.328 444 HE2 HIS 60 HE2 HIS 60 7.361 6.316 11.175 445 H HIS 61 HN HIS 61 13.439 8.626 11.016 446 HA HIS 61 HA HIS 61 15.649 10.139 12.120 447 HB2 HIS 61 HB2 HIS 61 16.216 8.278 10.717 448 HB3 HIS 61 HB1 HIS 61 15.171 8.863 9.421 449 HD2 HIS 61 HD2 HIS 61 17.473 11.503 11.146 450 HE1 HIS 61 HE1 HIS 61 19.121 10.655 7.355 451 HE2 HIS 61 HE2 HIS 61 19.270 12.181 9.378 452 H HIS 62 HN HIS 62 13.406 10.524 9.373 453 HA HIS 62 HA HIS 62 14.310 13.089 8.604 454 HB2 HIS 62 HB2 HIS 62 12.370 13.192 7.227 455 HB3 HIS 62 HB1 HIS 62 12.849 11.495 7.262 456 HD2 HIS 62 HD2 HIS 62 10.868 9.789 8.196 457 HE1 HIS 62 HE1 HIS 62 8.294 12.726 9.799 458 HE2 HIS 62 HE2 HIS 62 8.552 10.247 9.313 459 H HIS 63 HN HIS 63 12.868 15.065 8.688 460 HA HIS 63 HA HIS 63 10.990 15.419 10.781 461 HB2 HIS 63 HB2 HIS 63 12.880 15.158 12.275 462 HB3 HIS 63 HB1 HIS 63 13.817 16.335 11.355 463 HD2 HIS 63 HD2 HIS 63 13.589 18.874 12.399 464 HE1 HIS 63 HE1 HIS 63 9.897 18.387 14.388 465 HE2 HIS 63 HE2 HIS 63 11.802 20.003 13.933 466 H HIS 64 HN HIS 64 10.333 16.244 8.544 467 HA HIS 64 HA HIS 64 11.363 18.481 7.299 468 HB2 HIS 64 HB2 HIS 64 8.438 17.807 7.695 469 HB3 HIS 64 HB1 HIS 64 9.085 18.901 6.472 470 HD2 HIS 64 HD2 HIS 64 8.462 17.196 4.292 471 HE1 HIS 64 HE1 HIS 64 10.921 13.987 5.506 472 HE2 HIS 64 HE2 HIS 64 9.493 14.895 3.613 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 62.126 4.221 -31.418 2 H2 MET 1 HT2 MET 1 62.339 3.043 -32.625 3 H3 MET 1 HT3 MET 1 63.668 3.578 -31.710 4 HA MET 1 HA MET 1 61.794 2.689 -29.878 5 HB2 MET 1 HB2 MET 1 62.209 0.784 -32.203 6 HB3 MET 1 HB1 MET 1 61.503 0.337 -30.650 7 HG2 MET 1 HG2 MET 1 59.542 1.483 -31.052 8 HG3 MET 1 HG1 MET 1 60.332 2.687 -32.071 9 HE1 MET 1 HE1 MET 1 57.400 0.535 -33.065 10 HE2 MET 1 HE2 MET 1 57.836 1.588 -34.408 11 HE3 MET 1 HE3 MET 1 57.967 2.182 -32.755 12 H GLU 2 HN GLU 2 62.768 0.745 -28.709 13 HA GLU 2 HA GLU 2 64.596 0.040 -27.484 14 HB2 GLU 2 HB2 GLU 2 65.827 -0.282 -30.228 15 HB3 GLU 2 HB1 GLU 2 66.191 -1.210 -28.772 16 HG2 GLU 2 HG2 GLU 2 63.416 -1.439 -29.088 17 HG3 GLU 2 HG1 GLU 2 64.070 -1.609 -30.716 18 H GLU 3 HN GLU 3 64.717 2.524 -27.021 19 HA GLU 3 HA GLU 3 66.700 4.139 -28.161 20 HB2 GLU 3 HB2 GLU 3 65.047 4.162 -25.760 21 HB3 GLU 3 HB1 GLU 3 66.644 4.857 -25.477 22 HG2 GLU 3 HG2 GLU 3 64.888 5.622 -27.822 23 HG3 GLU 3 HG1 GLU 3 64.910 6.507 -26.297 24 H GLY 4 HN GLY 4 68.791 4.747 -27.307 25 HA2 GLY 4 HA2 GLY 4 70.338 2.420 -26.511 26 HA3 GLY 4 HA1 GLY 4 70.975 4.002 -26.950 27 H GLY 5 HN GLY 5 68.588 4.697 -24.859 28 HA2 GLY 5 HA2 GLY 5 68.431 5.078 -22.579 29 HA3 GLY 5 HA1 GLY 5 69.831 4.036 -22.346 30 H ASP 6 HN ASP 6 68.705 7.253 -22.524 31 HA ASP 6 HA ASP 6 71.018 8.678 -23.205 32 HB2 ASP 6 HB2 ASP 6 68.492 9.382 -22.539 33 HB3 ASP 6 HB1 ASP 6 69.335 9.815 -21.052 34 H PHE 7 HN PHE 7 70.644 6.527 -20.717 35 HA PHE 7 HA PHE 7 73.052 7.503 -19.396 36 HB2 PHE 7 HB2 PHE 7 71.897 7.145 -17.129 37 HB3 PHE 7 HB1 PHE 7 71.510 8.627 -18.003 38 HD1 PHE 7 HD1 PHE 7 70.317 5.186 -17.246 39 HD2 PHE 7 HD2 PHE 7 69.302 9.058 -18.805 40 HE1 PHE 7 HE1 PHE 7 67.920 4.550 -17.266 41 HE2 PHE 7 HE2 PHE 7 66.905 8.422 -18.825 42 HZ PHE 7 HZ PHE 7 66.215 6.168 -18.056 43 H ASP 8 HN ASP 8 72.237 5.198 -21.047 44 HA ASP 8 HA ASP 8 71.799 2.850 -19.644 45 HB2 ASP 8 HB2 ASP 8 73.095 1.740 -21.491 46 HB3 ASP 8 HB1 ASP 8 71.823 2.826 -22.046 47 H ASN 9 HN ASN 9 72.821 2.600 -17.704 48 HA ASN 9 HA ASN 9 75.640 1.892 -17.805 49 HB2 ASN 9 HB2 ASN 9 74.600 4.247 -16.240 50 HB3 ASN 9 HB1 ASN 9 76.057 3.383 -15.752 51 HD21 ASN 9 HD21 ASN 9 74.975 5.950 -17.662 52 HD22 ASN 9 HD22 ASN 9 76.318 6.080 -18.691 53 H TYR 10 HN TYR 10 72.749 2.393 -15.812 54 HA TYR 10 HA TYR 10 73.607 0.199 -14.044 55 HB2 TYR 10 HB2 TYR 10 71.383 2.232 -13.738 56 HB3 TYR 10 HB1 TYR 10 71.788 0.984 -12.560 57 HD1 TYR 10 HD1 TYR 10 73.967 1.032 -11.371 58 HD2 TYR 10 HD2 TYR 10 72.755 4.199 -14.008 59 HE1 TYR 10 HE1 TYR 10 75.719 2.502 -10.412 60 HE2 TYR 10 HE2 TYR 10 74.507 5.668 -13.050 61 HH TYR 10 HH TYR 10 75.949 5.908 -11.302 62 H TYR 11 HN TYR 11 71.148 1.150 -16.350 63 HA TYR 11 HA TYR 11 69.605 -0.115 -17.500 64 HB2 TYR 11 HB2 TYR 11 71.592 -1.917 -16.944 65 HB3 TYR 11 HB1 TYR 11 70.195 -2.673 -16.176 66 HD1 TYR 11 HD2 TYR 11 71.280 -1.053 -19.371 67 HD2 TYR 11 HD1 TYR 11 68.617 -3.837 -17.472 68 HE1 TYR 11 HE2 TYR 11 70.443 -1.768 -21.594 69 HE2 TYR 11 HE1 TYR 11 67.781 -4.553 -19.693 70 HH TYR 11 HH TYR 11 68.688 -2.866 -22.629 71 H GLY 12 HN GLY 12 69.904 -1.757 -14.341 72 HA2 GLY 12 HA2 GLY 12 67.051 -1.901 -14.018 73 HA3 GLY 12 HA1 GLY 12 68.261 -2.375 -12.832 74 H ALA 13 HN ALA 13 68.228 0.795 -14.308 75 HA ALA 13 HA ALA 13 68.313 2.162 -11.846 76 HB1 ALA 13 HB1 ALA 13 68.549 4.042 -13.105 77 HB2 ALA 13 HB2 ALA 13 67.214 3.619 -14.178 78 HB3 ALA 13 HB3 ALA 13 68.798 2.877 -14.407 79 H ASP 14 HN ASP 14 66.378 4.257 -12.430 80 HA ASP 14 HA ASP 14 64.291 4.826 -11.631 81 HB2 ASP 14 HB2 ASP 14 63.964 3.631 -13.952 82 HB3 ASP 14 HB1 ASP 14 63.211 2.376 -12.970 83 H ASN 15 HN ASN 15 65.932 2.514 -10.290 84 HA ASN 15 HA ASN 15 63.752 1.261 -8.771 85 HB2 ASN 15 HB2 ASN 15 65.822 0.012 -9.765 86 HB3 ASN 15 HB1 ASN 15 66.669 0.671 -8.367 87 HD21 ASN 15 HD21 ASN 15 66.715 -0.852 -6.716 88 HD22 ASN 15 HD22 ASN 15 65.440 -1.901 -6.321 89 H GLN 16 HN GLN 16 66.136 3.728 -8.584 90 HA GLN 16 HA GLN 16 65.773 3.956 -5.666 91 HB2 GLN 16 HB2 GLN 16 67.801 5.646 -6.963 92 HB3 GLN 16 HB1 GLN 16 67.919 4.669 -5.501 93 HG2 GLN 16 HG2 GLN 16 69.378 3.612 -7.041 94 HG3 GLN 16 HG1 GLN 16 67.916 2.630 -7.074 95 HE21 GLN 16 HE21 GLN 16 69.607 2.548 -9.311 96 HE22 GLN 16 HE22 GLN 16 68.873 3.358 -10.609 97 H SER 17 HN SER 17 63.811 4.786 -7.604 98 HA SER 17 HA SER 17 63.610 7.601 -6.809 99 HB2 SER 17 HB2 SER 17 64.565 7.129 -9.269 100 HB3 SER 17 HB1 SER 17 62.843 6.999 -9.619 101 HG SER 17 HG SER 17 63.155 9.080 -8.037 102 H GLU 18 HN GLU 18 61.375 8.464 -7.481 103 HA GLU 18 HA GLU 18 59.386 6.909 -6.265 104 HB2 GLU 18 HB2 GLU 18 59.039 9.181 -8.238 105 HB3 GLU 18 HB1 GLU 18 57.806 8.574 -7.131 106 HG2 GLU 18 HG2 GLU 18 58.644 9.774 -5.420 107 HG3 GLU 18 HG1 GLU 18 60.271 9.164 -5.716 108 H CYS 19 HN CYS 19 59.718 4.840 -7.370 109 HA CYS 19 HA CYS 19 59.392 4.268 -10.036 110 HB2 CYS 19 HB2 CYS 19 58.342 2.095 -9.235 111 HB3 CYS 19 HB1 CYS 19 59.918 2.484 -8.547 112 HG CYS 19 HG CYS 19 58.613 3.392 -6.397 113 H GLU 20 HN GLU 20 56.728 4.176 -7.656 114 HA GLU 20 HA GLU 20 54.914 5.189 -9.746 115 HB2 GLU 20 HB2 GLU 20 53.833 3.107 -7.926 116 HB3 GLU 20 HB1 GLU 20 53.459 3.433 -9.619 117 HG2 GLU 20 HG2 GLU 20 55.733 2.529 -10.217 118 HG3 GLU 20 HG1 GLU 20 55.924 2.046 -8.534 119 H TYR 21 HN TYR 21 56.225 5.710 -6.835 120 HA TYR 21 HA TYR 21 53.861 6.433 -5.329 121 HB2 TYR 21 HB2 TYR 21 56.824 6.733 -4.868 122 HB3 TYR 21 HB1 TYR 21 55.640 7.481 -3.796 123 HD1 TYR 21 HD2 TYR 21 57.008 4.291 -5.039 124 HD2 TYR 21 HD1 TYR 21 54.179 6.134 -2.384 125 HE1 TYR 21 HE2 TYR 21 56.681 2.122 -3.883 126 HE2 TYR 21 HE1 TYR 21 53.853 3.965 -1.228 127 HH TYR 21 HH TYR 21 55.182 1.842 -0.895 128 H THR 22 HN THR 22 53.349 7.753 -7.475 129 HA THR 22 HA THR 22 53.382 10.489 -6.746 130 HB THR 22 HB THR 22 55.696 10.492 -7.429 131 HG1 THR 22 HG1 THR 22 55.075 11.600 -9.700 132 HG21 THR 22 HG21 THR 22 54.750 9.324 -10.059 133 HG22 THR 22 HG22 THR 22 55.550 8.399 -8.789 134 HG23 THR 22 HG23 THR 22 56.415 9.698 -9.612 135 H ASP 23 HN ASP 23 53.120 8.111 -9.342 136 HA ASP 23 HA ASP 23 51.349 9.723 -10.942 137 HB2 ASP 23 HB2 ASP 23 52.007 6.770 -11.046 138 HB3 ASP 23 HB1 ASP 23 51.057 7.634 -12.253 139 H TRP 24 HN TRP 24 50.086 10.030 -8.745 140 HA TRP 24 HA TRP 24 47.562 8.793 -9.083 141 HB2 TRP 24 HB2 TRP 24 47.468 7.538 -6.945 142 HB3 TRP 24 HB1 TRP 24 48.624 6.843 -8.080 143 HD1 TRP 24 HD1 TRP 24 51.153 6.899 -7.457 144 HE1 TRP 24 HE1 TRP 24 52.440 7.557 -5.321 145 HE3 TRP 24 HE3 TRP 24 47.424 9.236 -4.866 146 HZ2 TRP 24 HZ2 TRP 24 51.951 8.898 -2.842 147 HZ3 TRP 24 HZ3 TRP 24 47.862 10.193 -2.622 148 HH2 TRP 24 HH2 TRP 24 50.118 10.027 -1.608 149 H LYS 25 HN LYS 25 49.802 10.624 -7.121 150 HA LYS 25 HA LYS 25 48.367 11.684 -5.091 151 HB2 LYS 25 HB2 LYS 25 50.008 13.351 -7.012 152 HB3 LYS 25 HB1 LYS 25 49.642 13.737 -5.330 153 HG2 LYS 25 HG2 LYS 25 50.749 11.095 -5.431 154 HG3 LYS 25 HG1 LYS 25 51.807 12.180 -6.334 155 HD2 LYS 25 HD2 LYS 25 51.797 13.750 -4.398 156 HD3 LYS 25 HD1 LYS 25 50.831 12.585 -3.492 157 HE2 LYS 25 HE2 LYS 25 52.655 10.889 -3.869 158 HE3 LYS 25 HE1 LYS 25 53.635 12.181 -4.564 159 HZ1 LYS 25 HZ1 LYS 25 54.295 12.359 -2.425 160 HZ2 LYS 25 HZ2 LYS 25 52.851 11.723 -1.794 161 HZ3 LYS 25 HZ3 LYS 25 52.916 13.340 -2.312 162 H SER 26 HN SER 26 46.149 11.751 -5.479 163 HA SER 26 HA SER 26 44.216 12.967 -5.850 164 HB2 SER 26 HB2 SER 26 45.541 14.912 -7.671 165 HB3 SER 26 HB1 SER 26 44.329 15.183 -6.423 166 HG SER 26 HG SER 26 46.979 15.433 -6.268 167 H SER 27 HN SER 27 43.165 11.459 -7.052 168 HA SER 27 HA SER 27 43.824 11.145 -9.885 169 HB2 SER 27 HB2 SER 27 43.376 9.161 -8.411 170 HB3 SER 27 HB1 SER 27 41.711 9.714 -8.261 171 HG SER 27 HG SER 27 41.614 8.421 -9.983 172 H GLY 28 HN GLY 28 42.824 13.675 -9.257 173 HA2 GLY 28 HA2 GLY 28 41.055 14.318 -11.164 174 HA3 GLY 28 HA1 GLY 28 39.984 13.722 -9.899 175 H ALA 29 HN ALA 29 42.017 14.726 -7.868 176 HA ALA 29 HA ALA 29 42.540 16.672 -6.730 177 HB1 ALA 29 HB1 ALA 29 42.760 18.648 -7.870 178 HB2 ALA 29 HB2 ALA 29 41.241 18.438 -8.741 179 HB3 ALA 29 HB3 ALA 29 42.679 17.553 -9.251 180 H LEU 30 HN LEU 30 40.224 15.202 -6.223 181 HA LEU 30 HA LEU 30 38.446 17.339 -5.245 182 HB2 LEU 30 HB2 LEU 30 36.470 16.037 -5.829 183 HB3 LEU 30 HB1 LEU 30 37.428 16.345 -7.278 184 HG LEU 30 HG LEU 30 38.489 13.974 -6.262 185 HD11 LEU 30 HD11 LEU 30 36.428 13.943 -4.768 186 HD12 LEU 30 HD12 LEU 30 36.633 12.526 -5.797 187 HD13 LEU 30 HD13 LEU 30 35.468 13.774 -6.238 188 HD21 LEU 30 HD21 LEU 30 38.126 14.510 -8.629 189 HD22 LEU 30 HD22 LEU 30 36.380 14.421 -8.399 190 HD23 LEU 30 HD23 LEU 30 37.366 12.967 -8.242 191 H ILE 31 HN ILE 31 40.453 14.907 -4.468 192 HA ILE 31 HA ILE 31 38.882 13.561 -2.459 193 HB ILE 31 HB ILE 31 41.828 13.431 -2.269 194 HG12 ILE 31 HG12 ILE 31 40.291 12.714 -4.771 195 HG13 ILE 31 HG11 ILE 31 41.811 13.599 -4.636 196 HG21 ILE 31 HG21 ILE 31 39.850 11.201 -2.731 197 HG22 ILE 31 HG22 ILE 31 39.997 11.971 -1.150 198 HG23 ILE 31 HG23 ILE 31 41.385 11.150 -1.863 199 HD11 ILE 31 HD11 ILE 31 42.741 11.412 -3.591 200 HD12 ILE 31 HD12 ILE 31 42.494 11.457 -5.337 201 HD13 ILE 31 HD13 ILE 31 41.320 10.645 -4.301 202 HA PRO 32 HA PRO 32 41.721 16.429 0.328 203 HB2 PRO 32 HB2 PRO 32 41.646 18.883 -1.332 204 HB3 PRO 32 HB1 PRO 32 42.996 18.174 -0.428 205 HG2 PRO 32 HG2 PRO 32 42.878 18.082 -3.095 206 HG3 PRO 32 HG1 PRO 32 43.579 16.766 -2.137 207 HD2 PRO 32 HD2 PRO 32 40.914 16.896 -3.497 208 HD3 PRO 32 HD1 PRO 32 42.008 15.511 -3.290 209 H ALA 33 HN ALA 33 38.844 16.823 -1.358 210 HA ALA 33 HA ALA 33 37.798 18.889 0.454 211 HB1 ALA 33 HB1 ALA 33 37.312 19.241 -1.900 212 HB2 ALA 33 HB2 ALA 33 35.815 18.844 -1.056 213 HB3 ALA 33 HB3 ALA 33 36.628 17.621 -2.033 214 H ILE 34 HN ILE 34 36.096 16.146 -0.996 215 HA ILE 34 HA ILE 34 34.318 15.612 0.988 216 HB ILE 34 HB ILE 34 34.854 13.074 0.247 217 HG12 ILE 34 HG12 ILE 34 35.777 14.663 -2.143 218 HG13 ILE 34 HG11 ILE 34 36.940 14.091 -0.947 219 HG21 ILE 34 HG21 ILE 34 32.755 14.154 -0.213 220 HG22 ILE 34 HG22 ILE 34 33.379 13.575 -1.757 221 HG23 ILE 34 HG23 ILE 34 33.514 15.283 -1.335 222 HD11 ILE 34 HD11 ILE 34 36.212 11.787 -1.279 223 HD12 ILE 34 HD12 ILE 34 36.645 12.489 -2.838 224 HD13 ILE 34 HD13 ILE 34 34.948 12.317 -2.389 225 H TYR 35 HN TYR 35 37.730 14.788 0.956 226 HA TYR 35 HA TYR 35 37.607 13.104 3.289 227 HB2 TYR 35 HB2 TYR 35 39.373 12.825 1.599 228 HB3 TYR 35 HB1 TYR 35 39.977 14.443 1.962 229 HD1 TYR 35 HD1 TYR 35 41.107 14.929 4.077 230 HD2 TYR 35 HD2 TYR 35 39.654 10.987 3.185 231 HE1 TYR 35 HE1 TYR 35 42.448 14.011 5.950 232 HE2 TYR 35 HE2 TYR 35 40.995 10.069 5.058 233 HH TYR 35 HH TYR 35 42.791 12.197 7.247 234 H MET 36 HN MET 36 38.853 16.387 2.648 235 HA MET 36 HA MET 36 39.510 16.978 5.333 236 HB2 MET 36 HB2 MET 36 40.384 18.260 3.418 237 HB3 MET 36 HB1 MET 36 38.763 18.877 3.095 238 HG2 MET 36 HG2 MET 36 38.710 20.123 5.104 239 HG3 MET 36 HG1 MET 36 40.059 19.223 5.797 240 HE1 MET 36 HE1 MET 36 39.096 21.192 2.580 241 HE2 MET 36 HE2 MET 36 40.109 22.622 2.751 242 HE3 MET 36 HE3 MET 36 38.886 22.267 3.968 243 H LEU 37 HN LEU 37 36.507 16.970 3.604 244 HA LEU 37 HA LEU 37 35.095 18.700 5.421 245 HB2 LEU 37 HB2 LEU 37 34.297 16.879 3.167 246 HB3 LEU 37 HB1 LEU 37 33.074 17.576 4.231 247 HG LEU 37 HG LEU 37 35.165 19.390 3.093 248 HD11 LEU 37 HD11 LEU 37 32.923 18.074 1.580 249 HD12 LEU 37 HD12 LEU 37 34.571 18.413 1.050 250 HD13 LEU 37 HD13 LEU 37 33.400 19.726 1.184 251 HD21 LEU 37 HD21 LEU 37 33.157 19.858 4.775 252 HD22 LEU 37 HD22 LEU 37 32.227 19.950 3.279 253 HD23 LEU 37 HD23 LEU 37 33.591 21.038 3.538 254 H VAL 38 HN VAL 38 36.233 15.547 5.626 255 HA VAL 38 HA VAL 38 34.074 14.615 7.373 256 HB VAL 38 HB VAL 38 36.577 13.248 6.359 257 HG11 VAL 38 HG11 VAL 38 35.049 11.237 7.251 258 HG12 VAL 38 HG12 VAL 38 34.496 12.489 8.362 259 HG13 VAL 38 HG13 VAL 38 36.205 12.058 8.300 260 HG21 VAL 38 HG21 VAL 38 33.889 12.226 5.696 261 HG22 VAL 38 HG22 VAL 38 35.296 12.446 4.655 262 HG23 VAL 38 HG23 VAL 38 34.246 13.815 5.018 263 H PHE 39 HN PHE 39 36.913 16.365 7.624 264 HA PHE 39 HA PHE 39 38.031 15.329 10.017 265 HB2 PHE 39 HB2 PHE 39 39.494 16.751 8.924 266 HB3 PHE 39 HB1 PHE 39 38.229 17.911 8.519 267 HD1 PHE 39 HD1 PHE 39 40.415 16.647 11.229 268 HD2 PHE 39 HD2 PHE 39 37.569 19.644 10.062 269 HE1 PHE 39 HE1 PHE 39 40.983 17.973 13.246 270 HE2 PHE 39 HE2 PHE 39 38.137 20.970 12.080 271 HZ PHE 39 HZ PHE 39 39.845 20.134 13.672 272 H LEU 40 HN LEU 40 35.437 17.596 9.347 273 HA LEU 40 HA LEU 40 35.091 18.089 12.231 274 HB2 LEU 40 HB2 LEU 40 33.499 19.865 11.465 275 HB3 LEU 40 HB1 LEU 40 35.154 20.108 10.904 276 HG LEU 40 HG LEU 40 33.659 18.451 9.046 277 HD11 LEU 40 HD11 LEU 40 32.563 21.198 9.712 278 HD12 LEU 40 HD12 LEU 40 31.700 19.664 9.814 279 HD13 LEU 40 HD13 LEU 40 32.172 20.307 8.242 280 HD21 LEU 40 HD21 LEU 40 34.479 20.170 7.464 281 HD22 LEU 40 HD22 LEU 40 35.765 19.634 8.544 282 HD23 LEU 40 HD23 LEU 40 34.967 21.181 8.823 283 H LEU 41 HN LEU 41 34.022 16.030 9.855 284 HA LEU 41 HA LEU 41 31.550 15.464 11.361 285 HB2 LEU 41 HB2 LEU 41 31.848 15.779 8.377 286 HB3 LEU 41 HB1 LEU 41 30.523 14.860 9.093 287 HG LEU 41 HG LEU 41 30.962 17.496 10.334 288 HD11 LEU 41 HD11 LEU 41 29.996 17.280 7.465 289 HD12 LEU 41 HD12 LEU 41 31.482 18.068 7.995 290 HD13 LEU 41 HD13 LEU 41 29.916 18.733 8.462 291 HD21 LEU 41 HD21 LEU 41 28.477 16.326 9.062 292 HD22 LEU 41 HD22 LEU 41 28.574 17.508 10.367 293 HD23 LEU 41 HD23 LEU 41 29.036 15.832 10.660 294 H GLY 42 HN GLY 42 33.248 13.920 12.248 295 HA2 GLY 42 HA2 GLY 42 32.728 11.319 11.666 296 HA3 GLY 42 HA1 GLY 42 34.031 11.714 10.549 297 H THR 43 HN THR 43 34.963 13.723 12.681 298 HA THR 43 HA THR 43 36.249 11.780 14.502 299 HB THR 43 HB THR 43 37.445 13.986 12.858 300 HG1 THR 43 HG1 THR 43 38.312 12.287 12.028 301 HG21 THR 43 HG21 THR 43 39.491 13.628 14.416 302 HG22 THR 43 HG22 THR 43 38.306 13.053 15.589 303 HG23 THR 43 HG23 THR 43 38.203 14.700 14.966 304 H THR 44 HN THR 44 35.122 15.087 13.980 305 HA THR 44 HA THR 44 35.727 16.261 16.406 306 HB THR 44 HB THR 44 34.439 17.158 14.285 307 HG1 THR 44 HG1 THR 44 33.621 18.106 16.810 308 HG21 THR 44 HG21 THR 44 32.093 17.233 14.456 309 HG22 THR 44 HG22 THR 44 32.110 16.773 16.158 310 HG23 THR 44 HG23 THR 44 32.482 15.576 14.916 311 H GLY 45 HN GLY 45 33.829 13.532 15.879 312 HA2 GLY 45 HA2 GLY 45 31.715 13.514 17.560 313 HA3 GLY 45 HA1 GLY 45 32.817 12.145 17.444 314 H ASN 46 HN ASN 46 34.352 11.804 19.052 315 HA ASN 46 HA ASN 46 34.699 13.727 21.188 316 HB2 ASN 46 HB2 ASN 46 32.530 12.295 21.570 317 HB3 ASN 46 HB1 ASN 46 33.676 11.049 22.055 318 HD21 ASN 46 HD21 ASN 46 33.425 14.619 22.590 319 HD22 ASN 46 HD22 ASN 46 33.688 14.525 24.265 320 H GLY 47 HN GLY 47 35.336 11.266 22.919 321 HA2 GLY 47 HA2 GLY 47 37.163 9.950 23.409 322 HA3 GLY 47 HA1 GLY 47 37.477 9.867 21.679 323 H LEU 48 HN LEU 48 37.326 13.041 22.142 324 HA LEU 48 HA LEU 48 40.230 13.299 22.343 325 HB2 LEU 48 HB2 LEU 48 37.992 15.047 21.395 326 HB3 LEU 48 HB1 LEU 48 39.513 15.796 21.885 327 HG LEU 48 HG LEU 48 39.647 13.423 20.073 328 HD11 LEU 48 HD11 LEU 48 38.771 16.205 19.254 329 HD12 LEU 48 HD12 LEU 48 37.927 14.685 18.961 330 HD13 LEU 48 HD13 LEU 48 39.439 15.030 18.121 331 HD21 LEU 48 HD21 LEU 48 41.159 16.053 20.210 332 HD22 LEU 48 HD22 LEU 48 41.590 14.659 19.220 333 HD23 LEU 48 HD23 LEU 48 41.673 14.552 20.979 334 H VAL 49 HN VAL 49 37.728 13.224 24.477 335 HA VAL 49 HA VAL 49 38.802 15.329 26.227 336 HB VAL 49 HB VAL 49 36.276 13.672 26.378 337 HG11 VAL 49 HG11 VAL 49 37.610 15.526 28.322 338 HG12 VAL 49 HG12 VAL 49 36.725 14.032 28.632 339 HG13 VAL 49 HG13 VAL 49 35.849 15.509 28.231 340 HG21 VAL 49 HG21 VAL 49 36.905 15.982 24.934 341 HG22 VAL 49 HG22 VAL 49 36.064 16.581 26.364 342 HG23 VAL 49 HG23 VAL 49 35.283 15.400 25.312 343 H LEU 50 HN LEU 50 39.325 12.132 25.611 344 HA LEU 50 HA LEU 50 40.364 11.698 28.333 345 HB2 LEU 50 HB2 LEU 50 39.654 9.222 27.933 346 HB3 LEU 50 HB1 LEU 50 38.442 10.379 28.483 347 HG LEU 50 HG LEU 50 38.799 10.179 25.545 348 HD11 LEU 50 HD11 LEU 50 37.367 8.144 25.444 349 HD12 LEU 50 HD12 LEU 50 37.523 7.974 27.192 350 HD13 LEU 50 HD13 LEU 50 38.945 7.814 26.159 351 HD21 LEU 50 HD21 LEU 50 36.499 10.686 25.539 352 HD22 LEU 50 HD22 LEU 50 37.088 11.546 26.961 353 HD23 LEU 50 HD23 LEU 50 36.251 10.005 27.147 354 H TRP 51 HN TRP 51 41.064 12.012 25.183 355 HA TRP 51 HA TRP 51 43.096 9.880 25.117 356 HB2 TRP 51 HB2 TRP 51 41.864 9.863 23.106 357 HB3 TRP 51 HB1 TRP 51 41.855 11.623 22.995 358 HD1 TRP 51 HD1 TRP 51 44.990 9.561 23.769 359 HE1 TRP 51 HE1 TRP 51 46.697 9.914 21.869 360 HE3 TRP 51 HE3 TRP 51 42.147 12.298 20.527 361 HZ2 TRP 51 HZ2 TRP 51 46.837 11.189 19.312 362 HZ3 TRP 51 HZ3 TRP 51 43.092 13.067 18.369 363 HH2 TRP 51 HH2 TRP 51 45.431 12.516 17.759 364 H THR 52 HN THR 52 43.135 13.099 23.638 365 HA THR 52 HA THR 52 45.898 13.487 24.194 366 HB THR 52 HB THR 52 44.855 14.572 22.284 367 HG1 THR 52 HG1 THR 52 45.580 16.697 22.725 368 HG21 THR 52 HG21 THR 52 42.612 14.828 23.424 369 HG22 THR 52 HG22 THR 52 43.140 16.244 22.516 370 HG23 THR 52 HG23 THR 52 43.280 16.221 24.275 371 H VAL 53 HN VAL 53 42.923 14.472 25.791 372 HA VAL 53 HA VAL 53 44.127 16.323 27.598 373 HB VAL 53 HB VAL 53 41.519 14.795 27.726 374 HG11 VAL 53 HG11 VAL 53 40.969 16.657 29.409 375 HG12 VAL 53 HG12 VAL 53 42.709 16.928 29.507 376 HG13 VAL 53 HG13 VAL 53 42.031 15.370 29.978 377 HG21 VAL 53 HG21 VAL 53 42.290 17.610 26.903 378 HG22 VAL 53 HG22 VAL 53 40.624 17.099 27.178 379 HG23 VAL 53 HG23 VAL 53 41.570 16.360 25.887 380 H PHE 54 HN PHE 54 43.568 12.859 27.632 381 HA PHE 54 HA PHE 54 44.179 12.510 30.417 382 HB2 PHE 54 HB2 PHE 54 42.793 10.908 29.110 383 HB3 PHE 54 HB1 PHE 54 44.228 10.465 28.186 384 HD1 PHE 54 HD2 PHE 54 42.958 10.716 31.700 385 HD2 PHE 54 HD1 PHE 54 45.670 8.791 28.981 386 HE1 PHE 54 HE2 PHE 54 43.619 9.126 33.484 387 HE2 PHE 54 HE1 PHE 54 46.329 7.200 30.765 388 HZ PHE 54 HZ PHE 54 45.303 7.367 33.017 389 H ARG 55 HN ARG 55 46.118 13.920 28.545 390 HA ARG 55 HA ARG 55 48.511 12.769 29.669 391 HB2 ARG 55 HB2 ARG 55 49.613 12.424 27.446 392 HB3 ARG 55 HB1 ARG 55 48.311 11.280 27.775 393 HG2 ARG 55 HG2 ARG 55 46.758 12.772 26.483 394 HG3 ARG 55 HG1 ARG 55 48.150 13.762 26.044 395 HD2 ARG 55 HD2 ARG 55 48.868 11.076 25.504 396 HD3 ARG 55 HD1 ARG 55 47.246 11.300 24.856 397 HE ARG 55 HE ARG 55 48.562 13.504 23.965 398 HH11 ARG 55 HH21 ARG 55 49.237 10.110 23.941 399 HH12 ARG 55 HH22 ARG 55 50.141 10.160 22.465 400 HH21 ARG 55 HH11 ARG 55 49.746 13.578 22.028 401 HH22 ARG 55 HH12 ARG 55 50.430 12.124 21.381 402 H LYS 56 HN LYS 56 46.723 15.256 28.273 403 HA LYS 56 HA LYS 56 48.736 16.995 27.329 404 HB2 LYS 56 HB2 LYS 56 46.220 17.203 27.003 405 HB3 LYS 56 HB1 LYS 56 46.157 17.860 28.638 406 HG2 LYS 56 HG2 LYS 56 46.479 19.843 27.547 407 HG3 LYS 56 HG1 LYS 56 48.172 19.352 27.622 408 HD2 LYS 56 HD2 LYS 56 47.947 18.290 25.392 409 HD3 LYS 56 HD1 LYS 56 46.275 18.843 25.312 410 HE2 LYS 56 HE2 LYS 56 47.058 20.748 24.394 411 HE3 LYS 56 HE1 LYS 56 47.728 21.136 25.979 412 HZ1 LYS 56 HZ1 LYS 56 49.690 21.075 24.958 413 HZ2 LYS 56 HZ2 LYS 56 49.065 20.294 23.584 414 HZ3 LYS 56 HZ3 LYS 56 49.523 19.387 24.947 415 H LYS 57 HN LYS 57 47.422 16.392 30.541 416 HA LYS 57 HA LYS 57 48.451 18.583 31.924 417 HB2 LYS 57 HB2 LYS 57 48.261 17.235 33.921 418 HB3 LYS 57 HB1 LYS 57 46.902 16.855 32.862 419 HG2 LYS 57 HG2 LYS 57 47.523 14.691 33.123 420 HG3 LYS 57 HG1 LYS 57 48.836 15.075 32.011 421 HD2 LYS 57 HD2 LYS 57 49.905 14.113 33.903 422 HD3 LYS 57 HD1 LYS 57 50.146 15.850 34.083 423 HE2 LYS 57 HE2 LYS 57 47.711 15.447 35.332 424 HE3 LYS 57 HE1 LYS 57 48.617 13.996 35.766 425 HZ1 LYS 57 HZ1 LYS 57 50.336 15.280 36.691 426 HZ2 LYS 57 HZ2 LYS 57 48.897 15.969 37.275 427 HZ3 LYS 57 HZ3 LYS 57 49.751 16.721 36.013 428 H GLY 58 HN GLY 58 50.154 16.303 30.189 429 HA2 GLY 58 HA2 GLY 58 52.515 16.471 29.877 430 HA3 GLY 58 HA1 GLY 58 52.661 17.072 31.526 431 H HIS 59 HN HIS 59 51.061 14.199 30.150 432 HA HIS 59 HA HIS 59 51.187 11.977 30.709 433 HB2 HIS 59 HB2 HIS 59 54.027 12.912 30.962 434 HB3 HIS 59 HB1 HIS 59 53.601 11.263 31.421 435 HD2 HIS 59 HD2 HIS 59 51.739 12.835 28.358 436 HE1 HIS 59 HE1 HIS 59 54.464 9.968 26.882 437 HE2 HIS 59 HE2 HIS 59 52.548 11.514 26.256 438 H HIS 60 HN HIS 60 53.601 13.065 33.056 439 HA HIS 60 HA HIS 60 51.891 11.992 35.204 440 HB2 HIS 60 HB2 HIS 60 54.866 12.507 35.054 441 HB3 HIS 60 HB1 HIS 60 54.032 12.030 36.532 442 HD2 HIS 60 HD2 HIS 60 52.538 9.443 36.127 443 HE1 HIS 60 HE1 HIS 60 55.320 8.141 33.230 444 HE2 HIS 60 HE2 HIS 60 53.433 7.404 34.762 445 H HIS 61 HN HIS 61 54.510 14.124 35.930 446 HA HIS 61 HA HIS 61 52.805 16.469 36.210 447 HB2 HIS 61 HB2 HIS 61 53.398 14.699 38.434 448 HB3 HIS 61 HB1 HIS 61 54.019 16.325 38.720 449 HD2 HIS 61 HD2 HIS 61 51.679 18.196 37.550 450 HE1 HIS 61 HE1 HIS 61 48.981 15.828 39.773 451 HE2 HIS 61 HE2 HIS 61 49.274 18.037 38.555 452 H HIS 62 HN HIS 62 53.946 18.335 36.070 453 HA HIS 62 HA HIS 62 56.798 18.110 35.520 454 HB2 HIS 62 HB2 HIS 62 54.876 20.442 35.359 455 HB3 HIS 62 HB1 HIS 62 56.579 20.524 34.912 456 HD2 HIS 62 HD2 HIS 62 53.965 20.666 32.672 457 HE1 HIS 62 HE1 HIS 62 55.712 17.071 31.315 458 HE2 HIS 62 HE2 HIS 62 54.113 18.948 30.711 459 H HIS 63 HN HIS 63 57.841 20.463 36.319 460 HA HIS 63 HA HIS 63 57.249 21.205 39.000 461 HB2 HIS 63 HB2 HIS 63 59.411 20.258 39.967 462 HB3 HIS 63 HB1 HIS 63 58.112 19.098 39.687 463 HD2 HIS 63 HD2 HIS 63 58.631 17.198 37.652 464 HE1 HIS 63 HE1 HIS 63 62.530 18.541 36.747 465 HE2 HIS 63 HE2 HIS 63 60.831 16.699 36.337 466 H HIS 64 HN HIS 64 57.626 22.730 36.793 467 HA HIS 64 HA HIS 64 60.299 23.614 36.389 468 HB2 HIS 64 HB2 HIS 64 58.501 24.010 34.750 469 HB3 HIS 64 HB1 HIS 64 57.696 25.081 35.899 470 HD2 HIS 64 HD2 HIS 64 61.180 25.018 33.968 471 HE1 HIS 64 HE1 HIS 64 60.197 29.010 34.930 472 HE2 HIS 64 HE2 HIS 64 61.872 27.525 33.730 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 14.795 8.004 -9.693 2 H2 MET 1 HT2 MET 1 13.399 7.165 -10.173 3 H3 MET 1 HT3 MET 1 14.155 6.790 -8.698 4 HA MET 1 HA MET 1 12.219 8.804 -9.290 5 HB2 MET 1 HB2 MET 1 12.333 6.955 -7.461 6 HB3 MET 1 HB1 MET 1 13.368 8.092 -6.596 7 HG2 MET 1 HG2 MET 1 11.397 9.783 -7.243 8 HG3 MET 1 HG1 MET 1 10.461 8.287 -7.243 9 HE1 MET 1 HE1 MET 1 10.591 6.912 -3.764 10 HE2 MET 1 HE2 MET 1 11.375 6.411 -5.259 11 HE3 MET 1 HE3 MET 1 9.722 7.016 -5.301 12 H GLU 2 HN GLU 2 12.742 10.858 -9.710 13 HA GLU 2 HA GLU 2 14.701 12.200 -7.989 14 HB2 GLU 2 HB2 GLU 2 14.806 12.263 -11.015 15 HB3 GLU 2 HB1 GLU 2 15.779 13.269 -9.942 16 HG2 GLU 2 HG2 GLU 2 16.572 11.076 -8.868 17 HG3 GLU 2 HG1 GLU 2 15.865 10.267 -10.266 18 H GLU 3 HN GLU 3 12.536 12.943 -7.211 19 HA GLU 3 HA GLU 3 10.762 14.475 -8.737 20 HB2 GLU 3 HB2 GLU 3 11.462 14.422 -5.814 21 HB3 GLU 3 HB1 GLU 3 10.320 15.613 -6.440 22 HG2 GLU 3 HG2 GLU 3 8.928 13.827 -7.373 23 HG3 GLU 3 HG1 GLU 3 10.086 12.615 -6.829 24 H GLY 4 HN GLY 4 10.929 16.408 -9.672 25 HA2 GLY 4 HA2 GLY 4 12.765 18.414 -8.565 26 HA3 GLY 4 HA1 GLY 4 12.991 17.927 -10.242 27 H GLY 5 HN GLY 5 10.381 17.652 -11.097 28 HA2 GLY 5 HA2 GLY 5 8.366 19.304 -10.624 29 HA3 GLY 5 HA1 GLY 5 9.553 20.455 -11.228 30 H ASP 6 HN ASP 6 7.025 18.512 -12.112 31 HA ASP 6 HA ASP 6 7.888 17.574 -14.658 32 HB2 ASP 6 HB2 ASP 6 5.851 16.840 -13.203 33 HB3 ASP 6 HB1 ASP 6 5.020 18.167 -14.014 34 H PHE 7 HN PHE 7 7.970 20.585 -13.775 35 HA PHE 7 HA PHE 7 7.235 21.588 -16.430 36 HB2 PHE 7 HB2 PHE 7 5.998 22.413 -13.847 37 HB3 PHE 7 HB1 PHE 7 6.335 23.671 -15.037 38 HD1 PHE 7 HD2 PHE 7 4.596 20.421 -14.516 39 HD2 PHE 7 HD1 PHE 7 5.018 23.892 -17.011 40 HE1 PHE 7 HE2 PHE 7 2.589 19.738 -15.805 41 HE2 PHE 7 HE1 PHE 7 3.012 23.210 -18.300 42 HZ PHE 7 HZ PHE 7 1.798 21.133 -17.697 43 H ASP 8 HN ASP 8 9.513 21.224 -14.166 44 HA ASP 8 HA ASP 8 10.696 23.671 -13.660 45 HB2 ASP 8 HB2 ASP 8 12.778 22.481 -13.396 46 HB3 ASP 8 HB1 ASP 8 11.476 21.450 -12.802 47 H ASN 9 HN ASN 9 11.602 25.208 -14.872 48 HA ASN 9 HA ASN 9 11.865 24.771 -17.745 49 HB2 ASN 9 HB2 ASN 9 11.413 27.041 -15.996 50 HB3 ASN 9 HB1 ASN 9 12.712 27.364 -17.144 51 HD21 ASN 9 HD21 ASN 9 11.991 26.227 -19.477 52 HD22 ASN 9 HD22 ASN 9 10.458 26.741 -19.992 53 H TYR 10 HN TYR 10 13.760 23.843 -15.426 54 HA TYR 10 HA TYR 10 16.010 23.423 -15.226 55 HB2 TYR 10 HB2 TYR 10 16.386 24.539 -17.997 56 HB3 TYR 10 HB1 TYR 10 17.291 23.255 -17.193 57 HD1 TYR 10 HD2 TYR 10 16.052 21.085 -16.611 58 HD2 TYR 10 HD1 TYR 10 14.493 24.034 -19.317 59 HE1 TYR 10 HE2 TYR 10 14.505 19.396 -17.561 60 HE2 TYR 10 HE1 TYR 10 12.946 22.345 -20.267 61 HH TYR 10 HH TYR 10 11.890 20.215 -19.557 62 H TYR 11 HN TYR 11 16.048 26.268 -17.373 63 HA TYR 11 HA TYR 11 16.846 28.402 -17.053 64 HB2 TYR 11 HB2 TYR 11 15.573 27.933 -14.748 65 HB3 TYR 11 HB1 TYR 11 17.222 28.020 -14.125 66 HD1 TYR 11 HD1 TYR 11 14.556 29.867 -15.898 67 HD2 TYR 11 HD2 TYR 11 18.490 30.084 -14.187 68 HE1 TYR 11 HE1 TYR 11 14.489 32.341 -16.058 69 HE2 TYR 11 HE2 TYR 11 18.423 32.558 -14.347 70 HH TYR 11 HH TYR 11 17.261 34.284 -15.639 71 H GLY 12 HN GLY 12 18.857 29.351 -17.083 72 HA2 GLY 12 HA2 GLY 12 21.153 29.280 -17.385 73 HA3 GLY 12 HA1 GLY 12 21.128 28.822 -15.685 74 H ALA 13 HN ALA 13 19.850 26.940 -18.389 75 HA ALA 13 HA ALA 13 21.268 24.593 -17.532 76 HB1 ALA 13 HB1 ALA 13 20.092 23.454 -19.243 77 HB2 ALA 13 HB2 ALA 13 19.847 24.934 -20.170 78 HB3 ALA 13 HB3 ALA 13 18.970 24.684 -18.660 79 H ASP 14 HN ASP 14 21.380 26.583 -20.494 80 HA ASP 14 HA ASP 14 23.451 25.324 -21.817 81 HB2 ASP 14 HB2 ASP 14 23.441 27.131 -23.198 82 HB3 ASP 14 HB1 ASP 14 21.990 27.551 -22.291 83 H ASN 15 HN ASN 15 23.567 27.157 -18.899 84 HA ASN 15 HA ASN 15 26.307 27.928 -18.980 85 HB2 ASN 15 HB2 ASN 15 24.103 28.087 -17.124 86 HB3 ASN 15 HB1 ASN 15 25.566 27.566 -16.290 87 HD21 ASN 15 HD21 ASN 15 24.792 29.948 -18.903 88 HD22 ASN 15 HD22 ASN 15 25.721 31.197 -18.226 89 H GLN 16 HN GLN 16 24.627 25.221 -17.376 90 HA GLN 16 HA GLN 16 27.222 23.939 -16.876 91 HB2 GLN 16 HB2 GLN 16 24.613 22.772 -15.989 92 HB3 GLN 16 HB1 GLN 16 26.191 22.713 -15.203 93 HG2 GLN 16 HG2 GLN 16 25.962 25.244 -14.886 94 HG3 GLN 16 HG1 GLN 16 24.271 25.044 -15.343 95 HE21 GLN 16 HE21 GLN 16 26.395 22.954 -13.311 96 HE22 GLN 16 HE22 GLN 16 25.382 23.004 -11.950 97 H SER 17 HN SER 17 26.481 24.048 -19.559 98 HA SER 17 HA SER 17 25.367 21.417 -20.216 99 HB2 SER 17 HB2 SER 17 25.687 23.987 -21.613 100 HB3 SER 17 HB1 SER 17 26.023 22.573 -22.608 101 HG SER 17 HG SER 17 23.908 22.574 -22.757 102 H GLU 18 HN GLU 18 26.957 19.942 -19.743 103 HA GLU 18 HA GLU 18 29.005 18.869 -19.835 104 HB2 GLU 18 HB2 GLU 18 27.819 18.803 -22.234 105 HB3 GLU 18 HB1 GLU 18 29.277 19.687 -22.683 106 HG2 GLU 18 HG2 GLU 18 29.083 16.948 -21.420 107 HG3 GLU 18 HG1 GLU 18 29.814 17.379 -22.965 108 H CYS 19 HN CYS 19 29.290 21.475 -18.860 109 HA CYS 19 HA CYS 19 31.483 22.758 -20.264 110 HB2 CYS 19 HB2 CYS 19 31.432 24.333 -18.333 111 HB3 CYS 19 HB1 CYS 19 29.867 24.169 -19.130 112 HG CYS 19 HG CYS 19 30.475 22.513 -16.550 113 H GLU 20 HN GLU 20 32.573 20.474 -19.991 114 HA GLU 20 HA GLU 20 34.135 19.129 -18.938 115 HB2 GLU 20 HB2 GLU 20 35.224 21.803 -18.044 116 HB3 GLU 20 HB1 GLU 20 36.131 20.317 -18.332 117 HG2 GLU 20 HG2 GLU 20 35.308 20.415 -20.734 118 HG3 GLU 20 HG1 GLU 20 34.713 22.036 -20.379 119 H TYR 21 HN TYR 21 31.956 19.041 -17.397 120 HA TYR 21 HA TYR 21 33.086 19.013 -14.690 121 HB2 TYR 21 HB2 TYR 21 31.380 20.252 -13.700 122 HB3 TYR 21 HB1 TYR 21 31.654 21.139 -15.200 123 HD1 TYR 21 HD1 TYR 21 30.213 20.467 -17.252 124 HD2 TYR 21 HD2 TYR 21 29.244 19.404 -13.204 125 HE1 TYR 21 HE1 TYR 21 27.860 20.068 -17.920 126 HE2 TYR 21 HE2 TYR 21 26.888 19.004 -13.874 127 HH TYR 21 HH TYR 21 25.667 18.406 -16.022 128 H THR 22 HN THR 22 32.322 17.041 -16.819 129 HA THR 22 HA THR 22 30.724 15.305 -15.076 130 HB THR 22 HB THR 22 29.063 14.839 -16.627 131 HG1 THR 22 HG1 THR 22 29.561 14.593 -18.637 132 HG21 THR 22 HG21 THR 22 28.194 16.956 -17.426 133 HG22 THR 22 HG22 THR 22 29.797 17.687 -17.349 134 HG23 THR 22 HG23 THR 22 28.966 17.226 -15.864 135 H ASP 23 HN ASP 23 32.740 15.692 -17.947 136 HA ASP 23 HA ASP 23 33.381 12.825 -17.922 137 HB2 ASP 23 HB2 ASP 23 34.184 14.983 -19.887 138 HB3 ASP 23 HB1 ASP 23 34.476 13.255 -20.067 139 H TRP 24 HN TRP 24 34.298 14.590 -15.790 140 HA TRP 24 HA TRP 24 37.027 13.776 -15.701 141 HB2 TRP 24 HB2 TRP 24 38.193 15.699 -16.137 142 HB3 TRP 24 HB1 TRP 24 36.822 15.980 -17.209 143 HD1 TRP 24 HD1 TRP 24 34.660 17.267 -15.849 144 HE1 TRP 24 HE1 TRP 24 34.833 19.345 -14.332 145 HE3 TRP 24 HE3 TRP 24 39.619 17.072 -14.647 146 HZ2 TRP 24 HZ2 TRP 24 36.813 20.739 -12.810 147 HZ3 TRP 24 HZ3 TRP 24 40.622 18.785 -13.163 148 HH2 TRP 24 HH2 TRP 24 39.226 20.617 -12.245 149 H LYS 25 HN LYS 25 34.434 15.799 -14.468 150 HA LYS 25 HA LYS 25 33.772 16.322 -12.339 151 HB2 LYS 25 HB2 LYS 25 34.811 13.659 -12.235 152 HB3 LYS 25 HB1 LYS 25 35.279 14.498 -10.757 153 HG2 LYS 25 HG2 LYS 25 33.104 13.482 -10.408 154 HG3 LYS 25 HG1 LYS 25 32.894 15.230 -10.487 155 HD2 LYS 25 HD2 LYS 25 32.708 14.338 -13.151 156 HD3 LYS 25 HD1 LYS 25 31.774 13.180 -12.202 157 HE2 LYS 25 HE2 LYS 25 31.429 16.187 -12.287 158 HE3 LYS 25 HE1 LYS 25 30.271 14.959 -12.800 159 HZ1 LYS 25 HZ1 LYS 25 31.197 14.732 -10.064 160 HZ2 LYS 25 HZ2 LYS 25 29.631 14.560 -10.702 161 HZ3 LYS 25 HZ3 LYS 25 30.260 16.108 -10.391 162 H SER 26 HN SER 26 37.063 15.146 -11.649 163 HA SER 26 HA SER 26 38.248 17.711 -11.431 164 HB2 SER 26 HB2 SER 26 38.390 17.003 -8.719 165 HB3 SER 26 HB1 SER 26 37.532 18.375 -9.415 166 HG SER 26 HG SER 26 36.493 16.318 -8.190 167 H SER 27 HN SER 27 38.502 14.917 -9.241 168 HA SER 27 HA SER 27 40.155 13.334 -8.982 169 HB2 SER 27 HB2 SER 27 40.033 13.634 -11.689 170 HB3 SER 27 HB1 SER 27 41.702 14.100 -11.374 171 HG SER 27 HG SER 27 40.563 11.658 -11.329 172 H GLY 28 HN GLY 28 40.690 16.647 -9.364 173 HA2 GLY 28 HA2 GLY 28 43.081 16.497 -7.682 174 HA3 GLY 28 HA1 GLY 28 43.245 17.329 -9.226 175 H ALA 29 HN ALA 29 40.127 17.560 -7.905 176 HA ALA 29 HA ALA 29 40.593 19.874 -6.246 177 HB1 ALA 29 HB1 ALA 29 40.783 21.106 -8.242 178 HB2 ALA 29 HB2 ALA 29 39.092 21.306 -7.787 179 HB3 ALA 29 HB3 ALA 29 39.535 20.159 -9.051 180 H LEU 30 HN LEU 30 39.444 17.723 -5.345 181 HA LEU 30 HA LEU 30 36.824 18.517 -4.618 182 HB2 LEU 30 HB2 LEU 30 36.355 17.691 -6.936 183 HB3 LEU 30 HB1 LEU 30 36.956 16.109 -6.449 184 HG LEU 30 HG LEU 30 35.221 16.030 -4.658 185 HD11 LEU 30 HD11 LEU 30 33.289 17.786 -5.244 186 HD12 LEU 30 HD12 LEU 30 34.671 18.759 -5.745 187 HD13 LEU 30 HD13 LEU 30 34.565 18.167 -4.088 188 HD21 LEU 30 HD21 LEU 30 34.616 16.207 -7.569 189 HD22 LEU 30 HD22 LEU 30 33.236 16.160 -6.472 190 HD23 LEU 30 HD23 LEU 30 34.418 14.851 -6.459 191 H ILE 31 HN ILE 31 39.314 16.092 -4.809 192 HA ILE 31 HA ILE 31 38.253 14.341 -2.825 193 HB ILE 31 HB ILE 31 41.187 14.410 -3.164 194 HG12 ILE 31 HG12 ILE 31 39.264 14.102 -5.476 195 HG13 ILE 31 HG11 ILE 31 40.759 15.038 -5.409 196 HG21 ILE 31 HG21 ILE 31 39.649 12.615 -2.093 197 HG22 ILE 31 HG22 ILE 31 40.925 12.068 -3.179 198 HG23 ILE 31 HG23 ILE 31 39.260 12.168 -3.754 199 HD11 ILE 31 HD11 ILE 31 40.388 12.083 -5.730 200 HD12 ILE 31 HD12 ILE 31 41.855 12.685 -4.956 201 HD13 ILE 31 HD13 ILE 31 41.460 13.177 -6.603 202 HA PRO 32 HA PRO 32 41.434 16.816 -0.028 203 HB2 PRO 32 HB2 PRO 32 40.938 19.537 -1.099 204 HB3 PRO 32 HB1 PRO 32 42.463 18.779 -0.603 205 HG2 PRO 32 HG2 PRO 32 41.867 19.204 -3.172 206 HG3 PRO 32 HG1 PRO 32 42.789 17.787 -2.641 207 HD2 PRO 32 HD2 PRO 32 39.918 17.963 -3.476 208 HD3 PRO 32 HD1 PRO 32 41.094 16.658 -3.747 209 H ALA 33 HN ALA 33 38.277 17.197 -1.016 210 HA ALA 33 HA ALA 33 37.494 18.794 1.333 211 HB1 ALA 33 HB1 ALA 33 35.379 19.126 0.242 212 HB2 ALA 33 HB2 ALA 33 35.755 17.907 -0.976 213 HB3 ALA 33 HB3 ALA 33 36.640 19.432 -0.951 214 H ILE 34 HN ILE 34 36.325 15.914 -0.433 215 HA ILE 34 HA ILE 34 34.689 14.913 1.602 216 HB ILE 34 HB ILE 34 36.102 13.650 -0.728 217 HG12 ILE 34 HG12 ILE 34 33.772 13.315 -1.473 218 HG13 ILE 34 HG11 ILE 34 33.187 14.001 0.043 219 HG21 ILE 34 HG21 ILE 34 34.663 12.298 1.547 220 HG22 ILE 34 HG22 ILE 34 36.163 11.823 0.750 221 HG23 ILE 34 HG23 ILE 34 34.619 11.607 -0.075 222 HD11 ILE 34 HD11 ILE 34 35.053 15.529 -1.776 223 HD12 ILE 34 HD12 ILE 34 34.038 16.156 -0.477 224 HD13 ILE 34 HD13 ILE 34 33.302 15.591 -1.976 225 H TYR 35 HN TYR 35 38.018 13.921 0.767 226 HA TYR 35 HA TYR 35 38.377 12.169 2.935 227 HB2 TYR 35 HB2 TYR 35 40.183 11.795 1.654 228 HB3 TYR 35 HB1 TYR 35 40.023 13.362 0.860 229 HD1 TYR 35 HD2 TYR 35 41.100 15.371 1.795 230 HD2 TYR 35 HD1 TYR 35 41.605 11.507 3.601 231 HE1 TYR 35 HE2 TYR 35 43.017 16.236 3.109 232 HE2 TYR 35 HE1 TYR 35 43.522 12.371 4.915 233 HH TYR 35 HH TYR 35 45.106 14.135 4.911 234 H MET 36 HN MET 36 38.756 15.648 2.650 235 HA MET 36 HA MET 36 40.108 15.988 5.159 236 HB2 MET 36 HB2 MET 36 40.404 17.694 3.504 237 HB3 MET 36 HB1 MET 36 38.661 17.909 3.327 238 HG2 MET 36 HG2 MET 36 38.452 18.939 5.440 239 HG3 MET 36 HG1 MET 36 40.012 18.326 5.991 240 HE1 MET 36 HE1 MET 36 38.252 20.522 3.296 241 HE2 MET 36 HE2 MET 36 39.026 22.065 3.646 242 HE3 MET 36 HE3 MET 36 38.122 21.236 4.909 243 H LEU 37 HN LEU 37 36.762 15.985 4.084 244 HA LEU 37 HA LEU 37 35.579 17.116 6.379 245 HB2 LEU 37 HB2 LEU 37 34.616 15.305 4.191 246 HB3 LEU 37 HB1 LEU 37 33.583 15.617 5.585 247 HG LEU 37 HG LEU 37 34.890 17.963 4.279 248 HD11 LEU 37 HD11 LEU 37 34.103 17.090 2.270 249 HD12 LEU 37 HD12 LEU 37 32.678 17.967 2.829 250 HD13 LEU 37 HD13 LEU 37 32.780 16.221 3.049 251 HD21 LEU 37 HD21 LEU 37 33.408 18.023 6.349 252 HD22 LEU 37 HD22 LEU 37 32.069 17.550 5.303 253 HD23 LEU 37 HD23 LEU 37 32.901 19.081 5.032 254 H VAL 38 HN VAL 38 36.466 13.786 5.572 255 HA VAL 38 HA VAL 38 35.256 12.419 7.660 256 HB VAL 38 HB VAL 38 37.988 11.901 6.460 257 HG11 VAL 38 HG11 VAL 38 37.876 10.532 8.363 258 HG12 VAL 38 HG12 VAL 38 37.218 9.489 7.103 259 HG13 VAL 38 HG13 VAL 38 36.131 10.314 8.221 260 HG21 VAL 38 HG21 VAL 38 36.547 10.201 5.142 261 HG22 VAL 38 HG22 VAL 38 36.439 11.896 4.667 262 HG23 VAL 38 HG23 VAL 38 35.169 11.175 5.655 263 H PHE 39 HN PHE 39 38.184 14.369 7.658 264 HA PHE 39 HA PHE 39 39.057 13.596 10.271 265 HB2 PHE 39 HB2 PHE 39 40.656 14.517 8.709 266 HB3 PHE 39 HB1 PHE 39 39.716 16.001 8.559 267 HD1 PHE 39 HD2 PHE 39 41.155 13.857 11.289 268 HD2 PHE 39 HD1 PHE 39 40.453 17.828 9.808 269 HE1 PHE 39 HE2 PHE 39 42.344 14.799 13.250 270 HE2 PHE 39 HE1 PHE 39 41.640 18.769 11.769 271 HZ PHE 39 HZ PHE 39 42.586 17.255 13.491 272 H LEU 40 HN LEU 40 36.777 15.899 9.026 273 HA LEU 40 HA LEU 40 36.524 17.171 11.674 274 HB2 LEU 40 HB2 LEU 40 35.261 18.011 9.056 275 HB3 LEU 40 HB1 LEU 40 35.318 18.940 10.554 276 HG LEU 40 HG LEU 40 37.730 18.083 8.924 277 HD11 LEU 40 HD11 LEU 40 36.241 19.913 7.966 278 HD12 LEU 40 HD12 LEU 40 37.916 20.380 8.263 279 HD13 LEU 40 HD13 LEU 40 36.649 20.872 9.389 280 HD21 LEU 40 HD21 LEU 40 37.363 19.458 11.571 281 HD22 LEU 40 HD22 LEU 40 38.740 19.892 10.558 282 HD23 LEU 40 HD23 LEU 40 38.540 18.229 11.109 283 H LEU 41 HN LEU 41 35.289 14.610 10.051 284 HA LEU 41 HA LEU 41 32.747 14.774 11.531 285 HB2 LEU 41 HB2 LEU 41 33.041 14.809 8.664 286 HB3 LEU 41 HB1 LEU 41 32.206 13.339 9.165 287 HG LEU 41 HG LEU 41 31.450 16.118 10.108 288 HD11 LEU 41 HD11 LEU 41 31.112 15.746 7.642 289 HD12 LEU 41 HD12 LEU 41 29.614 16.013 8.531 290 HD13 LEU 41 HD13 LEU 41 30.070 14.382 8.042 291 HD21 LEU 41 HD21 LEU 41 29.387 14.101 10.200 292 HD22 LEU 41 HD22 LEU 41 30.065 15.044 11.527 293 HD23 LEU 41 HD23 LEU 41 30.820 13.523 11.051 294 H GLY 42 HN GLY 42 35.542 13.255 11.310 295 HA2 GLY 42 HA2 GLY 42 34.609 10.495 11.242 296 HA3 GLY 42 HA1 GLY 42 36.273 11.032 11.447 297 H THR 43 HN THR 43 36.134 12.700 13.594 298 HA THR 43 HA THR 43 34.831 11.194 15.758 299 HB THR 43 HB THR 43 37.280 10.469 15.364 300 HG1 THR 43 HG1 THR 43 37.615 10.601 17.705 301 HG21 THR 43 HG21 THR 43 37.877 12.998 16.888 302 HG22 THR 43 HG22 THR 43 37.943 12.963 15.126 303 HG23 THR 43 HG23 THR 43 39.001 11.914 16.069 304 H THR 44 HN THR 44 36.436 14.098 14.608 305 HA THR 44 HA THR 44 36.142 15.679 16.930 306 HB THR 44 HB THR 44 36.378 16.368 14.001 307 HG1 THR 44 HG1 THR 44 38.047 16.311 16.265 308 HG21 THR 44 HG21 THR 44 36.878 18.712 14.982 309 HG22 THR 44 HG22 THR 44 35.989 18.152 16.398 310 HG23 THR 44 HG23 THR 44 35.190 18.227 14.827 311 H GLY 45 HN GLY 45 33.831 14.423 14.801 312 HA2 GLY 45 HA2 GLY 45 31.866 16.258 14.431 313 HA3 GLY 45 HA1 GLY 45 31.518 14.594 14.893 314 H ASN 46 HN ASN 46 32.633 14.628 17.483 315 HA ASN 46 HA ASN 46 30.642 16.304 18.866 316 HB2 ASN 46 HB2 ASN 46 30.718 13.757 19.153 317 HB3 ASN 46 HB1 ASN 46 32.198 14.022 20.072 318 HD21 ASN 46 HD21 ASN 46 31.149 16.671 21.113 319 HD22 ASN 46 HD22 ASN 46 30.015 16.250 22.304 320 H GLY 47 HN GLY 47 32.903 17.641 17.976 321 HA2 GLY 47 HA2 GLY 47 34.174 18.330 20.544 322 HA3 GLY 47 HA1 GLY 47 35.188 18.026 19.136 323 H LEU 48 HN LEU 48 32.094 19.479 18.635 324 HA LEU 48 HA LEU 48 33.421 22.039 17.996 325 HB2 LEU 48 HB2 LEU 48 31.062 20.588 16.858 326 HB3 LEU 48 HB1 LEU 48 31.125 22.346 16.743 327 HG LEU 48 HG LEU 48 33.557 20.769 15.983 328 HD11 LEU 48 HD11 LEU 48 32.425 20.995 13.577 329 HD12 LEU 48 HD12 LEU 48 30.947 20.852 14.527 330 HD13 LEU 48 HD13 LEU 48 32.159 19.572 14.584 331 HD21 LEU 48 HD21 LEU 48 32.442 23.119 14.503 332 HD22 LEU 48 HD22 LEU 48 34.123 22.697 14.831 333 HD23 LEU 48 HD23 LEU 48 33.125 23.399 16.105 334 H VAL 49 HN VAL 49 31.431 20.566 20.266 335 HA VAL 49 HA VAL 49 29.904 22.980 20.895 336 HB VAL 49 HB VAL 49 28.931 21.520 22.702 337 HG11 VAL 49 HG11 VAL 49 27.570 21.580 20.821 338 HG12 VAL 49 HG12 VAL 49 27.947 19.859 20.888 339 HG13 VAL 49 HG13 VAL 49 28.817 20.908 19.769 340 HG21 VAL 49 HG21 VAL 49 29.446 19.167 22.717 341 HG22 VAL 49 HG22 VAL 49 30.985 20.027 22.795 342 HG23 VAL 49 HG23 VAL 49 30.445 19.318 21.272 343 H LEU 50 HN LEU 50 32.967 22.226 21.345 344 HA LEU 50 HA LEU 50 33.092 23.605 23.937 345 HB2 LEU 50 HB2 LEU 50 35.108 21.983 24.397 346 HB3 LEU 50 HB1 LEU 50 33.462 21.475 24.771 347 HG LEU 50 HG LEU 50 33.313 20.285 22.632 348 HD11 LEU 50 HD11 LEU 50 36.047 21.504 22.225 349 HD12 LEU 50 HD12 LEU 50 34.648 21.568 21.152 350 HD13 LEU 50 HD13 LEU 50 35.542 20.061 21.346 351 HD21 LEU 50 HD21 LEU 50 34.504 19.336 24.763 352 HD22 LEU 50 HD22 LEU 50 35.972 19.486 23.795 353 HD23 LEU 50 HD23 LEU 50 34.650 18.457 23.240 354 H TRP 51 HN TRP 51 33.796 23.783 20.838 355 HA TRP 51 HA TRP 51 36.588 24.652 21.112 356 HB2 TRP 51 HB2 TRP 51 36.266 23.297 19.190 357 HB3 TRP 51 HB1 TRP 51 34.795 24.157 18.737 358 HD1 TRP 51 HD1 TRP 51 38.465 25.201 19.440 359 HE1 TRP 51 HE1 TRP 51 39.176 26.876 17.614 360 HE3 TRP 51 HE3 TRP 51 34.153 25.422 16.713 361 HZ2 TRP 51 HZ2 TRP 51 38.064 28.144 15.304 362 HZ3 TRP 51 HZ3 TRP 51 34.007 26.868 14.707 363 HH2 TRP 51 HH2 TRP 51 35.956 28.228 14.000 364 H THR 52 HN THR 52 34.212 26.028 18.915 365 HA THR 52 HA THR 52 35.031 28.667 19.206 366 HB THR 52 HB THR 52 33.635 28.028 17.349 367 HG1 THR 52 HG1 THR 52 33.265 30.121 18.765 368 HG21 THR 52 HG21 THR 52 31.324 27.312 17.635 369 HG22 THR 52 HG22 THR 52 31.446 27.520 19.382 370 HG23 THR 52 HG23 THR 52 32.377 26.257 18.578 371 H VAL 53 HN VAL 53 32.626 26.841 21.035 372 HA VAL 53 HA VAL 53 31.409 28.912 22.447 373 HB VAL 53 HB VAL 53 32.061 26.097 23.344 374 HG11 VAL 53 HG11 VAL 53 30.612 28.362 24.635 375 HG12 VAL 53 HG12 VAL 53 31.524 27.046 25.373 376 HG13 VAL 53 HG13 VAL 53 29.890 26.760 24.774 377 HG21 VAL 53 HG21 VAL 53 29.598 25.806 22.798 378 HG22 VAL 53 HG22 VAL 53 30.637 26.089 21.401 379 HG23 VAL 53 HG23 VAL 53 29.652 27.401 22.048 380 H PHE 54 HN PHE 54 34.533 27.384 22.903 381 HA PHE 54 HA PHE 54 35.070 28.407 25.499 382 HB2 PHE 54 HB2 PHE 54 36.287 26.548 24.101 383 HB3 PHE 54 HB1 PHE 54 37.248 27.900 23.504 384 HD1 PHE 54 HD1 PHE 54 38.630 29.247 25.040 385 HD2 PHE 54 HD2 PHE 54 36.421 25.830 26.414 386 HE1 PHE 54 HE1 PHE 54 39.957 29.231 27.135 387 HE2 PHE 54 HE2 PHE 54 37.748 25.814 28.509 388 HZ PHE 54 HZ PHE 54 39.516 27.514 28.870 389 H ARG 55 HN ARG 55 35.922 29.553 22.239 390 HA ARG 55 HA ARG 55 36.965 32.046 23.376 391 HB2 ARG 55 HB2 ARG 55 36.860 31.316 20.452 392 HB3 ARG 55 HB1 ARG 55 37.938 32.456 21.258 393 HG2 ARG 55 HG2 ARG 55 39.419 30.737 21.287 394 HG3 ARG 55 HG1 ARG 55 38.449 30.126 22.628 395 HD2 ARG 55 HD2 ARG 55 38.612 28.317 21.085 396 HD3 ARG 55 HD1 ARG 55 36.994 28.978 20.873 397 HE ARG 55 HE ARG 55 37.618 29.725 18.747 398 HH11 ARG 55 HH21 ARG 55 40.337 28.634 20.588 399 HH12 ARG 55 HH22 ARG 55 41.430 28.655 19.245 400 HH21 ARG 55 HH11 ARG 55 39.046 29.756 16.981 401 HH22 ARG 55 HH12 ARG 55 40.699 29.290 17.203 402 H LYS 56 HN LYS 56 34.048 31.246 23.265 403 HA LYS 56 HA LYS 56 32.922 33.204 21.422 404 HB2 LYS 56 HB2 LYS 56 31.767 31.090 21.593 405 HB3 LYS 56 HB1 LYS 56 31.663 31.238 23.347 406 HG2 LYS 56 HG2 LYS 56 30.564 33.547 21.891 407 HG3 LYS 56 HG1 LYS 56 29.707 32.038 21.588 408 HD2 LYS 56 HD2 LYS 56 30.408 32.898 24.395 409 HD3 LYS 56 HD1 LYS 56 28.934 33.457 23.607 410 HE2 LYS 56 HE2 LYS 56 29.419 30.553 23.382 411 HE3 LYS 56 HE1 LYS 56 29.123 31.126 25.024 412 HZ1 LYS 56 HZ1 LYS 56 27.126 32.255 24.194 413 HZ2 LYS 56 HZ2 LYS 56 27.052 30.572 23.970 414 HZ3 LYS 56 HZ3 LYS 56 27.394 31.593 22.656 415 H LYS 57 HN LYS 57 33.007 32.577 24.928 416 HA LYS 57 HA LYS 57 31.555 34.787 25.798 417 HB2 LYS 57 HB2 LYS 57 32.785 34.546 27.921 418 HB3 LYS 57 HB1 LYS 57 32.264 32.981 27.298 419 HG2 LYS 57 HG2 LYS 57 34.405 32.292 27.382 420 HG3 LYS 57 HG1 LYS 57 34.791 33.479 26.136 421 HD2 LYS 57 HD2 LYS 57 36.231 33.898 28.038 422 HD3 LYS 57 HD1 LYS 57 35.045 35.201 27.953 423 HE2 LYS 57 HE2 LYS 57 34.451 34.721 30.069 424 HE3 LYS 57 HE1 LYS 57 33.846 33.166 29.498 425 HZ1 LYS 57 HZ1 LYS 57 36.232 32.393 29.675 426 HZ2 LYS 57 HZ2 LYS 57 35.412 32.658 31.139 427 HZ3 LYS 57 HZ3 LYS 57 36.529 33.804 30.568 428 H GLY 58 HN GLY 58 34.748 34.609 24.464 429 HA2 GLY 58 HA2 GLY 58 35.284 36.995 23.578 430 HA3 GLY 58 HA1 GLY 58 35.356 37.365 25.299 431 H HIS 59 HN HIS 59 36.800 35.788 26.577 432 HA HIS 59 HA HIS 59 38.870 34.323 25.431 433 HB2 HIS 59 HB2 HIS 59 40.690 36.186 25.914 434 HB3 HIS 59 HB1 HIS 59 39.892 36.085 24.345 435 HD2 HIS 59 HD2 HIS 59 37.806 37.617 27.267 436 HE1 HIS 59 HE1 HIS 59 39.008 40.792 24.757 437 HE2 HIS 59 HE2 HIS 59 37.540 40.158 26.729 438 H HIS 60 HN HIS 60 38.822 33.041 27.208 439 HA HIS 60 HA HIS 60 38.935 32.406 29.431 440 HB2 HIS 60 HB2 HIS 60 41.215 34.388 29.240 441 HB3 HIS 60 HB1 HIS 60 41.010 33.208 30.535 442 HD2 HIS 60 HD2 HIS 60 42.188 33.329 26.815 443 HE1 HIS 60 HE1 HIS 60 42.433 29.314 28.102 444 HE2 HIS 60 HE2 HIS 60 43.021 30.924 26.227 445 H HIS 61 HN HIS 61 39.721 33.718 31.722 446 HA HIS 61 HA HIS 61 38.403 36.240 32.049 447 HB2 HIS 61 HB2 HIS 61 36.362 35.017 31.944 448 HB3 HIS 61 HB1 HIS 61 37.002 33.727 32.962 449 HD2 HIS 61 HD2 HIS 61 36.519 37.653 33.564 450 HE1 HIS 61 HE1 HIS 61 35.448 35.545 37.062 451 HE2 HIS 61 HE2 HIS 61 35.643 37.851 36.016 452 H HIS 62 HN HIS 62 38.370 33.575 34.364 453 HA HIS 62 HA HIS 62 39.471 34.941 36.491 454 HB2 HIS 62 HB2 HIS 62 40.275 32.591 37.226 455 HB3 HIS 62 HB1 HIS 62 38.545 32.843 36.992 456 HD2 HIS 62 HD2 HIS 62 41.550 31.289 34.893 457 HE1 HIS 62 HE1 HIS 62 37.912 29.619 33.549 458 HE2 HIS 62 HE2 HIS 62 40.438 29.547 33.296 459 H HIS 63 HN HIS 63 41.624 34.575 37.530 460 HA HIS 63 HA HIS 63 43.871 33.883 35.884 461 HB2 HIS 63 HB2 HIS 63 43.197 36.195 35.060 462 HB3 HIS 63 HB1 HIS 63 43.660 36.796 36.652 463 HD2 HIS 63 HD2 HIS 63 45.554 34.467 34.005 464 HE1 HIS 63 HE1 HIS 63 48.278 37.238 35.652 465 HE2 HIS 63 HE2 HIS 63 48.023 35.316 34.013 466 H HIS 64 HN HIS 64 43.089 32.890 38.303 467 HA HIS 64 HA HIS 64 44.161 34.165 40.579 468 HB2 HIS 64 HB2 HIS 64 43.476 31.320 39.901 469 HB3 HIS 64 HB1 HIS 64 44.287 31.701 41.420 470 HD2 HIS 64 HD2 HIS 64 42.262 31.817 43.294 471 HE1 HIS 64 HE1 HIS 64 39.468 34.020 41.022 472 HE2 HIS 64 HE2 HIS 64 39.922 32.976 43.292 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 79.914 43.565 -14.402 2 H2 MET 1 HT2 MET 1 81.272 44.432 -14.943 3 H3 MET 1 HT3 MET 1 80.621 43.185 -15.896 4 HA MET 1 HA MET 1 79.057 45.588 -15.168 5 HB2 MET 1 HB2 MET 1 81.341 45.435 -16.894 6 HB3 MET 1 HB1 MET 1 79.903 45.671 -17.888 7 HG2 MET 1 HG2 MET 1 80.634 47.349 -15.469 8 HG3 MET 1 HG1 MET 1 80.885 47.832 -17.147 9 HE1 MET 1 HE1 MET 1 77.975 49.916 -17.614 10 HE2 MET 1 HE2 MET 1 79.261 49.088 -18.488 11 HE3 MET 1 HE3 MET 1 79.631 49.943 -16.992 12 H GLU 2 HN GLU 2 77.275 45.851 -16.720 13 HA GLU 2 HA GLU 2 75.371 44.996 -17.691 14 HB2 GLU 2 HB2 GLU 2 77.343 44.695 -19.449 15 HB3 GLU 2 HB1 GLU 2 77.008 42.985 -19.167 16 HG2 GLU 2 HG2 GLU 2 75.583 43.588 -20.967 17 HG3 GLU 2 HG1 GLU 2 74.537 43.575 -19.549 18 H GLU 3 HN GLU 3 75.887 43.904 -15.190 19 HA GLU 3 HA GLU 3 75.998 41.136 -14.975 20 HB2 GLU 3 HB2 GLU 3 74.383 43.072 -13.296 21 HB3 GLU 3 HB1 GLU 3 74.801 41.421 -12.836 22 HG2 GLU 3 HG2 GLU 3 76.808 42.105 -12.095 23 HG3 GLU 3 HG1 GLU 3 77.186 42.775 -13.682 24 H GLY 4 HN GLY 4 73.848 40.029 -13.908 25 HA2 GLY 4 HA2 GLY 4 71.550 39.515 -14.204 26 HA3 GLY 4 HA1 GLY 4 71.544 40.496 -15.667 27 H GLY 5 HN GLY 5 73.890 37.995 -14.797 28 HA2 GLY 5 HA2 GLY 5 74.103 35.810 -15.625 29 HA3 GLY 5 HA1 GLY 5 72.735 36.103 -16.695 30 H ASP 6 HN ASP 6 76.182 36.636 -16.230 31 HA ASP 6 HA ASP 6 76.760 38.055 -18.574 32 HB2 ASP 6 HB2 ASP 6 78.562 37.945 -17.126 33 HB3 ASP 6 HB1 ASP 6 78.318 36.234 -16.784 34 H PHE 7 HN PHE 7 76.596 34.553 -17.992 35 HA PHE 7 HA PHE 7 76.210 34.156 -20.880 36 HB2 PHE 7 HB2 PHE 7 77.804 32.347 -20.968 37 HB3 PHE 7 HB1 PHE 7 78.626 33.770 -20.326 38 HD1 PHE 7 HD1 PHE 7 78.679 34.027 -17.736 39 HD2 PHE 7 HD2 PHE 7 77.836 30.334 -19.761 40 HE1 PHE 7 HE1 PHE 7 79.262 32.767 -15.681 41 HE2 PHE 7 HE2 PHE 7 78.419 29.073 -17.706 42 HZ PHE 7 HZ PHE 7 79.132 30.291 -15.665 43 H ASP 8 HN ASP 8 74.205 34.155 -18.987 44 HA ASP 8 HA ASP 8 73.592 31.752 -17.725 45 HB2 ASP 8 HB2 ASP 8 72.337 34.004 -17.668 46 HB3 ASP 8 HB1 ASP 8 71.503 33.422 -19.108 47 H ASN 9 HN ASN 9 73.599 29.786 -18.605 48 HA ASN 9 HA ASN 9 72.856 29.436 -21.417 49 HB2 ASN 9 HB2 ASN 9 74.059 27.483 -21.378 50 HB3 ASN 9 HB1 ASN 9 74.883 28.343 -20.079 51 HD21 ASN 9 HD21 ASN 9 72.952 28.085 -18.006 52 HD22 ASN 9 HD22 ASN 9 72.797 26.443 -17.608 53 H TYR 10 HN TYR 10 70.957 29.989 -19.096 54 HA TYR 10 HA TYR 10 68.770 29.432 -18.643 55 HB2 TYR 10 HB2 TYR 10 68.869 27.099 -20.516 56 HB3 TYR 10 HB1 TYR 10 67.552 28.228 -20.200 57 HD1 TYR 10 HD2 TYR 10 68.710 30.848 -20.515 58 HD2 TYR 10 HD1 TYR 10 69.478 27.274 -22.771 59 HE1 TYR 10 HE2 TYR 10 69.415 32.223 -22.454 60 HE2 TYR 10 HE1 TYR 10 70.184 28.650 -24.709 61 HH TYR 10 HH TYR 10 71.168 31.118 -24.950 62 H TYR 11 HN TYR 11 71.013 26.716 -19.002 63 HA TYR 11 HA TYR 11 71.555 25.045 -17.503 64 HB2 TYR 11 HB2 TYR 11 70.709 27.001 -15.839 65 HB3 TYR 11 HB1 TYR 11 69.478 25.778 -15.523 66 HD1 TYR 11 HD2 TYR 11 73.190 26.175 -15.851 67 HD2 TYR 11 HD1 TYR 11 69.943 24.012 -14.052 68 HE1 TYR 11 HE2 TYR 11 74.804 24.909 -14.458 69 HE2 TYR 11 HE1 TYR 11 71.558 22.746 -12.659 70 HH TYR 11 HH TYR 11 74.101 22.111 -12.915 71 H GLY 12 HN GLY 12 69.859 23.582 -15.811 72 HA2 GLY 12 HA2 GLY 12 68.759 21.662 -17.381 73 HA3 GLY 12 HA1 GLY 12 68.109 22.058 -15.793 74 H ALA 13 HN ALA 13 67.356 24.782 -16.622 75 HA ALA 13 HA ALA 13 65.450 25.843 -17.348 76 HB1 ALA 13 HB1 ALA 13 64.784 25.338 -19.692 77 HB2 ALA 13 HB2 ALA 13 65.898 23.971 -19.682 78 HB3 ALA 13 HB3 ALA 13 66.517 25.614 -19.519 79 H ASP 14 HN ASP 14 64.652 22.818 -18.967 80 HA ASP 14 HA ASP 14 62.010 22.735 -18.043 81 HB2 ASP 14 HB2 ASP 14 63.462 20.203 -18.706 82 HB3 ASP 14 HB1 ASP 14 61.834 20.710 -19.155 83 H ASN 15 HN ASN 15 64.869 20.937 -16.902 84 HA ASN 15 HA ASN 15 63.740 19.395 -14.923 85 HB2 ASN 15 HB2 ASN 15 66.390 20.484 -15.482 86 HB3 ASN 15 HB1 ASN 15 66.096 20.270 -13.757 87 HD21 ASN 15 HD21 ASN 15 66.311 18.162 -12.958 88 HD22 ASN 15 HD22 ASN 15 66.396 16.772 -13.928 89 H GLN 16 HN GLN 16 64.548 22.829 -14.819 90 HA GLN 16 HA GLN 16 63.515 23.002 -12.069 91 HB2 GLN 16 HB2 GLN 16 64.812 25.214 -13.662 92 HB3 GLN 16 HB1 GLN 16 64.604 25.111 -11.914 93 HG2 GLN 16 HG2 GLN 16 66.026 22.945 -12.091 94 HG3 GLN 16 HG1 GLN 16 66.492 23.559 -13.677 95 HE21 GLN 16 HE21 GLN 16 67.287 23.684 -10.373 96 HE22 GLN 16 HE22 GLN 16 68.262 25.072 -10.414 97 H SER 17 HN SER 17 61.627 22.474 -14.069 98 HA SER 17 HA SER 17 59.998 24.908 -13.875 99 HB2 SER 17 HB2 SER 17 61.276 24.332 -16.233 100 HB3 SER 17 HB1 SER 17 59.722 23.534 -16.458 101 HG SER 17 HG SER 17 58.720 25.425 -16.348 102 H GLU 18 HN GLU 18 57.846 24.014 -15.389 103 HA GLU 18 HA GLU 18 56.378 22.497 -13.599 104 HB2 GLU 18 HB2 GLU 18 54.900 21.988 -15.615 105 HB3 GLU 18 HB1 GLU 18 55.198 23.694 -15.281 106 HG2 GLU 18 HG2 GLU 18 56.289 23.987 -17.234 107 HG3 GLU 18 HG1 GLU 18 57.252 22.528 -17.000 108 H CYS 19 HN CYS 19 57.668 20.743 -12.894 109 HA CYS 19 HA CYS 19 57.465 18.401 -14.643 110 HB2 CYS 19 HB2 CYS 19 59.920 19.768 -14.182 111 HB3 CYS 19 HB1 CYS 19 59.983 18.240 -13.304 112 HG CYS 19 HG CYS 19 60.606 17.422 -15.599 113 H GLU 20 HN GLU 20 56.032 17.344 -13.355 114 HA GLU 20 HA GLU 20 55.272 16.084 -11.593 115 HB2 GLU 20 HB2 GLU 20 58.028 16.234 -10.390 116 HB3 GLU 20 HB1 GLU 20 56.851 14.923 -10.291 117 HG2 GLU 20 HG2 GLU 20 57.107 14.842 -12.893 118 HG3 GLU 20 HG1 GLU 20 58.615 15.706 -12.597 119 H TYR 21 HN TYR 21 56.303 19.185 -11.350 120 HA TYR 21 HA TYR 21 55.603 19.429 -8.490 121 HB2 TYR 21 HB2 TYR 21 56.763 21.683 -10.078 122 HB3 TYR 21 HB1 TYR 21 56.938 21.315 -8.362 123 HD1 TYR 21 HD2 TYR 21 57.769 18.555 -8.269 124 HD2 TYR 21 HD1 TYR 21 58.881 21.611 -11.075 125 HE1 TYR 21 HE2 TYR 21 59.887 17.354 -8.739 126 HE2 TYR 21 HE1 TYR 21 60.998 20.410 -11.546 127 HH TYR 21 HH TYR 21 62.460 18.567 -9.941 128 H THR 22 HN THR 22 53.743 19.119 -10.817 129 HA THR 22 HA THR 22 51.794 21.013 -10.013 130 HB THR 22 HB THR 22 52.698 22.750 -11.217 131 HG1 THR 22 HG1 THR 22 51.374 22.983 -12.866 132 HG21 THR 22 HG21 THR 22 54.698 21.930 -12.060 133 HG22 THR 22 HG22 THR 22 53.790 22.168 -13.553 134 HG23 THR 22 HG23 THR 22 53.922 20.557 -12.848 135 H ASP 23 HN ASP 23 52.924 19.046 -12.751 136 HA ASP 23 HA ASP 23 50.286 18.393 -13.655 137 HB2 ASP 23 HB2 ASP 23 53.035 17.315 -14.253 138 HB3 ASP 23 HB1 ASP 23 51.586 16.571 -14.926 139 H TRP 24 HN TRP 24 50.081 17.920 -11.046 140 HA TRP 24 HA TRP 24 49.336 15.181 -10.906 141 HB2 TRP 24 HB2 TRP 24 50.918 14.300 -9.376 142 HB3 TRP 24 HB1 TRP 24 51.878 15.083 -10.631 143 HD1 TRP 24 HD1 TRP 24 53.268 17.195 -9.989 144 HE1 TRP 24 HE1 TRP 24 53.815 18.339 -7.744 145 HE3 TRP 24 HE3 TRP 24 49.910 14.833 -6.951 146 HZ2 TRP 24 HZ2 TRP 24 52.945 18.264 -5.021 147 HZ3 TRP 24 HZ3 TRP 24 49.791 15.388 -4.538 148 HH2 TRP 24 HH2 TRP 24 51.303 17.099 -3.570 149 H LYS 25 HN LYS 25 50.069 18.201 -9.277 150 HA LYS 25 HA LYS 25 49.017 17.947 -6.788 151 HB2 LYS 25 HB2 LYS 25 49.793 20.067 -8.193 152 HB3 LYS 25 HB1 LYS 25 48.052 20.288 -8.365 153 HG2 LYS 25 HG2 LYS 25 48.436 21.434 -6.380 154 HG3 LYS 25 HG1 LYS 25 48.052 19.827 -5.762 155 HD2 LYS 25 HD2 LYS 25 50.026 20.210 -4.622 156 HD3 LYS 25 HD1 LYS 25 50.674 19.472 -6.087 157 HE2 LYS 25 HE2 LYS 25 51.906 21.531 -5.552 158 HE3 LYS 25 HE1 LYS 25 51.014 21.722 -7.061 159 HZ1 LYS 25 HZ1 LYS 25 49.508 23.124 -6.107 160 HZ2 LYS 25 HZ2 LYS 25 50.885 23.524 -5.197 161 HZ3 LYS 25 HZ3 LYS 25 49.708 22.483 -4.550 162 H SER 26 HN SER 26 47.340 16.569 -6.425 163 HA SER 26 HA SER 26 45.117 16.014 -6.148 164 HB2 SER 26 HB2 SER 26 44.151 18.171 -7.957 165 HB3 SER 26 HB1 SER 26 43.507 17.624 -6.411 166 HG SER 26 HG SER 26 46.002 18.615 -6.132 167 H SER 27 HN SER 27 45.082 14.107 -7.234 168 HA SER 27 HA SER 27 45.198 13.933 -10.097 169 HB2 SER 27 HB2 SER 27 45.532 12.158 -7.970 170 HB3 SER 27 HB1 SER 27 44.076 11.595 -8.788 171 HG SER 27 HG SER 27 45.241 11.051 -10.461 172 H GLY 28 HN GLY 28 42.635 12.843 -7.861 173 HA2 GLY 28 HA2 GLY 28 40.643 12.905 -9.932 174 HA3 GLY 28 HA1 GLY 28 40.365 12.578 -8.224 175 H ALA 29 HN ALA 29 41.712 15.076 -7.404 176 HA ALA 29 HA ALA 29 41.300 17.341 -7.166 177 HB1 ALA 29 HB1 ALA 29 40.663 17.037 -9.744 178 HB2 ALA 29 HB2 ALA 29 40.328 18.530 -8.868 179 HB3 ALA 29 HB3 ALA 29 39.046 17.345 -9.111 180 H LEU 30 HN LEU 30 40.194 15.462 -5.477 181 HA LEU 30 HA LEU 30 37.913 16.926 -4.476 182 HB2 LEU 30 HB2 LEU 30 36.298 15.191 -4.543 183 HB3 LEU 30 HB1 LEU 30 36.981 15.258 -6.165 184 HG LEU 30 HG LEU 30 37.633 13.255 -3.982 185 HD11 LEU 30 HD11 LEU 30 35.565 13.055 -5.523 186 HD12 LEU 30 HD12 LEU 30 36.640 11.661 -5.404 187 HD13 LEU 30 HD13 LEU 30 36.728 12.727 -6.807 188 HD21 LEU 30 HD21 LEU 30 39.112 12.276 -5.850 189 HD22 LEU 30 HD22 LEU 30 39.736 13.697 -5.015 190 HD23 LEU 30 HD23 LEU 30 39.002 13.862 -6.611 191 H ILE 31 HN ILE 31 40.718 15.864 -3.811 192 HA ILE 31 HA ILE 31 40.368 14.066 -1.616 193 HB ILE 31 HB ILE 31 42.766 15.804 -1.651 194 HG12 ILE 31 HG12 ILE 31 41.897 14.078 -3.969 195 HG13 ILE 31 HG11 ILE 31 42.614 15.690 -4.003 196 HG21 ILE 31 HG21 ILE 31 43.843 13.802 -1.053 197 HG22 ILE 31 HG22 ILE 31 42.604 12.801 -1.810 198 HG23 ILE 31 HG23 ILE 31 42.257 13.640 -0.298 199 HD11 ILE 31 HD11 ILE 31 43.951 13.042 -3.502 200 HD12 ILE 31 HD12 ILE 31 44.671 14.531 -2.890 201 HD13 ILE 31 HD13 ILE 31 44.415 14.322 -4.622 202 HA PRO 32 HA PRO 32 40.580 17.984 1.039 203 HB2 PRO 32 HB2 PRO 32 40.343 20.427 -0.142 204 HB3 PRO 32 HB1 PRO 32 41.890 19.577 0.016 205 HG2 PRO 32 HG2 PRO 32 40.242 20.033 -2.363 206 HG3 PRO 32 HG1 PRO 32 41.968 19.671 -2.234 207 HD2 PRO 32 HD2 PRO 32 39.840 17.856 -2.890 208 HD3 PRO 32 HD1 PRO 32 41.568 17.486 -2.722 209 H ALA 33 HN ALA 33 38.245 16.906 -0.802 210 HA ALA 33 HA ALA 33 36.159 18.734 0.235 211 HB1 ALA 33 HB1 ALA 33 34.743 17.891 -1.617 212 HB2 ALA 33 HB2 ALA 33 36.106 16.937 -2.201 213 HB3 ALA 33 HB3 ALA 33 36.196 18.698 -2.204 214 H ILE 34 HN ILE 34 37.250 15.424 -0.105 215 HA ILE 34 HA ILE 34 34.947 14.484 1.486 216 HB ILE 34 HB ILE 34 36.942 12.915 -0.165 217 HG12 ILE 34 HG12 ILE 34 33.995 13.443 -0.651 218 HG13 ILE 34 HG11 ILE 34 35.292 14.347 -1.431 219 HG21 ILE 34 HG21 ILE 34 35.026 12.168 1.896 220 HG22 ILE 34 HG22 ILE 34 36.240 11.174 1.089 221 HG23 ILE 34 HG23 ILE 34 34.650 11.394 0.357 222 HD11 ILE 34 HD11 ILE 34 34.186 11.891 -2.273 223 HD12 ILE 34 HD12 ILE 34 35.793 11.509 -1.653 224 HD13 ILE 34 HD13 ILE 34 35.604 12.703 -2.937 225 H TYR 35 HN TYR 35 38.475 14.531 1.318 226 HA TYR 35 HA TYR 35 38.835 13.001 3.729 227 HB2 TYR 35 HB2 TYR 35 40.486 13.341 1.746 228 HB3 TYR 35 HB1 TYR 35 40.913 14.839 2.573 229 HD1 TYR 35 HD1 TYR 35 40.786 11.146 2.893 230 HD2 TYR 35 HD2 TYR 35 42.151 14.829 4.634 231 HE1 TYR 35 HE1 TYR 35 42.211 9.872 4.472 232 HE2 TYR 35 HE2 TYR 35 43.576 13.554 6.213 233 HH TYR 35 HH TYR 35 44.353 11.544 6.774 234 H MET 36 HN MET 36 38.488 16.381 2.910 235 HA MET 36 HA MET 36 39.343 17.296 5.533 236 HB2 MET 36 HB2 MET 36 38.365 18.625 3.024 237 HB3 MET 36 HB1 MET 36 38.389 19.519 4.545 238 HG2 MET 36 HG2 MET 36 40.845 17.981 3.868 239 HG3 MET 36 HG1 MET 36 40.517 19.417 2.898 240 HE1 MET 36 HE1 MET 36 41.266 21.887 3.785 241 HE2 MET 36 HE2 MET 36 40.350 22.305 5.231 242 HE3 MET 36 HE3 MET 36 39.552 21.464 3.904 243 H LEU 37 HN LEU 37 36.313 17.145 3.670 244 HA LEU 37 HA LEU 37 34.713 18.123 5.848 245 HB2 LEU 37 HB2 LEU 37 33.782 16.622 3.394 246 HB3 LEU 37 HB1 LEU 37 32.829 17.698 4.416 247 HG LEU 37 HG LEU 37 35.224 18.512 2.740 248 HD11 LEU 37 HD11 LEU 37 32.464 19.597 2.362 249 HD12 LEU 37 HD12 LEU 37 32.802 17.977 1.750 250 HD13 LEU 37 HD13 LEU 37 33.746 19.353 1.176 251 HD21 LEU 37 HD21 LEU 37 33.515 19.920 4.772 252 HD22 LEU 37 HD22 LEU 37 34.181 20.836 3.420 253 HD23 LEU 37 HD23 LEU 37 35.261 20.004 4.538 254 H VAL 38 HN VAL 38 36.415 15.757 6.361 255 HA VAL 38 HA VAL 38 34.312 14.053 7.497 256 HB VAL 38 HB VAL 38 36.545 13.111 5.698 257 HG11 VAL 38 HG11 VAL 38 36.726 11.621 7.522 258 HG12 VAL 38 HG12 VAL 38 35.627 10.795 6.418 259 HG13 VAL 38 HG13 VAL 38 34.988 11.643 7.825 260 HG21 VAL 38 HG21 VAL 38 34.687 11.959 4.562 261 HG22 VAL 38 HG22 VAL 38 34.367 13.691 4.662 262 HG23 VAL 38 HG23 VAL 38 33.557 12.580 5.765 263 H PHE 39 HN PHE 39 37.234 15.692 7.746 264 HA PHE 39 HA PHE 39 38.300 14.048 9.913 265 HB2 PHE 39 HB2 PHE 39 40.026 14.885 8.565 266 HB3 PHE 39 HB1 PHE 39 39.273 16.474 8.426 267 HD1 PHE 39 HD1 PHE 39 40.775 14.138 10.936 268 HD2 PHE 39 HD2 PHE 39 39.887 18.208 9.888 269 HE1 PHE 39 HE1 PHE 39 42.066 14.926 12.901 270 HE2 PHE 39 HE2 PHE 39 41.179 18.995 11.853 271 HZ PHE 39 HZ PHE 39 42.269 17.354 13.360 272 H LEU 40 HN LEU 40 36.698 17.141 9.401 273 HA LEU 40 HA LEU 40 36.771 17.675 12.294 274 HB2 LEU 40 HB2 LEU 40 35.656 19.891 11.405 275 HB3 LEU 40 HB1 LEU 40 37.396 19.649 11.259 276 HG LEU 40 HG LEU 40 37.132 18.878 8.953 277 HD11 LEU 40 HD11 LEU 40 34.196 19.166 9.607 278 HD12 LEU 40 HD12 LEU 40 35.038 17.758 8.958 279 HD13 LEU 40 HD13 LEU 40 34.779 19.176 7.943 280 HD21 LEU 40 HD21 LEU 40 35.405 21.256 8.789 281 HD22 LEU 40 HD22 LEU 40 37.032 21.003 8.156 282 HD23 LEU 40 HD23 LEU 40 36.804 21.466 9.843 283 H LEU 41 HN LEU 41 34.916 15.947 10.312 284 HA LEU 41 HA LEU 41 32.508 16.442 11.915 285 HB2 LEU 41 HB2 LEU 41 32.771 16.853 8.989 286 HB3 LEU 41 HB1 LEU 41 31.329 15.995 9.531 287 HG LEU 41 HG LEU 41 32.181 18.531 10.909 288 HD11 LEU 41 HD11 LEU 41 31.034 18.217 8.182 289 HD12 LEU 41 HD12 LEU 41 32.003 19.530 8.851 290 HD13 LEU 41 HD13 LEU 41 30.280 19.431 9.216 291 HD21 LEU 41 HD21 LEU 41 30.228 16.736 11.464 292 HD22 LEU 41 HD22 LEU 41 29.352 17.795 10.358 293 HD23 LEU 41 HD23 LEU 41 30.076 18.456 11.824 294 H GLY 42 HN GLY 42 34.735 14.342 11.319 295 HA2 GLY 42 HA2 GLY 42 32.877 12.047 11.219 296 HA3 GLY 42 HA1 GLY 42 34.344 12.049 10.245 297 H THR 43 HN THR 43 35.103 13.713 12.965 298 HA THR 43 HA THR 43 35.627 11.416 14.687 299 HB THR 43 HB THR 43 38.072 12.924 14.444 300 HG1 THR 43 HG1 THR 43 38.310 11.753 12.231 301 HG21 THR 43 HG21 THR 43 39.016 10.711 14.186 302 HG22 THR 43 HG22 THR 43 37.445 10.047 13.739 303 HG23 THR 43 HG23 THR 43 37.725 10.621 15.383 304 H THR 44 HN THR 44 36.785 14.770 14.273 305 HA THR 44 HA THR 44 37.033 15.488 16.912 306 HB THR 44 HB THR 44 36.209 17.067 14.487 307 HG1 THR 44 HG1 THR 44 38.455 17.478 16.105 308 HG21 THR 44 HG21 THR 44 36.371 17.954 17.360 309 HG22 THR 44 HG22 THR 44 35.133 18.323 16.160 310 HG23 THR 44 HG23 THR 44 36.723 19.077 16.047 311 H GLY 45 HN GLY 45 34.133 14.866 15.141 312 HA2 GLY 45 HA2 GLY 45 32.319 16.304 16.819 313 HA3 GLY 45 HA1 GLY 45 31.896 15.030 15.678 314 H ASN 46 HN ASN 46 32.748 12.780 16.439 315 HA ASN 46 HA ASN 46 31.887 12.449 19.243 316 HB2 ASN 46 HB2 ASN 46 31.258 10.184 18.629 317 HB3 ASN 46 HB1 ASN 46 30.507 11.328 17.518 318 HD21 ASN 46 HD21 ASN 46 33.749 11.309 16.717 319 HD22 ASN 46 HD22 ASN 46 33.720 10.122 15.505 320 H GLY 47 HN GLY 47 33.022 9.568 18.473 321 HA2 GLY 47 HA2 GLY 47 34.830 8.396 19.333 322 HA3 GLY 47 HA1 GLY 47 35.723 9.474 18.266 323 H LEU 48 HN LEU 48 33.902 10.345 21.172 324 HA LEU 48 HA LEU 48 36.399 11.416 22.331 325 HB2 LEU 48 HB2 LEU 48 33.520 12.230 22.511 326 HB3 LEU 48 HB1 LEU 48 34.624 12.640 23.824 327 HG LEU 48 HG LEU 48 35.542 13.182 21.037 328 HD11 LEU 48 HD11 LEU 48 33.470 14.193 20.710 329 HD12 LEU 48 HD12 LEU 48 34.378 15.518 21.440 330 HD13 LEU 48 HD13 LEU 48 33.267 14.564 22.423 331 HD21 LEU 48 HD21 LEU 48 36.585 15.105 22.166 332 HD22 LEU 48 HD22 LEU 48 36.963 13.611 23.026 333 HD23 LEU 48 HD23 LEU 48 35.731 14.705 23.657 334 H VAL 49 HN VAL 49 34.187 8.897 22.603 335 HA VAL 49 HA VAL 49 34.632 8.556 25.491 336 HB VAL 49 HB VAL 49 32.934 6.749 25.287 337 HG11 VAL 49 HG11 VAL 49 31.064 8.229 25.079 338 HG12 VAL 49 HG12 VAL 49 31.953 9.311 24.009 339 HG13 VAL 49 HG13 VAL 49 32.386 9.206 25.716 340 HG21 VAL 49 HG21 VAL 49 32.498 5.889 23.251 341 HG22 VAL 49 HG22 VAL 49 33.543 7.097 22.503 342 HG23 VAL 49 HG23 VAL 49 31.832 7.444 22.753 343 H LEU 50 HN LEU 50 36.422 7.976 22.959 344 HA LEU 50 HA LEU 50 37.403 5.402 24.004 345 HB2 LEU 50 HB2 LEU 50 37.964 4.934 21.479 346 HB3 LEU 50 HB1 LEU 50 36.358 4.568 22.108 347 HG LEU 50 HG LEU 50 35.513 6.715 21.268 348 HD11 LEU 50 HD11 LEU 50 37.365 8.183 21.421 349 HD12 LEU 50 HD12 LEU 50 37.126 7.973 19.687 350 HD13 LEU 50 HD13 LEU 50 38.411 7.091 20.512 351 HD21 LEU 50 HD21 LEU 50 35.759 6.260 18.841 352 HD22 LEU 50 HD22 LEU 50 35.459 4.780 19.751 353 HD23 LEU 50 HD23 LEU 50 37.088 5.157 19.194 354 H TRP 51 HN TRP 51 38.042 8.532 23.550 355 HA TRP 51 HA TRP 51 40.805 8.189 22.610 356 HB2 TRP 51 HB2 TRP 51 40.136 10.084 21.546 357 HB3 TRP 51 HB1 TRP 51 38.882 10.433 22.737 358 HD1 TRP 51 HD1 TRP 51 42.751 10.466 22.552 359 HE1 TRP 51 HE1 TRP 51 43.599 12.451 23.964 360 HE3 TRP 51 HE3 TRP 51 38.311 12.226 24.360 361 HZ2 TRP 51 HZ2 TRP 51 42.536 14.510 25.639 362 HZ3 TRP 51 HZ3 TRP 51 38.257 14.198 25.860 363 HH2 TRP 51 HH2 TRP 51 40.363 15.341 26.501 364 H THR 52 HN THR 52 39.280 10.177 25.153 365 HA THR 52 HA THR 52 41.479 10.566 26.757 366 HB THR 52 HB THR 52 39.674 11.758 27.530 367 HG1 THR 52 HG1 THR 52 39.198 9.486 29.116 368 HG21 THR 52 HG21 THR 52 37.417 10.447 27.916 369 HG22 THR 52 HG22 THR 52 38.134 9.296 26.788 370 HG23 THR 52 HG23 THR 52 37.872 10.968 26.293 371 H VAL 53 HN VAL 53 39.204 7.835 26.863 372 HA VAL 53 HA VAL 53 40.065 6.425 29.030 373 HB VAL 53 HB VAL 53 39.284 5.418 26.292 374 HG11 VAL 53 HG11 VAL 53 38.831 3.266 27.703 375 HG12 VAL 53 HG12 VAL 53 40.029 3.942 28.807 376 HG13 VAL 53 HG13 VAL 53 40.472 3.580 27.140 377 HG21 VAL 53 HG21 VAL 53 37.148 5.519 27.074 378 HG22 VAL 53 HG22 VAL 53 37.811 6.640 28.263 379 HG23 VAL 53 HG23 VAL 53 37.610 4.937 28.674 380 H PHE 54 HN PHE 54 41.803 6.992 26.070 381 HA PHE 54 HA PHE 54 43.799 4.952 26.577 382 HB2 PHE 54 HB2 PHE 54 42.982 6.040 24.292 383 HB3 PHE 54 HB1 PHE 54 44.277 7.182 24.655 384 HD1 PHE 54 HD1 PHE 54 43.510 3.560 24.230 385 HD2 PHE 54 HD2 PHE 54 46.562 6.578 24.395 386 HE1 PHE 54 HE1 PHE 54 45.187 1.906 23.455 387 HE2 PHE 54 HE2 PHE 54 48.239 4.925 23.621 388 HZ PHE 54 HZ PHE 54 47.552 2.588 23.151 389 H ARG 55 HN ARG 55 43.491 8.456 26.915 390 HA ARG 55 HA ARG 55 46.210 8.898 27.684 391 HB2 ARG 55 HB2 ARG 55 43.683 10.515 27.785 392 HB3 ARG 55 HB1 ARG 55 45.127 11.080 28.625 393 HG2 ARG 55 HG2 ARG 55 44.992 11.982 26.316 394 HG3 ARG 55 HG1 ARG 55 46.415 10.964 26.541 395 HD2 ARG 55 HD2 ARG 55 45.458 9.160 25.355 396 HD3 ARG 55 HD1 ARG 55 43.831 9.817 25.497 397 HE ARG 55 HE ARG 55 44.261 11.162 23.643 398 HH11 ARG 55 HH21 ARG 55 47.169 9.777 24.910 399 HH12 ARG 55 HH22 ARG 55 48.155 10.289 23.582 400 HH21 ARG 55 HH11 ARG 55 45.548 11.835 21.897 401 HH22 ARG 55 HH12 ARG 55 47.238 11.454 21.876 402 H LYS 56 HN LYS 56 43.214 8.222 29.409 403 HA LYS 56 HA LYS 56 44.072 8.821 32.019 404 HB2 LYS 56 HB2 LYS 56 42.090 6.739 31.068 405 HB3 LYS 56 HB1 LYS 56 42.268 7.278 32.738 406 HG2 LYS 56 HG2 LYS 56 41.922 9.404 30.683 407 HG3 LYS 56 HG1 LYS 56 40.510 8.408 31.037 408 HD2 LYS 56 HD2 LYS 56 40.580 8.977 33.366 409 HD3 LYS 56 HD1 LYS 56 42.169 9.726 33.197 410 HE2 LYS 56 HE2 LYS 56 39.725 10.719 31.715 411 HE3 LYS 56 HE1 LYS 56 40.206 11.346 33.292 412 HZ1 LYS 56 HZ1 LYS 56 42.367 11.917 32.350 413 HZ2 LYS 56 HZ2 LYS 56 41.107 12.704 31.528 414 HZ3 LYS 56 HZ3 LYS 56 41.868 11.355 30.830 415 H LYS 57 HN LYS 57 44.365 5.878 30.073 416 HA LYS 57 HA LYS 57 45.201 3.999 31.849 417 HB2 LYS 57 HB2 LYS 57 45.373 4.327 29.083 418 HB3 LYS 57 HB1 LYS 57 47.039 4.064 29.599 419 HG2 LYS 57 HG2 LYS 57 44.669 2.302 30.294 420 HG3 LYS 57 HG1 LYS 57 45.938 1.914 29.132 421 HD2 LYS 57 HD2 LYS 57 47.414 2.548 31.352 422 HD3 LYS 57 HD1 LYS 57 45.991 1.800 32.078 423 HE2 LYS 57 HE2 LYS 57 46.274 -0.151 30.562 424 HE3 LYS 57 HE1 LYS 57 47.738 0.589 29.914 425 HZ1 LYS 57 HZ1 LYS 57 48.051 -1.085 31.751 426 HZ2 LYS 57 HZ2 LYS 57 47.370 0.061 32.804 427 HZ3 LYS 57 HZ3 LYS 57 48.811 0.414 31.978 428 H GLY 58 HN GLY 58 47.138 6.685 30.590 429 HA2 GLY 58 HA2 GLY 58 49.063 7.668 31.381 430 HA3 GLY 58 HA1 GLY 58 48.738 6.875 32.919 431 H HIS 59 HN HIS 59 48.788 4.598 30.471 432 HA HIS 59 HA HIS 59 50.285 2.981 29.825 433 HB2 HIS 59 HB2 HIS 59 52.564 4.766 30.622 434 HB3 HIS 59 HB1 HIS 59 52.455 3.636 29.273 435 HD2 HIS 59 HD2 HIS 59 49.504 4.918 28.144 436 HE1 HIS 59 HE1 HIS 59 51.850 8.381 27.570 437 HE2 HIS 59 HE2 HIS 59 49.673 7.233 26.946 438 H HIS 60 HN HIS 60 49.279 2.993 32.491 439 HA HIS 60 HA HIS 60 51.448 2.378 34.299 440 HB2 HIS 60 HB2 HIS 60 48.444 2.218 34.489 441 HB3 HIS 60 HB1 HIS 60 49.490 1.590 35.762 442 HD2 HIS 60 HD2 HIS 60 51.066 4.722 34.262 443 HE1 HIS 60 HE1 HIS 60 48.887 6.036 37.630 444 HE2 HIS 60 HE2 HIS 60 50.614 6.709 35.894 445 H HIS 61 HN HIS 61 51.908 0.800 32.193 446 HA HIS 61 HA HIS 61 50.627 -1.738 32.246 447 HB2 HIS 61 HB2 HIS 61 53.276 -0.793 31.151 448 HB3 HIS 61 HB1 HIS 61 52.727 -2.462 30.997 449 HD2 HIS 61 HD2 HIS 61 50.065 0.385 30.614 450 HE1 HIS 61 HE1 HIS 61 50.773 -1.252 26.786 451 HE2 HIS 61 HE2 HIS 61 49.303 0.337 28.116 452 H HIS 62 HN HIS 62 51.190 -3.640 33.250 453 HA HIS 62 HA HIS 62 52.984 -3.363 35.560 454 HB2 HIS 62 HB2 HIS 62 51.736 -4.985 36.614 455 HB3 HIS 62 HB1 HIS 62 50.503 -4.312 35.546 456 HD2 HIS 62 HD2 HIS 62 49.399 -6.181 33.827 457 HE1 HIS 62 HE1 HIS 62 52.347 -9.174 34.243 458 HE2 HIS 62 HE2 HIS 62 50.106 -8.613 33.188 459 H HIS 63 HN HIS 63 54.823 -4.526 35.787 460 HA HIS 63 HA HIS 63 55.383 -6.885 34.251 461 HB2 HIS 63 HB2 HIS 63 56.549 -4.243 33.431 462 HB3 HIS 63 HB1 HIS 63 57.485 -5.723 33.221 463 HD2 HIS 63 HD2 HIS 63 55.968 -7.760 31.635 464 HE1 HIS 63 HE1 HIS 63 53.749 -4.782 29.626 465 HE2 HIS 63 HE2 HIS 63 54.402 -7.236 29.612 466 H HIS 64 HN HIS 64 55.443 -7.068 36.767 467 HA HIS 64 HA HIS 64 57.455 -6.080 38.367 468 HB2 HIS 64 HB2 HIS 64 55.581 -8.199 38.502 469 HB3 HIS 64 HB1 HIS 64 57.153 -8.879 38.925 470 HD2 HIS 64 HD2 HIS 64 58.395 -7.641 41.226 471 HE1 HIS 64 HE1 HIS 64 54.903 -5.618 42.463 472 HE2 HIS 64 HE2 HIS 64 57.255 -6.288 43.146 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 58.050 -7.220 9.022 2 H2 MET 1 HT2 MET 1 57.651 -6.050 7.855 3 H3 MET 1 HT3 MET 1 56.778 -7.506 7.936 4 HA MET 1 HA MET 1 56.633 -5.143 9.664 5 HB2 MET 1 HB2 MET 1 54.730 -7.052 8.310 6 HB3 MET 1 HB1 MET 1 54.178 -5.973 9.592 7 HG2 MET 1 HG2 MET 1 54.444 -4.087 8.308 8 HG3 MET 1 HG1 MET 1 55.824 -4.750 7.434 9 HE1 MET 1 HE1 MET 1 54.567 -6.569 4.506 10 HE2 MET 1 HE2 MET 1 55.658 -6.759 5.876 11 HE3 MET 1 HE3 MET 1 55.635 -5.241 4.983 12 H GLU 2 HN GLU 2 58.118 -6.324 11.222 13 HA GLU 2 HA GLU 2 56.455 -7.891 13.079 14 HB2 GLU 2 HB2 GLU 2 59.329 -8.649 12.694 15 HB3 GLU 2 HB1 GLU 2 57.991 -9.616 13.316 16 HG2 GLU 2 HG2 GLU 2 56.974 -9.556 11.016 17 HG3 GLU 2 HG1 GLU 2 58.446 -8.777 10.442 18 H GLU 3 HN GLU 3 57.007 -5.164 13.259 19 HA GLU 3 HA GLU 3 59.272 -4.429 14.717 20 HB2 GLU 3 HB2 GLU 3 56.460 -3.334 14.679 21 HB3 GLU 3 HB1 GLU 3 57.749 -2.592 15.627 22 HG2 GLU 3 HG2 GLU 3 59.113 -2.345 13.585 23 HG3 GLU 3 HG1 GLU 3 57.823 -3.081 12.635 24 H GLY 4 HN GLY 4 59.747 -4.318 16.897 25 HA2 GLY 4 HA2 GLY 4 58.425 -4.531 19.165 26 HA3 GLY 4 HA1 GLY 4 58.252 -6.187 18.592 27 H GLY 5 HN GLY 5 61.066 -4.112 18.108 28 HA2 GLY 5 HA2 GLY 5 62.718 -6.114 19.488 29 HA3 GLY 5 HA1 GLY 5 63.302 -4.879 18.375 30 H ASP 6 HN ASP 6 63.134 -5.755 21.571 31 HA ASP 6 HA ASP 6 63.342 -4.631 23.585 32 HB2 ASP 6 HB2 ASP 6 65.317 -3.382 23.688 33 HB3 ASP 6 HB1 ASP 6 65.574 -4.405 22.276 34 H PHE 7 HN PHE 7 61.247 -3.614 21.644 35 HA PHE 7 HA PHE 7 59.818 -1.819 21.402 36 HB2 PHE 7 HB2 PHE 7 60.438 -1.006 24.208 37 HB3 PHE 7 HB1 PHE 7 58.877 -1.161 23.402 38 HD1 PHE 7 HD2 PHE 7 58.972 -3.840 22.249 39 HD2 PHE 7 HD1 PHE 7 60.394 -2.454 26.057 40 HE1 PHE 7 HE2 PHE 7 58.720 -6.127 23.176 41 HE2 PHE 7 HE1 PHE 7 60.143 -4.739 26.983 42 HZ PHE 7 HZ PHE 7 59.306 -6.577 25.543 43 H ASP 8 HN ASP 8 62.272 -1.195 20.367 44 HA ASP 8 HA ASP 8 63.650 0.998 21.335 45 HB2 ASP 8 HB2 ASP 8 64.172 -0.369 19.264 46 HB3 ASP 8 HB1 ASP 8 62.969 0.604 18.419 47 H ASN 9 HN ASN 9 63.571 3.265 20.621 48 HA ASN 9 HA ASN 9 60.884 4.313 20.892 49 HB2 ASN 9 HB2 ASN 9 62.165 6.538 20.708 50 HB3 ASN 9 HB1 ASN 9 62.494 5.524 22.113 51 HD21 ASN 9 HD21 ASN 9 63.697 5.048 18.765 52 HD22 ASN 9 HD22 ASN 9 65.337 5.197 19.173 53 H TYR 10 HN TYR 10 62.465 3.093 18.333 54 HA TYR 10 HA TYR 10 62.157 3.244 16.062 55 HB2 TYR 10 HB2 TYR 10 60.021 5.311 16.500 56 HB3 TYR 10 HB1 TYR 10 60.117 4.060 15.262 57 HD1 TYR 10 HD1 TYR 10 60.059 1.589 16.081 58 HD2 TYR 10 HD2 TYR 10 58.776 4.932 18.454 59 HE1 TYR 10 HE1 TYR 10 58.739 0.061 17.520 60 HE2 TYR 10 HE2 TYR 10 57.454 3.404 19.892 61 HH TYR 10 HH TYR 10 56.398 1.160 19.706 62 H TYR 11 HN TYR 11 61.326 6.544 17.133 63 HA TYR 11 HA TYR 11 62.372 8.564 16.765 64 HB2 TYR 11 HB2 TYR 11 64.472 6.844 17.091 65 HB3 TYR 11 HB1 TYR 11 64.776 7.467 15.468 66 HD1 TYR 11 HD2 TYR 11 63.754 10.190 15.565 67 HD2 TYR 11 HD1 TYR 11 65.913 7.984 18.552 68 HE1 TYR 11 HE2 TYR 11 64.584 12.315 16.535 69 HE2 TYR 11 HE1 TYR 11 66.743 10.109 19.522 70 HH TYR 11 HH TYR 11 67.040 12.364 19.022 71 H GLY 12 HN GLY 12 61.161 9.463 15.187 72 HA2 GLY 12 HA2 GLY 12 60.711 10.313 13.087 73 HA3 GLY 12 HA1 GLY 12 62.186 9.542 12.514 74 H ALA 13 HN ALA 13 61.828 6.929 12.839 75 HA ALA 13 HA ALA 13 60.955 5.144 11.658 76 HB1 ALA 13 HB1 ALA 13 58.222 6.047 12.452 77 HB2 ALA 13 HB2 ALA 13 59.382 5.679 13.727 78 HB3 ALA 13 HB3 ALA 13 58.947 4.442 12.547 79 H ASP 14 HN ASP 14 61.301 7.516 10.076 80 HA ASP 14 HA ASP 14 60.614 8.505 8.106 81 HB2 ASP 14 HB2 ASP 14 61.075 5.938 7.654 82 HB3 ASP 14 HB1 ASP 14 59.341 5.916 7.333 83 H ASN 15 HN ASN 15 58.594 8.197 10.419 84 HA ASN 15 HA ASN 15 56.014 8.017 9.203 85 HB2 ASN 15 HB2 ASN 15 56.937 7.993 11.782 86 HB3 ASN 15 HB1 ASN 15 56.218 9.598 11.674 87 HD21 ASN 15 HD21 ASN 15 53.919 9.743 11.560 88 HD22 ASN 15 HD22 ASN 15 52.903 8.384 11.601 89 H GLN 16 HN GLN 16 58.177 10.686 10.043 90 HA GLN 16 HA GLN 16 56.269 12.600 8.876 91 HB2 GLN 16 HB2 GLN 16 58.838 13.471 10.119 92 HB3 GLN 16 HB1 GLN 16 57.253 14.243 10.153 93 HG2 GLN 16 HG2 GLN 16 56.481 12.269 11.585 94 HG3 GLN 16 HG1 GLN 16 58.186 11.850 11.747 95 HE21 GLN 16 HE21 GLN 16 59.016 14.747 11.720 96 HE22 GLN 16 HE22 GLN 16 58.587 15.345 13.250 97 H SER 17 HN SER 17 57.536 10.851 7.089 98 HA SER 17 HA SER 17 58.807 12.759 5.335 99 HB2 SER 17 HB2 SER 17 60.904 12.293 6.061 100 HB3 SER 17 HB1 SER 17 60.399 10.812 6.872 101 HG SER 17 HG SER 17 60.202 9.931 4.676 102 H GLU 18 HN GLU 18 58.547 12.201 3.222 103 HA GLU 18 HA GLU 18 57.417 11.161 1.500 104 HB2 GLU 18 HB2 GLU 18 59.759 9.879 2.147 105 HB3 GLU 18 HB1 GLU 18 58.604 8.549 2.132 106 HG2 GLU 18 HG2 GLU 18 59.346 8.703 -0.108 107 HG3 GLU 18 HG1 GLU 18 57.787 9.521 -0.108 108 H CYS 19 HN CYS 19 55.904 11.201 3.921 109 HA CYS 19 HA CYS 19 54.555 8.581 3.917 110 HB2 CYS 19 HB2 CYS 19 55.336 9.792 6.075 111 HB3 CYS 19 HB1 CYS 19 53.937 10.832 5.812 112 HG CYS 19 HG CYS 19 53.262 8.707 7.278 113 H GLU 20 HN GLU 20 53.369 8.774 2.003 114 HA GLU 20 HA GLU 20 51.576 9.354 0.691 115 HB2 GLU 20 HB2 GLU 20 50.368 10.688 3.103 116 HB3 GLU 20 HB1 GLU 20 49.557 9.828 1.794 117 HG2 GLU 20 HG2 GLU 20 50.881 7.757 2.602 118 HG3 GLU 20 HG1 GLU 20 51.165 8.684 4.074 119 H TYR 21 HN TYR 21 53.831 11.306 1.289 120 HA TYR 21 HA TYR 21 52.454 13.847 0.726 121 HB2 TYR 21 HB2 TYR 21 55.228 13.159 1.683 122 HB3 TYR 21 HB1 TYR 21 54.840 14.760 1.052 123 HD1 TYR 21 HD1 TYR 21 52.858 16.020 2.093 124 HD2 TYR 21 HD2 TYR 21 54.677 12.576 3.903 125 HE1 TYR 21 HE1 TYR 21 51.863 16.643 4.277 126 HE2 TYR 21 HE2 TYR 21 53.682 13.199 6.088 127 HH TYR 21 HH TYR 21 52.708 14.940 7.233 128 H THR 22 HN THR 22 53.226 11.408 -1.091 129 HA THR 22 HA THR 22 53.702 12.986 -3.438 130 HB THR 22 HB THR 22 55.973 13.017 -3.111 131 HG1 THR 22 HG1 THR 22 55.622 11.732 -4.945 132 HG21 THR 22 HG21 THR 22 57.103 10.944 -1.984 133 HG22 THR 22 HG22 THR 22 55.465 10.567 -1.448 134 HG23 THR 22 HG23 THR 22 56.218 12.091 -0.979 135 H ASP 23 HN ASP 23 53.971 9.722 -2.040 136 HA ASP 23 HA ASP 23 53.277 8.381 -4.468 137 HB2 ASP 23 HB2 ASP 23 53.042 7.321 -1.646 138 HB3 ASP 23 HB1 ASP 23 53.197 6.383 -3.131 139 H TRP 24 HN TRP 24 51.424 10.439 -3.973 140 HA TRP 24 HA TRP 24 48.965 8.931 -4.111 141 HB2 TRP 24 HB2 TRP 24 47.853 9.858 -2.234 142 HB3 TRP 24 HB1 TRP 24 49.415 9.314 -1.623 143 HD1 TRP 24 HD1 TRP 24 51.387 11.449 -2.034 144 HE1 TRP 24 HE1 TRP 24 51.121 13.865 -1.171 145 HE3 TRP 24 HE3 TRP 24 46.317 11.628 -1.446 146 HZ2 TRP 24 HZ2 TRP 24 49.037 15.637 -0.341 147 HZ3 TRP 24 HZ3 TRP 24 45.218 13.688 -0.618 148 HH2 TRP 24 HH2 TRP 24 46.571 15.693 -0.066 149 H LYS 25 HN LYS 25 50.508 12.111 -3.840 150 HA LYS 25 HA LYS 25 49.928 14.158 -4.754 151 HB2 LYS 25 HB2 LYS 25 49.605 12.219 -7.048 152 HB3 LYS 25 HB1 LYS 25 49.547 13.969 -7.253 153 HG2 LYS 25 HG2 LYS 25 51.846 12.823 -5.728 154 HG3 LYS 25 HG1 LYS 25 51.841 12.628 -7.481 155 HD2 LYS 25 HD2 LYS 25 51.953 14.919 -7.875 156 HD3 LYS 25 HD1 LYS 25 51.237 15.325 -6.315 157 HE2 LYS 25 HE2 LYS 25 53.255 14.819 -5.146 158 HE3 LYS 25 HE1 LYS 25 53.954 14.022 -6.554 159 HZ1 LYS 25 HZ1 LYS 25 53.164 16.860 -6.672 160 HZ2 LYS 25 HZ2 LYS 25 54.294 16.024 -7.628 161 HZ3 LYS 25 HZ3 LYS 25 54.663 16.413 -6.015 162 H SER 26 HN SER 26 47.737 12.584 -6.952 163 HA SER 26 HA SER 26 45.341 12.931 -5.467 164 HB2 SER 26 HB2 SER 26 44.476 14.939 -6.292 165 HB3 SER 26 HB1 SER 26 46.161 15.345 -5.985 166 HG SER 26 HG SER 26 46.011 14.301 -8.409 167 H SER 27 HN SER 27 43.907 11.594 -6.357 168 HA SER 27 HA SER 27 44.320 10.753 -9.151 169 HB2 SER 27 HB2 SER 27 42.692 8.893 -8.410 170 HB3 SER 27 HB1 SER 27 44.331 8.853 -7.769 171 HG SER 27 HG SER 27 42.177 10.148 -6.457 172 H GLY 28 HN GLY 28 43.229 13.164 -9.160 173 HA2 GLY 28 HA2 GLY 28 41.189 13.412 -10.725 174 HA3 GLY 28 HA1 GLY 28 40.303 12.828 -9.319 175 H ALA 29 HN ALA 29 42.224 14.265 -7.513 176 HA ALA 29 HA ALA 29 42.568 16.368 -6.608 177 HB1 ALA 29 HB1 ALA 29 42.533 18.223 -7.952 178 HB2 ALA 29 HB2 ALA 29 41.016 17.766 -8.727 179 HB3 ALA 29 HB3 ALA 29 42.524 16.989 -9.212 180 H LEU 30 HN LEU 30 40.439 14.708 -5.878 181 HA LEU 30 HA LEU 30 38.468 16.726 -5.031 182 HB2 LEU 30 HB2 LEU 30 36.639 15.126 -5.395 183 HB3 LEU 30 HB1 LEU 30 37.474 15.479 -6.908 184 HG LEU 30 HG LEU 30 38.872 13.319 -5.757 185 HD11 LEU 30 HD11 LEU 30 36.824 13.052 -4.307 186 HD12 LEU 30 HD12 LEU 30 37.168 11.658 -5.330 187 HD13 LEU 30 HD13 LEU 30 35.888 12.787 -5.779 188 HD21 LEU 30 HD21 LEU 30 36.778 13.353 -7.956 189 HD22 LEU 30 HD22 LEU 30 38.013 12.114 -7.731 190 HD23 LEU 30 HD23 LEU 30 38.482 13.758 -8.165 191 H ILE 31 HN ILE 31 40.812 14.922 -3.976 192 HA ILE 31 HA ILE 31 39.517 13.375 -1.914 193 HB ILE 31 HB ILE 31 42.444 14.083 -1.951 194 HG12 ILE 31 HG12 ILE 31 42.220 11.637 -3.220 195 HG13 ILE 31 HG11 ILE 31 40.895 12.555 -3.933 196 HG21 ILE 31 HG21 ILE 31 41.215 11.435 -1.267 197 HG22 ILE 31 HG22 ILE 31 41.120 12.754 -0.101 198 HG23 ILE 31 HG23 ILE 31 42.693 12.173 -0.647 199 HD11 ILE 31 HD11 ILE 31 43.791 13.447 -3.782 200 HD12 ILE 31 HD12 ILE 31 42.470 14.393 -4.469 201 HD13 ILE 31 HD13 ILE 31 42.960 12.880 -5.230 202 HA PRO 32 HA PRO 32 41.371 17.116 0.673 203 HB2 PRO 32 HB2 PRO 32 40.515 19.317 -1.121 204 HB3 PRO 32 HB1 PRO 32 42.019 19.132 -0.198 205 HG2 PRO 32 HG2 PRO 32 41.947 18.852 -2.854 206 HG3 PRO 32 HG1 PRO 32 43.028 17.888 -1.833 207 HD2 PRO 32 HD2 PRO 32 40.467 17.079 -3.159 208 HD3 PRO 32 HD1 PRO 32 41.947 16.132 -2.890 209 H ALA 33 HN ALA 33 38.530 17.295 -1.407 210 HA ALA 33 HA ALA 33 36.889 18.774 0.398 211 HB1 ALA 33 HB1 ALA 33 35.018 17.859 -1.044 212 HB2 ALA 33 HB2 ALA 33 36.251 16.988 -1.954 213 HB3 ALA 33 HB3 ALA 33 36.268 18.750 -1.911 214 H ILE 34 HN ILE 34 36.722 15.332 -0.553 215 HA ILE 34 HA ILE 34 34.918 14.498 1.389 216 HB ILE 34 HB ILE 34 37.222 12.953 0.176 217 HG12 ILE 34 HG12 ILE 34 34.320 12.795 -0.614 218 HG13 ILE 34 HG11 ILE 34 35.351 14.061 -1.282 219 HG21 ILE 34 HG21 ILE 34 35.151 12.264 2.138 220 HG22 ILE 34 HG22 ILE 34 36.616 11.386 1.698 221 HG23 ILE 34 HG23 ILE 34 35.152 11.200 0.731 222 HD11 ILE 34 HD11 ILE 34 36.943 12.338 -2.073 223 HD12 ILE 34 HD12 ILE 34 35.337 12.092 -2.760 224 HD13 ILE 34 HD13 ILE 34 35.892 11.078 -1.426 225 H TYR 35 HN TYR 35 38.374 15.060 1.623 226 HA TYR 35 HA TYR 35 38.641 13.841 4.222 227 HB2 TYR 35 HB2 TYR 35 40.584 13.897 2.801 228 HB3 TYR 35 HB1 TYR 35 40.459 15.647 2.617 229 HD1 TYR 35 HD1 TYR 35 40.896 17.149 4.556 230 HD2 TYR 35 HD2 TYR 35 41.545 12.909 4.773 231 HE1 TYR 35 HE1 TYR 35 42.267 17.464 6.598 232 HE2 TYR 35 HE2 TYR 35 42.916 13.223 6.816 233 HH TYR 35 HH TYR 35 43.112 14.940 8.649 234 H MET 36 HN MET 36 37.516 16.837 3.044 235 HA MET 36 HA MET 36 38.132 18.314 5.481 236 HB2 MET 36 HB2 MET 36 38.220 19.468 3.306 237 HB3 MET 36 HB1 MET 36 36.512 19.112 3.050 238 HG2 MET 36 HG2 MET 36 35.881 20.849 4.339 239 HG3 MET 36 HG1 MET 36 36.940 20.330 5.652 240 HE1 MET 36 HE1 MET 36 36.748 22.017 2.184 241 HE2 MET 36 HE2 MET 36 37.543 23.549 2.537 242 HE3 MET 36 HE3 MET 36 36.099 23.086 3.437 243 H LEU 37 HN LEU 37 35.296 17.001 3.800 244 HA LEU 37 HA LEU 37 33.438 17.888 5.803 245 HB2 LEU 37 HB2 LEU 37 33.016 15.698 3.763 246 HB3 LEU 37 HB1 LEU 37 31.788 16.686 4.555 247 HG LEU 37 HG LEU 37 33.908 17.685 2.630 248 HD11 LEU 37 HD11 LEU 37 31.153 18.216 1.928 249 HD12 LEU 37 HD12 LEU 37 31.394 16.487 2.171 250 HD13 LEU 37 HD13 LEU 37 32.385 17.359 1.003 251 HD21 LEU 37 HD21 LEU 37 31.908 19.044 4.410 252 HD22 LEU 37 HD22 LEU 37 32.298 19.768 2.849 253 HD23 LEU 37 HD23 LEU 37 33.569 19.509 4.043 254 H VAL 38 HN VAL 38 35.816 16.103 6.500 255 HA VAL 38 HA VAL 38 34.282 14.266 8.202 256 HB VAL 38 HB VAL 38 36.582 13.446 6.414 257 HG11 VAL 38 HG11 VAL 38 37.065 12.185 8.282 258 HG12 VAL 38 HG12 VAL 38 35.817 11.156 7.577 259 HG13 VAL 38 HG13 VAL 38 35.411 12.261 8.891 260 HG21 VAL 38 HG21 VAL 38 34.476 13.422 5.237 261 HG22 VAL 38 HG22 VAL 38 33.659 12.663 6.602 262 HG23 VAL 38 HG23 VAL 38 34.847 11.753 5.669 263 H PHE 39 HN PHE 39 36.890 16.388 7.667 264 HA PHE 39 HA PHE 39 38.529 15.517 9.877 265 HB2 PHE 39 HB2 PHE 39 39.740 16.618 8.193 266 HB3 PHE 39 HB1 PHE 39 38.541 17.904 8.046 267 HD1 PHE 39 HD1 PHE 39 40.483 16.361 10.869 268 HD2 PHE 39 HD2 PHE 39 39.301 19.961 8.844 269 HE1 PHE 39 HE1 PHE 39 41.732 17.709 12.534 270 HE2 PHE 39 HE2 PHE 39 40.550 21.306 10.509 271 HZ PHE 39 HZ PHE 39 41.766 20.181 12.354 272 H LEU 40 HN LEU 40 35.675 17.329 9.551 273 HA LEU 40 HA LEU 40 35.907 18.217 12.349 274 HB2 LEU 40 HB2 LEU 40 34.740 20.348 11.693 275 HB3 LEU 40 HB1 LEU 40 36.392 20.208 11.089 276 HG LEU 40 HG LEU 40 34.423 19.040 9.266 277 HD11 LEU 40 HD11 LEU 40 33.598 21.294 8.496 278 HD12 LEU 40 HD12 LEU 40 34.270 21.983 9.974 279 HD13 LEU 40 HD13 LEU 40 32.966 20.799 10.067 280 HD21 LEU 40 HD21 LEU 40 36.505 21.231 8.973 281 HD22 LEU 40 HD22 LEU 40 35.703 20.389 7.647 282 HD23 LEU 40 HD23 LEU 40 36.794 19.510 8.717 283 H LEU 41 HN LEU 41 34.188 16.673 9.912 284 HA LEU 41 HA LEU 41 31.800 16.543 11.629 285 HB2 LEU 41 HB2 LEU 41 31.912 17.313 8.728 286 HB3 LEU 41 HB1 LEU 41 30.488 16.500 9.379 287 HG LEU 41 HG LEU 41 31.599 18.837 10.883 288 HD11 LEU 41 HD11 LEU 41 31.523 19.642 8.566 289 HD12 LEU 41 HD12 LEU 41 30.212 20.364 9.499 290 HD13 LEU 41 HD13 LEU 41 29.878 19.032 8.392 291 HD21 LEU 41 HD21 LEU 41 29.457 18.939 11.771 292 HD22 LEU 41 HD22 LEU 41 29.559 17.216 11.413 293 HD23 LEU 41 HD23 LEU 41 28.708 18.295 10.309 294 H GLY 42 HN GLY 42 33.353 14.549 11.961 295 HA2 GLY 42 HA2 GLY 42 32.030 12.255 11.132 296 HA3 GLY 42 HA1 GLY 42 33.349 12.494 9.988 297 H THR 43 HN THR 43 34.969 13.812 12.141 298 HA THR 43 HA THR 43 35.674 11.416 13.725 299 HB THR 43 HB THR 43 37.408 13.205 12.057 300 HG1 THR 43 HG1 THR 43 36.913 11.219 11.218 301 HG21 THR 43 HG21 THR 43 38.128 11.858 14.653 302 HG22 THR 43 HG22 THR 43 38.529 13.487 14.106 303 HG23 THR 43 HG23 THR 43 39.336 12.093 13.391 304 H THR 44 HN THR 44 36.028 14.945 13.434 305 HA THR 44 HA THR 44 37.052 15.601 15.887 306 HB THR 44 HB THR 44 35.033 16.953 14.126 307 HG1 THR 44 HG1 THR 44 37.727 17.173 14.819 308 HG21 THR 44 HG21 THR 44 34.249 17.738 16.197 309 HG22 THR 44 HG22 THR 44 35.439 18.955 15.734 310 HG23 THR 44 HG23 THR 44 35.858 17.717 16.918 311 H GLY 45 HN GLY 45 33.816 14.485 15.141 312 HA2 GLY 45 HA2 GLY 45 32.287 15.176 17.274 313 HA3 GLY 45 HA1 GLY 45 32.233 13.564 16.567 314 H ASN 46 HN ASN 46 33.606 11.911 17.457 315 HA ASN 46 HA ASN 46 34.886 12.474 20.026 316 HB2 ASN 46 HB2 ASN 46 32.263 11.564 19.975 317 HB3 ASN 46 HB1 ASN 46 33.209 10.096 20.213 318 HD21 ASN 46 HD21 ASN 46 33.596 13.492 21.396 319 HD22 ASN 46 HD22 ASN 46 33.750 13.050 23.027 320 H GLY 47 HN GLY 47 35.373 11.388 17.157 321 HA2 GLY 47 HA2 GLY 47 36.414 8.721 17.735 322 HA3 GLY 47 HA1 GLY 47 36.398 9.520 16.166 323 H LEU 48 HN LEU 48 37.626 10.830 19.214 324 HA LEU 48 HA LEU 48 40.252 11.178 17.927 325 HB2 LEU 48 HB2 LEU 48 39.253 12.424 20.495 326 HB3 LEU 48 HB1 LEU 48 40.667 12.897 19.553 327 HG LEU 48 HG LEU 48 37.788 13.052 18.612 328 HD11 LEU 48 HD11 LEU 48 39.032 15.573 18.565 329 HD12 LEU 48 HD12 LEU 48 39.488 14.862 20.113 330 HD13 LEU 48 HD13 LEU 48 37.785 15.032 19.688 331 HD21 LEU 48 HD21 LEU 48 40.453 13.514 17.298 332 HD22 LEU 48 HD22 LEU 48 39.061 14.475 16.797 333 HD23 LEU 48 HD23 LEU 48 39.018 12.717 16.651 334 H VAL 49 HN VAL 49 38.696 9.081 19.986 335 HA VAL 49 HA VAL 49 41.092 8.525 21.601 336 HB VAL 49 HB VAL 49 38.235 7.554 21.819 337 HG11 VAL 49 HG11 VAL 49 39.412 5.713 22.627 338 HG12 VAL 49 HG12 VAL 49 39.275 6.693 24.087 339 HG13 VAL 49 HG13 VAL 49 40.777 6.693 23.163 340 HG21 VAL 49 HG21 VAL 49 38.055 8.995 23.653 341 HG22 VAL 49 HG22 VAL 49 39.064 9.939 22.558 342 HG23 VAL 49 HG23 VAL 49 39.799 9.060 23.898 343 H LEU 50 HN LEU 50 39.788 7.633 18.698 344 HA LEU 50 HA LEU 50 41.226 5.063 18.759 345 HB2 LEU 50 HB2 LEU 50 39.318 4.237 17.193 346 HB3 LEU 50 HB1 LEU 50 39.042 4.247 18.936 347 HG LEU 50 HG LEU 50 38.383 6.769 17.527 348 HD11 LEU 50 HD11 LEU 50 37.471 5.343 15.857 349 HD12 LEU 50 HD12 LEU 50 36.111 5.733 16.911 350 HD13 LEU 50 HD13 LEU 50 36.917 4.170 17.052 351 HD21 LEU 50 HD21 LEU 50 36.701 6.889 19.178 352 HD22 LEU 50 HD22 LEU 50 38.025 6.072 20.009 353 HD23 LEU 50 HD23 LEU 50 36.661 5.139 19.392 354 H TRP 51 HN TRP 51 41.176 8.009 17.526 355 HA TRP 51 HA TRP 51 41.516 7.303 14.706 356 HB2 TRP 51 HB2 TRP 51 40.383 9.313 14.790 357 HB3 TRP 51 HB1 TRP 51 41.226 9.848 16.244 358 HD1 TRP 51 HD1 TRP 51 42.392 8.857 12.680 359 HE1 TRP 51 HE1 TRP 51 44.068 10.641 11.869 360 HE3 TRP 51 HE3 TRP 51 42.397 11.971 16.727 361 HZ2 TRP 51 HZ2 TRP 51 45.254 13.067 12.811 362 HZ3 TRP 51 HZ3 TRP 51 43.808 14.008 16.744 363 HH2 TRP 51 HH2 TRP 51 45.235 14.559 14.793 364 H THR 52 HN THR 52 43.388 9.592 16.662 365 HA THR 52 HA THR 52 45.818 9.020 15.313 366 HB THR 52 HB THR 52 45.401 11.178 16.409 367 HG1 THR 52 HG1 THR 52 47.448 10.382 17.995 368 HG21 THR 52 HG21 THR 52 45.666 9.657 19.015 369 HG22 THR 52 HG22 THR 52 44.126 10.189 18.340 370 HG23 THR 52 HG23 THR 52 45.338 11.378 18.818 371 H VAL 53 HN VAL 53 44.339 7.791 18.250 372 HA VAL 53 HA VAL 53 46.581 6.546 19.402 373 HB VAL 53 HB VAL 53 43.660 5.756 19.489 374 HG11 VAL 53 HG11 VAL 53 46.081 4.820 21.041 375 HG12 VAL 53 HG12 VAL 53 44.905 3.838 20.167 376 HG13 VAL 53 HG13 VAL 53 44.440 4.647 21.664 377 HG21 VAL 53 HG21 VAL 53 45.106 7.951 20.582 378 HG22 VAL 53 HG22 VAL 53 44.743 6.855 21.915 379 HG23 VAL 53 HG23 VAL 53 43.437 7.487 20.914 380 H PHE 54 HN PHE 54 44.499 5.610 16.752 381 HA PHE 54 HA PHE 54 45.173 2.867 16.626 382 HB2 PHE 54 HB2 PHE 54 43.393 4.395 15.315 383 HB3 PHE 54 HB1 PHE 54 44.660 4.326 14.091 384 HD1 PHE 54 HD2 PHE 54 42.243 2.363 16.059 385 HD2 PHE 54 HD1 PHE 54 45.308 2.214 13.054 386 HE1 PHE 54 HE2 PHE 54 41.542 0.061 15.459 387 HE2 PHE 54 HE1 PHE 54 44.606 -0.088 12.453 388 HZ PHE 54 HZ PHE 54 42.723 -1.164 13.656 389 H ARG 55 HN ARG 55 46.750 5.768 15.431 390 HA ARG 55 HA ARG 55 48.622 4.424 13.737 391 HB2 ARG 55 HB2 ARG 55 48.457 7.192 14.908 392 HB3 ARG 55 HB1 ARG 55 49.872 6.667 13.995 393 HG2 ARG 55 HG2 ARG 55 48.197 7.806 12.550 394 HG3 ARG 55 HG1 ARG 55 48.469 6.132 12.064 395 HD2 ARG 55 HD2 ARG 55 46.422 5.407 12.971 396 HD3 ARG 55 HD1 ARG 55 46.268 6.831 13.996 397 HE ARG 55 HE ARG 55 45.265 7.920 12.215 398 HH11 ARG 55 HH21 ARG 55 47.049 5.165 11.123 399 HH12 ARG 55 HH22 ARG 55 46.504 5.289 9.483 400 HH21 ARG 55 HH11 ARG 55 44.546 8.090 10.067 401 HH22 ARG 55 HH12 ARG 55 45.087 6.945 8.885 402 H LYS 56 HN LYS 56 48.297 4.582 17.073 403 HA LYS 56 HA LYS 56 51.184 4.313 17.571 404 HB2 LYS 56 HB2 LYS 56 48.809 4.984 19.255 405 HB3 LYS 56 HB1 LYS 56 50.196 4.216 20.029 406 HG2 LYS 56 HG2 LYS 56 50.323 6.713 20.067 407 HG3 LYS 56 HG1 LYS 56 51.678 5.970 19.215 408 HD2 LYS 56 HD2 LYS 56 50.872 6.601 17.112 409 HD3 LYS 56 HD1 LYS 56 49.215 6.776 17.690 410 HE2 LYS 56 HE2 LYS 56 49.593 8.877 18.566 411 HE3 LYS 56 HE1 LYS 56 51.296 8.551 18.891 412 HZ1 LYS 56 HZ1 LYS 56 50.028 9.548 16.485 413 HZ2 LYS 56 HZ2 LYS 56 51.229 8.373 16.230 414 HZ3 LYS 56 HZ3 LYS 56 51.600 9.802 17.071 415 H LYS 57 HN LYS 57 48.149 2.690 18.537 416 HA LYS 57 HA LYS 57 49.082 0.426 19.713 417 HB2 LYS 57 HB2 LYS 57 46.693 0.880 19.411 418 HB3 LYS 57 HB1 LYS 57 46.839 0.564 17.682 419 HG2 LYS 57 HG2 LYS 57 47.125 -1.719 17.980 420 HG3 LYS 57 HG1 LYS 57 47.783 -1.528 19.606 421 HD2 LYS 57 HD2 LYS 57 44.957 -0.677 19.135 422 HD3 LYS 57 HD1 LYS 57 45.296 -2.406 19.221 423 HE2 LYS 57 HE2 LYS 57 46.314 -0.482 21.315 424 HE3 LYS 57 HE1 LYS 57 44.721 -1.230 21.436 425 HZ1 LYS 57 HZ1 LYS 57 46.732 -3.139 20.788 426 HZ2 LYS 57 HZ2 LYS 57 45.621 -3.138 22.074 427 HZ3 LYS 57 HZ3 LYS 57 47.106 -2.326 22.229 428 H GLY 58 HN GLY 58 49.097 1.156 16.267 429 HA2 GLY 58 HA2 GLY 58 50.453 0.273 14.602 430 HA3 GLY 58 HA1 GLY 58 51.157 -0.811 15.799 431 H HIS 59 HN HIS 59 49.834 -2.682 16.470 432 HA HIS 59 HA HIS 59 47.566 -3.495 14.937 433 HB2 HIS 59 HB2 HIS 59 49.071 -5.560 14.072 434 HB3 HIS 59 HB1 HIS 59 48.769 -4.118 13.102 435 HD2 HIS 59 HD2 HIS 59 51.356 -4.051 16.081 436 HE1 HIS 59 HE1 HIS 59 53.478 -3.600 12.460 437 HE2 HIS 59 HE2 HIS 59 53.678 -3.564 14.991 438 H HIS 60 HN HIS 60 46.449 -4.685 16.330 439 HA HIS 60 HA HIS 60 47.664 -6.885 17.750 440 HB2 HIS 60 HB2 HIS 60 47.884 -4.517 19.055 441 HB3 HIS 60 HB1 HIS 60 46.304 -5.051 19.629 442 HD2 HIS 60 HD2 HIS 60 47.262 -8.358 19.594 443 HE1 HIS 60 HE1 HIS 60 49.881 -7.019 22.623 444 HE2 HIS 60 HE2 HIS 60 48.812 -9.069 21.572 445 H HIS 61 HN HIS 61 44.848 -4.729 17.516 446 HA HIS 61 HA HIS 61 42.853 -6.286 18.563 447 HB2 HIS 61 HB2 HIS 61 42.988 -4.025 16.892 448 HB3 HIS 61 HB1 HIS 61 41.941 -5.175 16.061 449 HD2 HIS 61 HD2 HIS 61 40.199 -6.436 18.436 450 HE1 HIS 61 HE1 HIS 61 39.543 -2.488 19.780 451 HE2 HIS 61 HE2 HIS 61 38.729 -4.888 19.939 452 H HIS 62 HN HIS 62 41.278 -7.716 17.588 453 HA HIS 62 HA HIS 62 42.169 -9.140 15.178 454 HB2 HIS 62 HB2 HIS 62 41.885 -11.317 16.273 455 HB3 HIS 62 HB1 HIS 62 43.126 -10.368 17.091 456 HD2 HIS 62 HD2 HIS 62 40.767 -12.634 18.467 457 HE1 HIS 62 HE1 HIS 62 39.978 -9.210 20.808 458 HE2 HIS 62 HE2 HIS 62 39.649 -11.722 20.643 459 H HIS 63 HN HIS 63 40.393 -11.072 14.928 460 HA HIS 63 HA HIS 63 37.723 -10.385 15.690 461 HB2 HIS 63 HB2 HIS 63 37.964 -8.620 14.058 462 HB3 HIS 63 HB1 HIS 63 38.608 -9.751 12.867 463 HD2 HIS 63 HD2 HIS 63 35.286 -10.212 15.020 464 HE1 HIS 63 HE1 HIS 63 34.333 -10.486 10.918 465 HE2 HIS 63 HE2 HIS 63 33.399 -10.662 13.272 466 H HIS 64 HN HIS 64 38.534 -12.703 16.214 467 HA HIS 64 HA HIS 64 38.928 -14.746 14.466 468 HB2 HIS 64 HB2 HIS 64 38.805 -15.057 16.902 469 HB3 HIS 64 HB1 HIS 64 37.059 -14.816 16.848 470 HD2 HIS 64 HD2 HIS 64 37.151 -17.667 17.807 471 HE1 HIS 64 HE1 HIS 64 37.721 -19.111 13.881 472 HE2 HIS 64 HE2 HIS 64 37.101 -19.767 16.254 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 52.817 -14.688 -33.467 2 H2 MET 1 HT2 MET 1 52.171 -16.258 -33.547 3 H3 MET 1 HT3 MET 1 52.975 -15.736 -32.143 4 HA MET 1 HA MET 1 51.241 -14.478 -31.413 5 HB2 MET 1 HB2 MET 1 50.261 -14.387 -34.283 6 HB3 MET 1 HB1 MET 1 49.549 -13.523 -32.919 7 HG2 MET 1 HG2 MET 1 52.185 -12.775 -32.738 8 HG3 MET 1 HG1 MET 1 51.963 -12.891 -34.484 9 HE1 MET 1 HE1 MET 1 51.264 -10.419 -31.368 10 HE2 MET 1 HE2 MET 1 50.469 -11.989 -31.270 11 HE3 MET 1 HE3 MET 1 49.502 -10.532 -31.485 12 H GLU 2 HN GLU 2 51.151 -16.786 -30.631 13 HA GLU 2 HA GLU 2 48.932 -18.316 -31.813 14 HB2 GLU 2 HB2 GLU 2 51.111 -19.056 -29.857 15 HB3 GLU 2 HB1 GLU 2 49.753 -20.118 -30.232 16 HG2 GLU 2 HG2 GLU 2 51.219 -18.962 -32.548 17 HG3 GLU 2 HG1 GLU 2 52.066 -20.192 -31.611 18 H GLU 3 HN GLU 3 47.548 -16.504 -30.876 19 HA GLU 3 HA GLU 3 47.151 -15.981 -28.206 20 HB2 GLU 3 HB2 GLU 3 45.036 -16.321 -30.346 21 HB3 GLU 3 HB1 GLU 3 44.787 -15.527 -28.791 22 HG2 GLU 3 HG2 GLU 3 46.306 -13.776 -29.323 23 HG3 GLU 3 HG1 GLU 3 46.963 -14.660 -30.699 24 H GLY 4 HN GLY 4 45.564 -16.786 -26.675 25 HA2 GLY 4 HA2 GLY 4 44.205 -18.446 -25.716 26 HA3 GLY 4 HA1 GLY 4 44.587 -19.510 -27.067 27 H GLY 5 HN GLY 5 46.870 -17.737 -25.026 28 HA2 GLY 5 HA2 GLY 5 48.208 -20.270 -24.393 29 HA3 GLY 5 HA1 GLY 5 48.886 -18.659 -24.186 30 H ASP 6 HN ASP 6 46.332 -20.798 -22.936 31 HA ASP 6 HA ASP 6 45.301 -20.869 -20.866 32 HB2 ASP 6 HB2 ASP 6 47.884 -21.621 -20.658 33 HB3 ASP 6 HB1 ASP 6 47.874 -20.272 -19.523 34 H PHE 7 HN PHE 7 45.803 -18.128 -22.140 35 HA PHE 7 HA PHE 7 44.863 -16.597 -19.860 36 HB2 PHE 7 HB2 PHE 7 47.605 -16.321 -20.943 37 HB3 PHE 7 HB1 PHE 7 46.722 -14.815 -20.690 38 HD1 PHE 7 HD2 PHE 7 45.600 -14.441 -18.409 39 HD2 PHE 7 HD1 PHE 7 48.551 -17.481 -19.117 40 HE1 PHE 7 HE2 PHE 7 46.021 -14.600 -15.970 41 HE2 PHE 7 HE1 PHE 7 48.972 -17.639 -16.678 42 HZ PHE 7 HZ PHE 7 47.707 -16.199 -15.105 43 H ASP 8 HN ASP 8 43.247 -15.376 -20.577 44 HA ASP 8 HA ASP 8 43.438 -13.823 -22.980 45 HB2 ASP 8 HB2 ASP 8 42.223 -16.460 -23.090 46 HB3 ASP 8 HB1 ASP 8 41.076 -15.195 -23.531 47 H ASN 9 HN ASN 9 41.563 -15.077 -20.300 48 HA ASN 9 HA ASN 9 39.707 -12.800 -20.469 49 HB2 ASN 9 HB2 ASN 9 39.188 -15.409 -19.958 50 HB3 ASN 9 HB1 ASN 9 39.393 -14.803 -18.315 51 HD21 ASN 9 HD21 ASN 9 38.212 -12.442 -18.126 52 HD22 ASN 9 HD22 ASN 9 36.620 -12.439 -18.712 53 H TYR 10 HN TYR 10 42.642 -13.451 -19.153 54 HA TYR 10 HA TYR 10 43.905 -12.384 -17.555 55 HB2 TYR 10 HB2 TYR 10 41.640 -10.602 -16.774 56 HB3 TYR 10 HB1 TYR 10 43.351 -10.223 -16.980 57 HD1 TYR 10 HD2 TYR 10 43.963 -11.278 -19.634 58 HD2 TYR 10 HD1 TYR 10 40.460 -9.211 -18.253 59 HE1 TYR 10 HE2 TYR 10 43.513 -10.497 -21.944 60 HE2 TYR 10 HE1 TYR 10 40.011 -8.429 -20.564 61 HH TYR 10 HH TYR 10 41.905 -9.590 -23.296 62 H TYR 11 HN TYR 11 40.584 -12.200 -16.256 63 HA TYR 11 HA TYR 11 39.626 -13.302 -14.457 64 HB2 TYR 11 HB2 TYR 11 41.428 -15.133 -15.205 65 HB3 TYR 11 HB1 TYR 11 42.155 -14.656 -13.672 66 HD1 TYR 11 HD2 TYR 11 40.598 -14.572 -11.598 67 HD2 TYR 11 HD1 TYR 11 39.619 -16.635 -15.237 68 HE1 TYR 11 HE2 TYR 11 38.920 -15.930 -10.377 69 HE2 TYR 11 HE1 TYR 11 37.941 -17.992 -14.015 70 HH TYR 11 HH TYR 11 37.545 -18.728 -11.648 71 H GLY 12 HN GLY 12 39.315 -11.587 -13.133 72 HA2 GLY 12 HA2 GLY 12 39.594 -10.307 -11.232 73 HA3 GLY 12 HA1 GLY 12 41.007 -11.284 -10.846 74 H ALA 13 HN ALA 13 42.829 -10.875 -12.643 75 HA ALA 13 HA ALA 13 44.487 -9.413 -13.269 76 HB1 ALA 13 HB1 ALA 13 43.711 -7.439 -14.563 77 HB2 ALA 13 HB2 ALA 13 42.060 -7.781 -14.047 78 HB3 ALA 13 HB3 ALA 13 42.921 -8.932 -15.067 79 H ASP 14 HN ASP 14 42.218 -6.837 -12.481 80 HA ASP 14 HA ASP 14 44.013 -5.282 -11.042 81 HB2 ASP 14 HB2 ASP 14 42.140 -4.071 -11.560 82 HB3 ASP 14 HB1 ASP 14 41.050 -5.421 -11.251 83 H ASN 15 HN ASN 15 41.834 -7.826 -9.910 84 HA ASN 15 HA ASN 15 41.886 -7.573 -7.201 85 HB2 ASN 15 HB2 ASN 15 40.762 -9.422 -8.362 86 HB3 ASN 15 HB1 ASN 15 42.326 -10.144 -8.739 87 HD21 ASN 15 HD21 ASN 15 41.633 -8.554 -5.635 88 HD22 ASN 15 HD22 ASN 15 41.705 -9.972 -4.705 89 H GLN 16 HN GLN 16 44.520 -8.717 -9.258 90 HA GLN 16 HA GLN 16 46.253 -9.017 -6.900 91 HB2 GLN 16 HB2 GLN 16 47.018 -9.656 -9.742 92 HB3 GLN 16 HB1 GLN 16 47.691 -10.308 -8.248 93 HG2 GLN 16 HG2 GLN 16 45.216 -11.142 -7.859 94 HG3 GLN 16 HG1 GLN 16 45.105 -10.976 -9.610 95 HE21 GLN 16 HE21 GLN 16 45.765 -13.246 -7.294 96 HE22 GLN 16 HE22 GLN 16 46.817 -14.249 -8.170 97 H SER 17 HN SER 17 45.504 -6.396 -7.534 98 HA SER 17 HA SER 17 48.123 -5.279 -8.283 99 HB2 SER 17 HB2 SER 17 46.702 -5.125 -10.283 100 HB3 SER 17 HB1 SER 17 45.464 -4.295 -9.344 101 HG SER 17 HG SER 17 47.938 -3.404 -10.262 102 H GLU 18 HN GLU 18 48.193 -2.881 -7.721 103 HA GLU 18 HA GLU 18 47.733 -2.527 -4.985 104 HB2 GLU 18 HB2 GLU 18 48.000 -0.347 -7.069 105 HB3 GLU 18 HB1 GLU 18 48.331 -0.204 -5.342 106 HG2 GLU 18 HG2 GLU 18 50.475 -0.604 -6.092 107 HG3 GLU 18 HG1 GLU 18 49.942 -2.269 -5.858 108 H CYS 19 HN CYS 19 45.572 -3.082 -4.527 109 HA CYS 19 HA CYS 19 43.486 -1.322 -5.621 110 HB2 CYS 19 HB2 CYS 19 43.382 -3.959 -5.403 111 HB3 CYS 19 HB1 CYS 19 42.882 -3.576 -3.756 112 HG CYS 19 HG CYS 19 41.130 -3.302 -6.176 113 H GLU 20 HN GLU 20 45.477 -0.422 -3.650 114 HA GLU 20 HA GLU 20 43.579 0.570 -1.646 115 HB2 GLU 20 HB2 GLU 20 46.277 -0.315 -0.693 116 HB3 GLU 20 HB1 GLU 20 44.777 -0.125 0.214 117 HG2 GLU 20 HG2 GLU 20 43.833 -2.074 -1.052 118 HG3 GLU 20 HG1 GLU 20 45.417 -2.310 -1.786 119 H TYR 21 HN TYR 21 46.762 0.738 -3.160 120 HA TYR 21 HA TYR 21 47.217 3.435 -2.139 121 HB2 TYR 21 HB2 TYR 21 48.886 1.748 -4.019 122 HB3 TYR 21 HB1 TYR 21 49.382 3.264 -3.263 123 HD1 TYR 21 HD1 TYR 21 49.286 3.370 -0.666 124 HD2 TYR 21 HD2 TYR 21 49.262 -0.290 -2.915 125 HE1 TYR 21 HE1 TYR 21 50.026 2.128 1.349 126 HE2 TYR 21 HE2 TYR 21 50.002 -1.532 -0.900 127 HH TYR 21 HH TYR 21 49.725 -0.976 1.806 128 H THR 22 HN THR 22 45.295 2.276 -4.452 129 HA THR 22 HA THR 22 45.574 4.700 -6.085 130 HB THR 22 HB THR 22 45.700 3.593 -8.126 131 HG1 THR 22 HG1 THR 22 44.839 1.667 -8.471 132 HG21 THR 22 HG21 THR 22 47.517 1.995 -7.952 133 HG22 THR 22 HG22 THR 22 47.128 1.680 -6.262 134 HG23 THR 22 HG23 THR 22 47.762 3.254 -6.741 135 H ASP 23 HN ASP 23 43.670 1.910 -5.103 136 HA ASP 23 HA ASP 23 41.285 2.185 -6.341 137 HB2 ASP 23 HB2 ASP 23 42.152 0.916 -4.043 138 HB3 ASP 23 HB1 ASP 23 40.884 1.990 -3.457 139 H TRP 24 HN TRP 24 42.707 4.492 -4.166 140 HA TRP 24 HA TRP 24 40.198 6.048 -4.126 141 HB2 TRP 24 HB2 TRP 24 41.339 7.349 -2.304 142 HB3 TRP 24 HB1 TRP 24 41.037 5.658 -1.910 143 HD1 TRP 24 HD1 TRP 24 43.208 3.965 -2.416 144 HE1 TRP 24 HE1 TRP 24 45.706 4.417 -1.963 145 HE3 TRP 24 HE3 TRP 24 43.142 9.061 -2.107 146 HZ2 TRP 24 HZ2 TRP 24 47.446 6.645 -1.528 147 HZ3 TRP 24 HZ3 TRP 24 45.230 10.322 -1.672 148 HH2 TRP 24 HH2 TRP 24 47.380 9.120 -1.382 149 H LYS 25 HN LYS 25 43.676 6.890 -4.088 150 HA LYS 25 HA LYS 25 44.728 8.728 -5.010 151 HB2 LYS 25 HB2 LYS 25 44.113 6.801 -6.889 152 HB3 LYS 25 HB1 LYS 25 43.533 8.286 -7.644 153 HG2 LYS 25 HG2 LYS 25 45.813 8.118 -8.292 154 HG3 LYS 25 HG1 LYS 25 45.792 9.312 -6.996 155 HD2 LYS 25 HD2 LYS 25 47.395 8.041 -6.025 156 HD3 LYS 25 HD1 LYS 25 46.084 6.933 -5.619 157 HE2 LYS 25 HE2 LYS 25 47.723 5.602 -6.729 158 HE3 LYS 25 HE1 LYS 25 46.450 5.877 -7.918 159 HZ1 LYS 25 HZ1 LYS 25 48.219 8.012 -8.098 160 HZ2 LYS 25 HZ2 LYS 25 47.964 6.774 -9.234 161 HZ3 LYS 25 HZ3 LYS 25 49.167 6.606 -8.046 162 H SER 26 HN SER 26 44.029 10.298 -7.230 163 HA SER 26 HA SER 26 41.880 11.919 -6.039 164 HB2 SER 26 HB2 SER 26 43.016 13.462 -8.009 165 HB3 SER 26 HB1 SER 26 43.464 13.501 -6.307 166 HG SER 26 HG SER 26 45.139 12.139 -6.719 167 H SER 27 HN SER 27 40.074 10.881 -6.887 168 HA SER 27 HA SER 27 39.804 10.269 -9.673 169 HB2 SER 27 HB2 SER 27 37.866 10.398 -7.369 170 HB3 SER 27 HB1 SER 27 37.338 10.052 -9.013 171 HG SER 27 HG SER 27 37.804 8.092 -8.226 172 H GLY 28 HN GLY 28 40.631 12.970 -9.241 173 HA2 GLY 28 HA2 GLY 28 39.814 14.605 -10.984 174 HA3 GLY 28 HA1 GLY 28 38.261 14.487 -10.161 175 H ALA 29 HN ALA 29 40.697 14.209 -7.905 176 HA ALA 29 HA ALA 29 41.756 15.681 -6.464 177 HB1 ALA 29 HB1 ALA 29 40.627 18.103 -7.771 178 HB2 ALA 29 HB2 ALA 29 41.785 17.151 -8.699 179 HB3 ALA 29 HB3 ALA 29 42.245 17.817 -7.133 180 H LEU 30 HN LEU 30 39.088 14.606 -6.167 181 HA LEU 30 HA LEU 30 37.677 16.762 -4.744 182 HB2 LEU 30 HB2 LEU 30 36.859 14.120 -5.896 183 HB3 LEU 30 HB1 LEU 30 35.919 14.797 -4.570 184 HG LEU 30 HG LEU 30 35.077 15.427 -6.865 185 HD11 LEU 30 HD11 LEU 30 34.243 17.288 -5.910 186 HD12 LEU 30 HD12 LEU 30 35.823 18.068 -5.920 187 HD13 LEU 30 HD13 LEU 30 35.362 17.033 -4.572 188 HD21 LEU 30 HD21 LEU 30 36.343 16.791 -8.301 189 HD22 LEU 30 HD22 LEU 30 37.536 15.643 -7.694 190 HD23 LEU 30 HD23 LEU 30 37.455 17.271 -7.019 191 H ILE 31 HN ILE 31 40.124 15.055 -3.926 192 HA ILE 31 HA ILE 31 39.091 13.720 -1.546 193 HB ILE 31 HB ILE 31 42.011 13.966 -1.886 194 HG12 ILE 31 HG12 ILE 31 41.406 13.825 -4.245 195 HG13 ILE 31 HG11 ILE 31 42.016 12.258 -3.723 196 HG21 ILE 31 HG21 ILE 31 41.900 11.593 -1.333 197 HG22 ILE 31 HG22 ILE 31 40.151 11.597 -1.555 198 HG23 ILE 31 HG23 ILE 31 40.873 12.502 -0.225 199 HD11 ILE 31 HD11 ILE 31 40.115 11.392 -4.582 200 HD12 ILE 31 HD12 ILE 31 39.361 12.979 -4.713 201 HD13 ILE 31 HD13 ILE 31 39.290 12.093 -3.192 202 HA PRO 32 HA PRO 32 41.928 17.301 0.250 203 HB2 PRO 32 HB2 PRO 32 41.172 19.438 -1.666 204 HB3 PRO 32 HB1 PRO 32 42.751 19.073 -0.948 205 HG2 PRO 32 HG2 PRO 32 42.210 18.544 -3.508 206 HG3 PRO 32 HG1 PRO 32 43.260 17.501 -2.532 207 HD2 PRO 32 HD2 PRO 32 40.424 17.055 -3.383 208 HD3 PRO 32 HD1 PRO 32 41.743 15.879 -3.189 209 H ALA 33 HN ALA 33 38.773 17.357 -1.125 210 HA ALA 33 HA ALA 33 37.802 19.280 0.885 211 HB1 ALA 33 HB1 ALA 33 36.739 20.010 -0.982 212 HB2 ALA 33 HB2 ALA 33 35.625 18.686 -0.639 213 HB3 ALA 33 HB3 ALA 33 36.924 18.465 -1.811 214 H ILE 34 HN ILE 34 36.446 16.343 -0.620 215 HA ILE 34 HA ILE 34 34.667 15.601 1.306 216 HB ILE 34 HB ILE 34 36.486 13.813 -0.320 217 HG12 ILE 34 HG12 ILE 34 33.564 14.518 -0.706 218 HG13 ILE 34 HG11 ILE 34 34.876 15.399 -1.491 219 HG21 ILE 34 HG21 ILE 34 34.595 12.134 0.131 220 HG22 ILE 34 HG22 ILE 34 34.105 13.206 1.442 221 HG23 ILE 34 HG23 ILE 34 35.698 12.451 1.468 222 HD11 ILE 34 HD11 ILE 34 35.680 13.206 -2.438 223 HD12 ILE 34 HD12 ILE 34 34.097 13.706 -3.034 224 HD13 ILE 34 HD13 ILE 34 34.219 12.456 -1.796 225 H TYR 35 HN TYR 35 38.145 14.864 1.286 226 HA TYR 35 HA TYR 35 38.139 13.378 3.707 227 HB2 TYR 35 HB2 TYR 35 39.953 13.365 1.947 228 HB3 TYR 35 HB1 TYR 35 40.460 14.939 2.562 229 HD1 TYR 35 HD1 TYR 35 39.916 11.381 3.525 230 HD2 TYR 35 HD2 TYR 35 41.739 15.131 4.557 231 HE1 TYR 35 HE1 TYR 35 41.179 10.266 5.345 232 HE2 TYR 35 HE2 TYR 35 43.001 14.016 6.378 233 HH TYR 35 HH TYR 35 43.651 11.980 7.183 234 H MET 36 HN MET 36 38.633 16.797 2.956 235 HA MET 36 HA MET 36 39.453 17.618 5.537 236 HB2 MET 36 HB2 MET 36 39.799 19.073 3.640 237 HB3 MET 36 HB1 MET 36 38.066 19.135 3.316 238 HG2 MET 36 HG2 MET 36 37.632 20.498 5.151 239 HG3 MET 36 HG1 MET 36 39.067 19.957 6.021 240 HE1 MET 36 HE1 MET 36 41.924 21.989 4.884 241 HE2 MET 36 HE2 MET 36 41.541 20.279 4.698 242 HE3 MET 36 HE3 MET 36 41.113 21.113 6.191 243 H LEU 37 HN LEU 37 36.252 17.758 3.961 244 HA LEU 37 HA LEU 37 34.852 18.727 6.213 245 HB2 LEU 37 HB2 LEU 37 33.734 16.978 4.012 246 HB3 LEU 37 HB1 LEU 37 32.849 18.120 5.024 247 HG LEU 37 HG LEU 37 35.045 18.841 3.060 248 HD11 LEU 37 HD11 LEU 37 32.090 19.497 2.956 249 HD12 LEU 37 HD12 LEU 37 32.805 18.132 2.101 250 HD13 LEU 37 HD13 LEU 37 33.295 19.778 1.700 251 HD21 LEU 37 HD21 LEU 37 33.464 20.383 5.099 252 HD22 LEU 37 HD22 LEU 37 33.974 21.184 3.614 253 HD23 LEU 37 HD23 LEU 37 35.178 20.497 4.704 254 H VAL 38 HN VAL 38 34.969 15.408 4.892 255 HA VAL 38 HA VAL 38 33.550 14.051 6.791 256 HB VAL 38 HB VAL 38 36.119 13.195 5.440 257 HG11 VAL 38 HG11 VAL 38 34.167 11.754 7.214 258 HG12 VAL 38 HG12 VAL 38 35.928 11.651 7.183 259 HG13 VAL 38 HG13 VAL 38 34.977 10.876 5.915 260 HG21 VAL 38 HG21 VAL 38 33.415 12.162 4.720 261 HG22 VAL 38 HG22 VAL 38 34.804 12.491 3.684 262 HG23 VAL 38 HG23 VAL 38 33.791 13.820 4.247 263 H PHE 39 HN PHE 39 36.665 15.549 7.153 264 HA PHE 39 HA PHE 39 37.500 14.168 9.500 265 HB2 PHE 39 HB2 PHE 39 38.853 15.696 7.864 266 HB3 PHE 39 HB1 PHE 39 38.294 17.002 8.910 267 HD1 PHE 39 HD1 PHE 39 38.938 17.082 11.288 268 HD2 PHE 39 HD2 PHE 39 40.420 14.023 8.664 269 HE1 PHE 39 HE1 PHE 39 40.684 16.502 12.951 270 HE2 PHE 39 HE2 PHE 39 42.166 13.442 10.326 271 HZ PHE 39 HZ PHE 39 42.298 14.682 12.470 272 H LEU 40 HN LEU 40 35.826 17.260 8.964 273 HA LEU 40 HA LEU 40 35.581 17.872 11.749 274 HB2 LEU 40 HB2 LEU 40 34.052 18.931 9.359 275 HB3 LEU 40 HB1 LEU 40 34.014 19.623 10.981 276 HG LEU 40 HG LEU 40 36.691 19.186 9.736 277 HD11 LEU 40 HD11 LEU 40 36.357 21.592 8.771 278 HD12 LEU 40 HD12 LEU 40 34.641 21.190 8.817 279 HD13 LEU 40 HD13 LEU 40 35.749 20.217 7.850 280 HD21 LEU 40 HD21 LEU 40 35.607 21.575 11.237 281 HD22 LEU 40 HD22 LEU 40 37.284 21.052 11.085 282 HD23 LEU 40 HD23 LEU 40 36.158 20.126 12.077 283 H LEU 41 HN LEU 41 34.152 15.524 9.896 284 HA LEU 41 HA LEU 41 31.905 15.299 11.791 285 HB2 LEU 41 HB2 LEU 41 31.779 15.257 8.786 286 HB3 LEU 41 HB1 LEU 41 30.585 14.391 9.753 287 HG LEU 41 HG LEU 41 31.153 17.179 10.593 288 HD11 LEU 41 HD11 LEU 41 29.839 16.454 7.969 289 HD12 LEU 41 HD12 LEU 41 31.116 17.636 8.258 290 HD13 LEU 41 HD13 LEU 41 29.473 17.959 8.813 291 HD21 LEU 41 HD21 LEU 41 29.452 15.687 11.653 292 HD22 LEU 41 HD22 LEU 41 28.589 15.624 10.117 293 HD23 LEU 41 HD23 LEU 41 28.738 17.154 10.983 294 H GLY 42 HN GLY 42 34.642 13.993 11.117 295 HA2 GLY 42 HA2 GLY 42 33.652 11.229 11.383 296 HA3 GLY 42 HA1 GLY 42 34.890 11.591 10.185 297 H THR 43 HN THR 43 35.215 13.606 12.847 298 HA THR 43 HA THR 43 36.790 11.799 14.483 299 HB THR 43 HB THR 43 38.041 13.883 12.715 300 HG1 THR 43 HG1 THR 43 37.949 11.360 12.622 301 HG21 THR 43 HG21 THR 43 40.094 13.462 14.264 302 HG22 THR 43 HG22 THR 43 38.887 13.008 15.467 303 HG23 THR 43 HG23 THR 43 38.877 14.630 14.775 304 H THR 44 HN THR 44 36.273 15.258 13.759 305 HA THR 44 HA THR 44 36.652 16.186 16.391 306 HB THR 44 HB THR 44 35.207 17.290 13.992 307 HG1 THR 44 HG1 THR 44 37.601 17.721 15.387 308 HG21 THR 44 HG21 THR 44 35.257 18.323 16.819 309 HG22 THR 44 HG22 THR 44 33.896 18.230 15.700 310 HG23 THR 44 HG23 THR 44 35.158 19.438 15.456 311 H GLY 45 HN GLY 45 33.916 14.724 14.803 312 HA2 GLY 45 HA2 GLY 45 31.738 15.518 16.245 313 HA3 GLY 45 HA1 GLY 45 31.974 13.855 15.715 314 H ASN 46 HN ASN 46 33.732 12.696 17.170 315 HA ASN 46 HA ASN 46 33.488 13.447 19.986 316 HB2 ASN 46 HB2 ASN 46 31.869 11.407 18.763 317 HB3 ASN 46 HB1 ASN 46 32.965 10.675 19.933 318 HD21 ASN 46 HD21 ASN 46 31.404 13.919 19.993 319 HD22 ASN 46 HD22 ASN 46 30.612 13.670 21.473 320 H GLY 47 HN GLY 47 35.494 12.864 17.666 321 HA2 GLY 47 HA2 GLY 47 37.111 10.724 18.782 322 HA3 GLY 47 HA1 GLY 47 37.496 11.701 17.369 323 H LEU 48 HN LEU 48 36.527 13.582 20.007 324 HA LEU 48 HA LEU 48 39.325 14.357 20.509 325 HB2 LEU 48 HB2 LEU 48 36.829 15.866 21.300 326 HB3 LEU 48 HB1 LEU 48 38.484 16.475 21.229 327 HG LEU 48 HG LEU 48 36.857 15.518 18.855 328 HD11 LEU 48 HD11 LEU 48 37.136 18.097 20.196 329 HD12 LEU 48 HD12 LEU 48 36.000 17.607 18.938 330 HD13 LEU 48 HD13 LEU 48 37.610 18.177 18.498 331 HD21 LEU 48 HD21 LEU 48 39.089 15.075 18.283 332 HD22 LEU 48 HD22 LEU 48 39.700 16.439 19.218 333 HD23 LEU 48 HD23 LEU 48 38.871 16.720 17.687 334 H VAL 49 HN VAL 49 37.147 12.312 21.788 335 HA VAL 49 HA VAL 49 37.579 13.019 24.596 336 HB VAL 49 HB VAL 49 35.952 10.831 23.283 337 HG11 VAL 49 HG11 VAL 49 35.036 10.826 25.772 338 HG12 VAL 49 HG12 VAL 49 36.658 11.415 26.136 339 HG13 VAL 49 HG13 VAL 49 36.444 9.859 25.333 340 HG21 VAL 49 HG21 VAL 49 34.058 12.176 24.203 341 HG22 VAL 49 HG22 VAL 49 35.004 13.069 23.013 342 HG23 VAL 49 HG23 VAL 49 35.218 13.394 24.734 343 H LEU 50 HN LEU 50 39.285 11.457 22.270 344 HA LEU 50 HA LEU 50 40.677 9.803 24.272 345 HB2 LEU 50 HB2 LEU 50 41.026 8.136 22.320 346 HB3 LEU 50 HB1 LEU 50 39.473 8.126 23.156 347 HG LEU 50 HG LEU 50 39.651 10.028 20.902 348 HD11 LEU 50 HD11 LEU 50 39.848 7.033 20.512 349 HD12 LEU 50 HD12 LEU 50 40.898 8.280 19.839 350 HD13 LEU 50 HD13 LEU 50 39.238 8.119 19.265 351 HD21 LEU 50 HD21 LEU 50 37.580 9.544 22.184 352 HD22 LEU 50 HD22 LEU 50 37.671 7.858 21.673 353 HD23 LEU 50 HD23 LEU 50 37.400 9.127 20.480 354 H TRP 51 HN TRP 51 40.726 11.518 21.199 355 HA TRP 51 HA TRP 51 43.333 11.164 20.374 356 HB2 TRP 51 HB2 TRP 51 41.926 12.435 18.965 357 HB3 TRP 51 HB1 TRP 51 41.521 13.569 20.254 358 HD1 TRP 51 HD1 TRP 51 44.847 12.353 18.666 359 HE1 TRP 51 HE1 TRP 51 46.326 14.422 18.241 360 HE3 TRP 51 HE3 TRP 51 41.747 16.025 20.395 361 HZ2 TRP 51 HZ2 TRP 51 46.210 17.258 18.589 362 HZ3 TRP 51 HZ3 TRP 51 42.455 18.399 20.337 363 HH2 TRP 51 HH2 TRP 51 44.681 19.020 19.436 364 H THR 52 HN THR 52 42.621 14.320 21.743 365 HA THR 52 HA THR 52 45.098 14.983 22.640 366 HB THR 52 HB THR 52 43.487 16.666 22.851 367 HG1 THR 52 HG1 THR 52 43.274 16.307 25.491 368 HG21 THR 52 HG21 THR 52 41.868 14.695 24.487 369 HG22 THR 52 HG22 THR 52 41.506 15.242 22.851 370 HG23 THR 52 HG23 THR 52 41.412 16.375 24.200 371 H VAL 53 HN VAL 53 42.697 13.063 24.413 372 HA VAL 53 HA VAL 53 43.972 12.787 26.852 373 HB VAL 53 HB VAL 53 42.574 10.499 25.468 374 HG11 VAL 53 HG11 VAL 53 42.117 9.734 27.622 375 HG12 VAL 53 HG12 VAL 53 42.277 11.339 28.335 376 HG13 VAL 53 HG13 VAL 53 43.716 10.444 27.844 377 HG21 VAL 53 HG21 VAL 53 41.538 13.137 26.416 378 HG22 VAL 53 HG22 VAL 53 40.564 11.707 26.758 379 HG23 VAL 53 HG23 VAL 53 40.969 12.120 25.092 380 H PHE 54 HN PHE 54 44.598 11.098 23.818 381 HA PHE 54 HA PHE 54 46.395 9.164 24.847 382 HB2 PHE 54 HB2 PHE 54 45.226 9.355 22.504 383 HB3 PHE 54 HB1 PHE 54 46.675 10.265 22.074 384 HD1 PHE 54 HD1 PHE 54 45.370 6.989 23.158 385 HD2 PHE 54 HD2 PHE 54 48.860 9.202 21.987 386 HE1 PHE 54 HE1 PHE 54 46.630 4.867 22.904 387 HE2 PHE 54 HE2 PHE 54 50.120 7.081 21.733 388 HZ PHE 54 HZ PHE 54 49.004 4.913 22.192 389 H ARG 55 HN ARG 55 46.880 12.403 23.480 390 HA ARG 55 HA ARG 55 49.737 12.251 24.174 391 HB2 ARG 55 HB2 ARG 55 48.376 14.474 22.655 392 HB3 ARG 55 HB1 ARG 55 50.090 14.053 22.676 393 HG2 ARG 55 HG2 ARG 55 49.638 12.911 20.769 394 HG3 ARG 55 HG1 ARG 55 48.933 11.700 21.840 395 HD2 ARG 55 HD2 ARG 55 46.744 12.925 21.671 396 HD3 ARG 55 HD1 ARG 55 47.478 13.969 20.458 397 HE ARG 55 HE ARG 55 46.659 11.208 20.098 398 HH11 ARG 55 HH21 ARG 55 48.611 13.849 19.010 399 HH12 ARG 55 HH22 ARG 55 48.752 13.258 17.389 400 HH21 ARG 55 HH11 ARG 55 46.839 10.426 17.973 401 HH22 ARG 55 HH12 ARG 55 47.749 11.320 16.801 402 H LYS 56 HN LYS 56 47.397 12.668 26.055 403 HA LYS 56 HA LYS 56 47.840 15.390 27.007 404 HB2 LYS 56 HB2 LYS 56 45.558 14.597 27.027 405 HB3 LYS 56 HB1 LYS 56 46.018 13.162 27.942 406 HG2 LYS 56 HG2 LYS 56 46.847 15.691 29.199 407 HG3 LYS 56 HG1 LYS 56 45.101 15.507 29.053 408 HD2 LYS 56 HD2 LYS 56 46.823 13.272 30.127 409 HD3 LYS 56 HD1 LYS 56 46.215 14.550 31.179 410 HE2 LYS 56 HE2 LYS 56 44.183 13.374 29.390 411 HE3 LYS 56 HE1 LYS 56 44.837 12.258 30.589 412 HZ1 LYS 56 HZ1 LYS 56 43.006 13.364 31.571 413 HZ2 LYS 56 HZ2 LYS 56 43.568 14.892 31.082 414 HZ3 LYS 56 HZ3 LYS 56 44.403 14.018 32.276 415 H LYS 57 HN LYS 57 48.243 12.044 28.153 416 HA LYS 57 HA LYS 57 49.308 12.578 30.673 417 HB2 LYS 57 HB2 LYS 57 50.339 10.345 30.521 418 HB3 LYS 57 HB1 LYS 57 48.674 10.324 29.940 419 HG2 LYS 57 HG2 LYS 57 49.406 9.484 27.987 420 HG3 LYS 57 HG1 LYS 57 50.291 10.985 27.710 421 HD2 LYS 57 HD2 LYS 57 51.868 9.144 27.601 422 HD3 LYS 57 HD1 LYS 57 52.176 10.049 29.084 423 HE2 LYS 57 HE2 LYS 57 50.215 8.127 29.743 424 HE3 LYS 57 HE1 LYS 57 51.424 7.277 28.781 425 HZ1 LYS 57 HZ1 LYS 57 52.977 7.528 30.357 426 HZ2 LYS 57 HZ2 LYS 57 51.659 7.773 31.400 427 HZ3 LYS 57 HZ3 LYS 57 52.493 9.105 30.753 428 H GLY 58 HN GLY 58 50.545 13.499 27.716 429 HA2 GLY 58 HA2 GLY 58 52.687 14.919 28.419 430 HA3 GLY 58 HA1 GLY 58 53.362 13.292 28.450 431 H HIS 59 HN HIS 59 53.182 12.009 26.452 432 HA HIS 59 HA HIS 59 52.482 13.209 23.968 433 HB2 HIS 59 HB2 HIS 59 54.669 13.573 23.020 434 HB3 HIS 59 HB1 HIS 59 54.566 14.495 24.520 435 HD2 HIS 59 HD2 HIS 59 55.230 11.867 26.540 436 HE1 HIS 59 HE1 HIS 59 58.875 11.784 24.412 437 HE2 HIS 59 HE2 HIS 59 57.692 10.997 26.517 438 H HIS 60 HN HIS 60 53.975 10.730 25.861 439 HA HIS 60 HA HIS 60 52.964 8.593 24.417 440 HB2 HIS 60 HB2 HIS 60 54.224 8.819 22.515 441 HB3 HIS 60 HB1 HIS 60 55.538 9.644 23.355 442 HD2 HIS 60 HD2 HIS 60 54.433 5.996 22.466 443 HE1 HIS 60 HE1 HIS 60 58.109 5.765 24.529 444 HE2 HIS 60 HE2 HIS 60 56.394 4.439 23.206 445 H HIS 61 HN HIS 61 52.809 7.294 26.132 446 HA HIS 61 HA HIS 61 53.357 6.094 28.015 447 HB2 HIS 61 HB2 HIS 61 55.609 5.874 26.157 448 HB3 HIS 61 HB1 HIS 61 56.067 5.602 27.838 449 HD2 HIS 61 HD2 HIS 61 52.604 4.437 26.289 450 HE1 HIS 61 HE1 HIS 61 54.747 1.029 27.562 451 HE2 HIS 61 HE2 HIS 61 52.538 1.846 26.612 452 H HIS 62 HN HIS 62 55.153 5.974 29.845 453 HA HIS 62 HA HIS 62 55.129 8.491 31.143 454 HB2 HIS 62 HB2 HIS 62 57.004 6.247 31.863 455 HB3 HIS 62 HB1 HIS 62 56.219 7.413 32.929 456 HD2 HIS 62 HD2 HIS 62 53.137 7.049 32.506 457 HE1 HIS 62 HE1 HIS 62 53.721 2.869 32.441 458 HE2 HIS 62 HE2 HIS 62 51.991 4.711 32.702 459 H HIS 63 HN HIS 63 57.380 9.200 32.191 460 HA HIS 63 HA HIS 63 59.607 9.138 30.344 461 HB2 HIS 63 HB2 HIS 63 59.649 11.466 29.802 462 HB3 HIS 63 HB1 HIS 63 58.027 10.889 29.418 463 HD2 HIS 63 HD2 HIS 63 59.745 13.432 31.799 464 HE1 HIS 63 HE1 HIS 63 55.644 13.361 32.798 465 HE2 HIS 63 HE2 HIS 63 57.844 14.570 33.181 466 H HIS 64 HN HIS 64 59.360 8.288 32.993 467 HA HIS 64 HA HIS 64 60.065 10.100 34.986 468 HB2 HIS 64 HB2 HIS 64 60.550 7.174 34.570 469 HB3 HIS 64 HB1 HIS 64 61.341 7.998 35.915 470 HD2 HIS 64 HD2 HIS 64 57.804 6.721 34.927 471 HE1 HIS 64 HE1 HIS 64 57.414 8.774 38.595 472 HE2 HIS 64 HE2 HIS 64 56.222 7.276 36.928 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 57.864 -0.826 15.340 2 H2 MET 1 HT2 MET 1 59.163 -1.471 14.453 3 H3 MET 1 HT3 MET 1 58.590 -2.277 15.836 4 HA MET 1 HA MET 1 57.049 -1.860 13.333 5 HB2 MET 1 HB2 MET 1 58.754 -4.089 14.381 6 HB3 MET 1 HB1 MET 1 57.300 -4.501 13.470 7 HG2 MET 1 HG2 MET 1 58.074 -3.488 11.516 8 HG3 MET 1 HG1 MET 1 59.179 -2.424 12.386 9 HE1 MET 1 HE1 MET 1 62.375 -3.931 11.706 10 HE2 MET 1 HE2 MET 1 61.572 -2.877 12.867 11 HE3 MET 1 HE3 MET 1 61.221 -2.712 11.148 12 H GLU 2 HN GLU 2 55.411 -3.952 13.500 13 HA GLU 2 HA GLU 2 53.614 -3.218 15.624 14 HB2 GLU 2 HB2 GLU 2 52.900 -3.897 13.304 15 HB3 GLU 2 HB1 GLU 2 53.368 -5.548 13.713 16 HG2 GLU 2 HG2 GLU 2 51.317 -5.813 14.603 17 HG3 GLU 2 HG1 GLU 2 51.806 -4.697 15.877 18 H GLU 3 HN GLU 3 55.708 -3.953 17.025 19 HA GLU 3 HA GLU 3 56.337 -6.529 17.642 20 HB2 GLU 3 HB2 GLU 3 55.791 -4.307 19.626 21 HB3 GLU 3 HB1 GLU 3 56.704 -5.778 19.966 22 HG2 GLU 3 HG2 GLU 3 58.420 -5.185 18.407 23 HG3 GLU 3 HG1 GLU 3 57.446 -3.880 17.731 24 H GLY 4 HN GLY 4 55.488 -8.200 18.854 25 HA2 GLY 4 HA2 GLY 4 53.549 -8.485 20.624 26 HA3 GLY 4 HA1 GLY 4 52.580 -8.143 19.194 27 H GLY 5 HN GLY 5 53.708 -9.487 17.197 28 HA2 GLY 5 HA2 GLY 5 52.834 -12.072 17.353 29 HA3 GLY 5 HA1 GLY 5 54.127 -11.565 16.271 30 H ASP 6 HN ASP 6 53.360 -13.681 18.685 31 HA ASP 6 HA ASP 6 55.599 -13.756 20.360 32 HB2 ASP 6 HB2 ASP 6 53.524 -15.085 20.695 33 HB3 ASP 6 HB1 ASP 6 54.000 -16.117 19.348 34 H PHE 7 HN PHE 7 55.079 -15.132 17.147 35 HA PHE 7 HA PHE 7 57.963 -15.366 16.792 36 HB2 PHE 7 HB2 PHE 7 58.041 -17.666 16.367 37 HB3 PHE 7 HB1 PHE 7 56.988 -17.563 17.778 38 HD1 PHE 7 HD1 PHE 7 54.435 -17.376 17.332 39 HD2 PHE 7 HD2 PHE 7 57.281 -18.716 14.407 40 HE1 PHE 7 HE1 PHE 7 52.609 -18.461 16.052 41 HE2 PHE 7 HE2 PHE 7 55.454 -19.801 13.127 42 HZ PHE 7 HZ PHE 7 53.119 -19.673 13.950 43 H ASP 8 HN ASP 8 55.396 -14.030 15.701 44 HA ASP 8 HA ASP 8 54.861 -14.916 13.106 45 HB2 ASP 8 HB2 ASP 8 54.909 -12.059 14.103 46 HB3 ASP 8 HB1 ASP 8 54.066 -12.645 12.670 47 H ASN 9 HN ASN 9 55.903 -14.784 11.202 48 HA ASN 9 HA ASN 9 58.644 -13.808 11.204 49 HB2 ASN 9 HB2 ASN 9 58.571 -14.707 8.813 50 HB3 ASN 9 HB1 ASN 9 58.365 -15.888 10.105 51 HD21 ASN 9 HD21 ASN 9 55.810 -13.609 9.147 52 HD22 ASN 9 HD22 ASN 9 54.767 -14.788 8.512 53 H TYR 10 HN TYR 10 56.189 -12.006 11.278 54 HA TYR 10 HA TYR 10 55.615 -9.941 10.453 55 HB2 TYR 10 HB2 TYR 10 58.132 -9.988 8.800 56 HB3 TYR 10 HB1 TYR 10 57.314 -8.603 9.524 57 HD1 TYR 10 HD2 TYR 10 57.232 -8.429 12.071 58 HD2 TYR 10 HD1 TYR 10 59.806 -11.167 9.990 59 HE1 TYR 10 HE2 TYR 10 58.631 -8.662 14.107 60 HE2 TYR 10 HE1 TYR 10 61.205 -11.400 12.025 61 HH TYR 10 HH TYR 10 60.529 -9.486 14.947 62 H TYR 11 HN TYR 11 57.405 -11.298 7.684 63 HA TYR 11 HA TYR 11 56.790 -11.539 5.477 64 HB2 TYR 11 HB2 TYR 11 55.650 -13.484 6.297 65 HB3 TYR 11 HB1 TYR 11 54.312 -12.511 6.910 66 HD1 TYR 11 HD2 TYR 11 56.124 -13.376 3.752 67 HD2 TYR 11 HD1 TYR 11 52.450 -12.060 5.548 68 HE1 TYR 11 HE2 TYR 11 54.987 -13.553 1.555 69 HE2 TYR 11 HE1 TYR 11 51.312 -12.237 3.351 70 HH TYR 11 HH TYR 11 51.507 -13.144 1.249 71 H GLY 12 HN GLY 12 53.487 -10.868 6.450 72 HA2 GLY 12 HA2 GLY 12 53.204 -8.823 4.465 73 HA3 GLY 12 HA1 GLY 12 51.993 -9.299 5.651 74 H ALA 13 HN ALA 13 55.287 -7.988 6.011 75 HA ALA 13 HA ALA 13 54.394 -6.170 8.074 76 HB1 ALA 13 HB1 ALA 13 56.920 -7.220 7.113 77 HB2 ALA 13 HB2 ALA 13 56.525 -6.523 8.684 78 HB3 ALA 13 HB3 ALA 13 57.003 -5.475 7.348 79 H ASP 14 HN ASP 14 56.345 -5.529 5.159 80 HA ASP 14 HA ASP 14 55.932 -2.812 4.990 81 HB2 ASP 14 HB2 ASP 14 56.089 -3.325 2.394 82 HB3 ASP 14 HB1 ASP 14 57.482 -3.543 3.451 83 H ASN 15 HN ASN 15 53.648 -5.314 4.507 84 HA ASN 15 HA ASN 15 51.872 -4.110 2.683 85 HB2 ASN 15 HB2 ASN 15 51.767 -6.485 3.454 86 HB3 ASN 15 HB1 ASN 15 51.155 -5.912 5.004 87 HD21 ASN 15 HD21 ASN 15 50.201 -6.886 1.875 88 HD22 ASN 15 HD22 ASN 15 48.608 -6.302 1.925 89 H GLN 16 HN GLN 16 52.254 -3.767 6.174 90 HA GLN 16 HA GLN 16 50.041 -1.826 6.235 91 HB2 GLN 16 HB2 GLN 16 51.576 -2.859 8.615 92 HB3 GLN 16 HB1 GLN 16 49.968 -2.138 8.580 93 HG2 GLN 16 HG2 GLN 16 49.574 -4.215 6.891 94 HG3 GLN 16 HG1 GLN 16 50.811 -4.909 7.937 95 HE21 GLN 16 HE21 GLN 16 47.453 -4.158 7.713 96 HE22 GLN 16 HE22 GLN 16 47.044 -4.515 9.321 97 H SER 17 HN SER 17 52.365 -1.013 4.904 98 HA SER 17 HA SER 17 53.176 1.218 6.625 99 HB2 SER 17 HB2 SER 17 54.957 -0.425 6.922 100 HB3 SER 17 HB1 SER 17 55.127 -0.587 5.177 101 HG SER 17 HG SER 17 55.501 1.788 6.694 102 H GLU 18 HN GLU 18 53.054 3.080 5.545 103 HA GLU 18 HA GLU 18 52.050 3.448 3.039 104 HB2 GLU 18 HB2 GLU 18 54.199 5.210 4.237 105 HB3 GLU 18 HB1 GLU 18 52.950 5.684 3.085 106 HG2 GLU 18 HG2 GLU 18 51.424 4.608 5.070 107 HG3 GLU 18 HG1 GLU 18 52.761 5.269 6.008 108 H CYS 19 HN CYS 19 52.788 2.107 1.431 109 HA CYS 19 HA CYS 19 55.652 2.094 0.798 110 HB2 CYS 19 HB2 CYS 19 54.029 0.024 0.834 111 HB3 CYS 19 HB1 CYS 19 53.598 0.591 -0.780 112 HG CYS 19 HG CYS 19 55.861 -1.081 -0.485 113 H GLU 20 HN GLU 20 52.555 2.616 -0.905 114 HA GLU 20 HA GLU 20 53.437 4.950 -2.243 115 HB2 GLU 20 HB2 GLU 20 53.405 3.860 -4.579 116 HB3 GLU 20 HB1 GLU 20 54.859 3.655 -3.602 117 HG2 GLU 20 HG2 GLU 20 54.379 1.426 -3.108 118 HG3 GLU 20 HG1 GLU 20 52.653 1.630 -3.404 119 H TYR 21 HN TYR 21 51.129 3.712 -0.844 120 HA TYR 21 HA TYR 21 49.083 4.426 -2.840 121 HB2 TYR 21 HB2 TYR 21 47.655 2.574 -2.047 122 HB3 TYR 21 HB1 TYR 21 49.150 1.978 -2.770 123 HD1 TYR 21 HD1 TYR 21 51.121 1.460 -1.196 124 HD2 TYR 21 HD2 TYR 21 47.086 2.004 0.170 125 HE1 TYR 21 HE1 TYR 21 51.679 0.288 0.917 126 HE2 TYR 21 HE2 TYR 21 47.643 0.835 2.284 127 HH TYR 21 HH TYR 21 50.916 0.046 3.139 128 H THR 22 HN THR 22 49.943 6.240 -1.052 129 HA THR 22 HA THR 22 47.597 6.888 0.404 130 HB THR 22 HB THR 22 48.374 5.160 1.948 131 HG1 THR 22 HG1 THR 22 47.572 6.609 3.241 132 HG21 THR 22 HG21 THR 22 50.788 5.339 1.245 133 HG22 THR 22 HG22 THR 22 50.547 5.256 2.990 134 HG23 THR 22 HG23 THR 22 50.902 6.803 2.221 135 H ASP 23 HN ASP 23 51.048 7.327 -0.091 136 HA ASP 23 HA ASP 23 51.316 9.888 1.061 137 HB2 ASP 23 HB2 ASP 23 52.874 8.166 -0.740 138 HB3 ASP 23 HB1 ASP 23 53.132 9.891 -0.993 139 H TRP 24 HN TRP 24 49.422 8.945 -1.501 140 HA TRP 24 HA TRP 24 49.222 11.721 -2.451 141 HB2 TRP 24 HB2 TRP 24 48.925 10.738 -4.803 142 HB3 TRP 24 HB1 TRP 24 50.567 10.800 -4.164 143 HD1 TRP 24 HD1 TRP 24 51.327 8.430 -2.829 144 HE1 TRP 24 HE1 TRP 24 50.924 6.005 -3.608 145 HE3 TRP 24 HE3 TRP 24 47.498 9.186 -6.123 146 HZ2 TRP 24 HZ2 TRP 24 49.205 4.576 -5.392 147 HZ3 TRP 24 HZ3 TRP 24 46.497 7.278 -7.347 148 HH2 TRP 24 HH2 TRP 24 47.346 4.975 -6.985 149 H LYS 25 HN LYS 25 47.799 8.596 -3.409 150 HA LYS 25 HA LYS 25 45.599 7.979 -3.692 151 HB2 LYS 25 HB2 LYS 25 46.040 8.750 -0.994 152 HB3 LYS 25 HB1 LYS 25 44.441 9.339 -1.450 153 HG2 LYS 25 HG2 LYS 25 44.202 7.077 -0.612 154 HG3 LYS 25 HG1 LYS 25 43.928 7.049 -2.354 155 HD2 LYS 25 HD2 LYS 25 46.701 6.712 -2.048 156 HD3 LYS 25 HD1 LYS 25 45.974 5.695 -0.804 157 HE2 LYS 25 HE2 LYS 25 45.368 5.645 -3.773 158 HE3 LYS 25 HE1 LYS 25 46.161 4.382 -2.832 159 HZ1 LYS 25 HZ1 LYS 25 43.646 4.211 -3.340 160 HZ2 LYS 25 HZ2 LYS 25 43.480 5.315 -2.060 161 HZ3 LYS 25 HZ3 LYS 25 44.212 3.805 -1.793 162 H SER 26 HN SER 26 44.826 8.988 -5.484 163 HA SER 26 HA SER 26 43.101 11.297 -5.049 164 HB2 SER 26 HB2 SER 26 44.104 12.542 -6.953 165 HB3 SER 26 HB1 SER 26 45.209 12.379 -5.591 166 HG SER 26 HG SER 26 45.663 11.684 -8.048 167 H SER 27 HN SER 27 41.548 9.590 -5.490 168 HA SER 27 HA SER 27 41.512 8.327 -8.082 169 HB2 SER 27 HB2 SER 27 40.489 7.497 -5.819 170 HB3 SER 27 HB1 SER 27 39.117 8.499 -6.283 171 HG SER 27 HG SER 27 39.831 6.080 -7.185 172 H GLY 28 HN GLY 28 41.727 11.034 -8.487 173 HA2 GLY 28 HA2 GLY 28 40.270 11.853 -10.464 174 HA3 GLY 28 HA1 GLY 28 39.026 11.956 -9.221 175 H ALA 29 HN ALA 29 41.710 12.595 -7.551 176 HA ALA 29 HA ALA 29 42.783 14.489 -6.805 177 HB1 ALA 29 HB1 ALA 29 43.011 14.779 -9.414 178 HB2 ALA 29 HB2 ALA 29 43.384 16.122 -8.333 179 HB3 ALA 29 HB3 ALA 29 41.830 16.065 -9.164 180 H LEU 30 HN LEU 30 40.376 13.982 -5.710 181 HA LEU 30 HA LEU 30 39.406 16.663 -5.107 182 HB2 LEU 30 HB2 LEU 30 37.031 15.996 -5.432 183 HB3 LEU 30 HB1 LEU 30 37.939 16.041 -6.944 184 HG LEU 30 HG LEU 30 38.288 13.439 -5.891 185 HD11 LEU 30 HD11 LEU 30 36.288 13.967 -4.470 186 HD12 LEU 30 HD12 LEU 30 36.008 12.645 -5.603 187 HD13 LEU 30 HD13 LEU 30 35.366 14.251 -5.946 188 HD21 LEU 30 HD21 LEU 30 38.190 14.121 -8.277 189 HD22 LEU 30 HD22 LEU 30 36.464 14.436 -8.103 190 HD23 LEU 30 HD23 LEU 30 37.081 12.792 -7.935 191 H ILE 31 HN ILE 31 40.768 14.230 -3.860 192 HA ILE 31 HA ILE 31 38.880 13.323 -1.870 193 HB ILE 31 HB ILE 31 41.835 12.927 -1.605 194 HG12 ILE 31 HG12 ILE 31 41.411 12.538 -3.988 195 HG13 ILE 31 HG11 ILE 31 41.655 10.997 -3.169 196 HG21 ILE 31 HG21 ILE 31 39.417 11.154 -1.158 197 HG22 ILE 31 HG22 ILE 31 40.279 12.045 0.096 198 HG23 ILE 31 HG23 ILE 31 41.087 10.739 -0.771 199 HD11 ILE 31 HD11 ILE 31 38.986 12.220 -3.941 200 HD12 ILE 31 HD12 ILE 31 39.169 10.741 -3.000 201 HD13 ILE 31 HD13 ILE 31 39.743 10.803 -4.664 202 HA PRO 32 HA PRO 32 41.824 16.222 0.781 203 HB2 PRO 32 HB2 PRO 32 42.001 18.495 -1.116 204 HB3 PRO 32 HB1 PRO 32 43.253 17.794 -0.074 205 HG2 PRO 32 HG2 PRO 32 43.255 17.438 -2.721 206 HG3 PRO 32 HG1 PRO 32 43.813 16.184 -1.601 207 HD2 PRO 32 HD2 PRO 32 41.230 16.351 -3.109 208 HD3 PRO 32 HD1 PRO 32 42.212 14.925 -2.710 209 H ALA 33 HN ALA 33 39.197 16.957 -1.331 210 HA ALA 33 HA ALA 33 38.183 19.134 0.328 211 HB1 ALA 33 HB1 ALA 33 36.325 19.168 -1.325 212 HB2 ALA 33 HB2 ALA 33 37.062 17.792 -2.144 213 HB3 ALA 33 HB3 ALA 33 37.909 19.337 -2.080 214 H ILE 34 HN ILE 34 36.922 15.994 -0.827 215 HA ILE 34 HA ILE 34 34.676 15.832 0.784 216 HB ILE 34 HB ILE 34 36.516 13.623 -0.160 217 HG12 ILE 34 HG12 ILE 34 33.818 14.509 -1.216 218 HG13 ILE 34 HG11 ILE 34 35.345 15.118 -1.857 219 HG21 ILE 34 HG21 ILE 34 35.330 12.386 1.344 220 HG22 ILE 34 HG22 ILE 34 34.046 12.497 0.139 221 HG23 ILE 34 HG23 ILE 34 34.072 13.612 1.506 222 HD11 ILE 34 HD11 ILE 34 36.048 12.840 -2.423 223 HD12 ILE 34 HD12 ILE 34 34.490 13.191 -3.173 224 HD13 ILE 34 HD13 ILE 34 34.566 12.190 -1.722 225 H TYR 35 HN TYR 35 38.035 15.300 1.604 226 HA TYR 35 HA TYR 35 37.461 14.090 4.166 227 HB2 TYR 35 HB2 TYR 35 39.555 13.683 2.788 228 HB3 TYR 35 HB1 TYR 35 40.078 15.299 3.264 229 HD1 TYR 35 HD2 TYR 35 38.897 12.044 4.677 230 HD2 TYR 35 HD1 TYR 35 41.136 15.649 5.336 231 HE1 TYR 35 HE2 TYR 35 39.700 11.149 6.846 232 HE2 TYR 35 HE1 TYR 35 41.940 14.755 7.505 233 HH TYR 35 HH TYR 35 40.551 12.211 9.070 234 H MET 36 HN MET 36 38.095 17.297 2.914 235 HA MET 36 HA MET 36 38.688 18.580 5.371 236 HB2 MET 36 HB2 MET 36 39.207 19.674 3.279 237 HB3 MET 36 HB1 MET 36 37.510 19.653 2.799 238 HG2 MET 36 HG2 MET 36 36.953 21.393 4.183 239 HG3 MET 36 HG1 MET 36 38.120 20.919 5.418 240 HE1 MET 36 HE1 MET 36 41.450 22.019 4.271 241 HE2 MET 36 HE2 MET 36 40.452 20.810 5.076 242 HE3 MET 36 HE3 MET 36 40.493 22.459 5.693 243 H LEU 37 HN LEU 37 35.675 17.801 3.727 244 HA LEU 37 HA LEU 37 34.047 19.323 5.573 245 HB2 LEU 37 HB2 LEU 37 33.131 17.194 3.632 246 HB3 LEU 37 HB1 LEU 37 32.177 18.506 4.325 247 HG LEU 37 HG LEU 37 34.535 18.832 2.445 248 HD11 LEU 37 HD11 LEU 37 32.635 19.871 1.028 249 HD12 LEU 37 HD12 LEU 37 31.541 19.011 2.111 250 HD13 LEU 37 HD13 LEU 37 32.703 18.112 1.135 251 HD21 LEU 37 HD21 LEU 37 34.611 20.779 3.713 252 HD22 LEU 37 HD22 LEU 37 32.886 20.734 4.075 253 HD23 LEU 37 HD23 LEU 37 33.439 21.249 2.482 254 H VAL 38 HN VAL 38 35.489 16.224 5.508 255 HA VAL 38 HA VAL 38 33.570 15.074 7.397 256 HB VAL 38 HB VAL 38 36.067 13.914 6.136 257 HG11 VAL 38 HG11 VAL 38 34.614 11.794 6.976 258 HG12 VAL 38 HG12 VAL 38 34.177 12.962 8.223 259 HG13 VAL 38 HG13 VAL 38 35.870 12.542 7.962 260 HG21 VAL 38 HG21 VAL 38 33.345 12.873 5.560 261 HG22 VAL 38 HG22 VAL 38 34.724 13.074 4.479 262 HG23 VAL 38 HG23 VAL 38 33.716 14.462 4.893 263 H PHE 39 HN PHE 39 36.287 17.012 7.501 264 HA PHE 39 HA PHE 39 37.696 15.937 9.717 265 HB2 PHE 39 HB2 PHE 39 38.760 17.580 8.304 266 HB3 PHE 39 HB1 PHE 39 37.498 18.762 8.651 267 HD1 PHE 39 HD2 PHE 39 40.155 16.695 10.277 268 HD2 PHE 39 HD1 PHE 39 37.666 20.188 10.523 269 HE1 PHE 39 HE2 PHE 39 41.408 17.449 12.280 270 HE2 PHE 39 HE1 PHE 39 38.920 20.940 12.525 271 HZ PHE 39 HZ PHE 39 40.791 19.572 13.404 272 H LEU 40 HN LEU 40 34.880 18.001 9.414 273 HA LEU 40 HA LEU 40 34.764 18.305 12.347 274 HB2 LEU 40 HB2 LEU 40 33.021 20.032 11.838 275 HB3 LEU 40 HB1 LEU 40 34.610 20.412 11.174 276 HG LEU 40 HG LEU 40 33.060 18.801 9.318 277 HD11 LEU 40 HD11 LEU 40 31.107 19.845 10.301 278 HD12 LEU 40 HD12 LEU 40 31.434 20.642 8.762 279 HD13 LEU 40 HD13 LEU 40 31.886 21.427 10.276 280 HD21 LEU 40 HD21 LEU 40 33.734 20.560 7.780 281 HD22 LEU 40 HD22 LEU 40 35.094 20.201 8.843 282 HD23 LEU 40 HD23 LEU 40 34.114 21.640 9.121 283 H LEU 41 HN LEU 41 33.605 16.366 9.906 284 HA LEU 41 HA LEU 41 31.303 15.548 11.560 285 HB2 LEU 41 HB2 LEU 41 31.331 16.090 8.592 286 HB3 LEU 41 HB1 LEU 41 30.117 15.056 9.346 287 HG LEU 41 HG LEU 41 30.532 17.610 10.747 288 HD11 LEU 41 HD11 LEU 41 29.305 18.939 9.057 289 HD12 LEU 41 HD12 LEU 41 29.370 17.573 7.943 290 HD13 LEU 41 HD13 LEU 41 30.858 18.385 8.431 291 HD21 LEU 41 HD21 LEU 41 28.045 16.333 9.569 292 HD22 LEU 41 HD22 LEU 41 28.115 17.537 10.856 293 HD23 LEU 41 HD23 LEU 41 28.710 15.902 11.145 294 H GLY 42 HN GLY 42 32.976 13.973 12.251 295 HA2 GLY 42 HA2 GLY 42 32.601 11.427 11.509 296 HA3 GLY 42 HA1 GLY 42 33.767 11.958 10.302 297 H THR 43 HN THR 43 34.727 13.864 12.589 298 HA THR 43 HA THR 43 36.274 11.863 14.114 299 HB THR 43 HB THR 43 37.968 14.058 13.795 300 HG1 THR 43 HG1 THR 43 37.866 14.619 11.732 301 HG21 THR 43 HG21 THR 43 38.640 11.705 13.890 302 HG22 THR 43 HG22 THR 43 39.291 12.458 12.435 303 HG23 THR 43 HG23 THR 43 37.879 11.407 12.328 304 H THR 44 HN THR 44 35.043 15.164 13.875 305 HA THR 44 HA THR 44 35.853 16.257 16.269 306 HB THR 44 HB THR 44 34.312 17.204 14.371 307 HG1 THR 44 HG1 THR 44 34.693 18.735 15.750 308 HG21 THR 44 HG21 THR 44 32.184 16.553 16.396 309 HG22 THR 44 HG22 THR 44 32.532 15.440 15.073 310 HG23 THR 44 HG23 THR 44 31.995 17.083 14.724 311 H GLY 45 HN GLY 45 33.941 13.493 15.818 312 HA2 GLY 45 HA2 GLY 45 32.294 13.593 18.129 313 HA3 GLY 45 HA1 GLY 45 32.742 12.139 17.243 314 H ASN 46 HN ASN 46 34.818 11.147 17.729 315 HA ASN 46 HA ASN 46 35.980 11.914 20.322 316 HB2 ASN 46 HB2 ASN 46 34.779 9.258 19.586 317 HB3 ASN 46 HB1 ASN 46 36.080 9.356 20.772 318 HD21 ASN 46 HD21 ASN 46 33.097 11.297 20.105 319 HD22 ASN 46 HD22 ASN 46 32.580 11.306 21.721 320 H GLY 47 HN GLY 47 37.315 12.653 18.222 321 HA2 GLY 47 HA2 GLY 47 39.297 10.530 17.640 322 HA3 GLY 47 HA1 GLY 47 38.935 11.873 16.560 323 H LEU 48 HN LEU 48 38.770 13.689 18.973 324 HA LEU 48 HA LEU 48 41.672 14.143 19.210 325 HB2 LEU 48 HB2 LEU 48 41.167 16.441 19.626 326 HB3 LEU 48 HB1 LEU 48 40.183 15.946 18.252 327 HG LEU 48 HG LEU 48 38.536 15.341 20.373 328 HD11 LEU 48 HD11 LEU 48 38.608 17.118 21.964 329 HD12 LEU 48 HD12 LEU 48 39.766 18.033 21.000 330 HD13 LEU 48 HD13 LEU 48 40.275 16.562 21.824 331 HD21 LEU 48 HD21 LEU 48 37.714 16.438 18.425 332 HD22 LEU 48 HD22 LEU 48 38.804 17.807 18.644 333 HD23 LEU 48 HD23 LEU 48 37.444 17.579 19.743 334 H VAL 49 HN VAL 49 38.897 13.210 20.974 335 HA VAL 49 HA VAL 49 39.416 14.115 23.549 336 HB VAL 49 HB VAL 49 38.141 12.154 24.315 337 HG11 VAL 49 HG11 VAL 49 37.242 13.678 21.876 338 HG12 VAL 49 HG12 VAL 49 36.725 13.868 23.552 339 HG13 VAL 49 HG13 VAL 49 36.184 12.475 22.614 340 HG21 VAL 49 HG21 VAL 49 39.184 11.067 21.839 341 HG22 VAL 49 HG22 VAL 49 37.426 10.929 21.879 342 HG23 VAL 49 HG23 VAL 49 38.394 10.225 23.173 343 H LEU 50 HN LEU 50 41.389 12.227 21.629 344 HA LEU 50 HA LEU 50 42.595 10.709 23.812 345 HB2 LEU 50 HB2 LEU 50 43.636 10.884 20.990 346 HB3 LEU 50 HB1 LEU 50 43.827 9.572 22.154 347 HG LEU 50 HG LEU 50 41.238 10.411 20.812 348 HD11 LEU 50 HD11 LEU 50 43.110 9.027 19.589 349 HD12 LEU 50 HD12 LEU 50 41.432 8.492 19.495 350 HD13 LEU 50 HD13 LEU 50 42.544 7.711 20.618 351 HD21 LEU 50 HD21 LEU 50 41.880 8.385 22.965 352 HD22 LEU 50 HD22 LEU 50 40.437 8.254 21.960 353 HD23 LEU 50 HD23 LEU 50 40.663 9.661 22.999 354 H TRP 51 HN TRP 51 42.723 13.817 22.893 355 HA TRP 51 HA TRP 51 45.623 14.096 23.405 356 HB2 TRP 51 HB2 TRP 51 45.470 15.278 21.474 357 HB3 TRP 51 HB1 TRP 51 43.731 15.508 21.635 358 HD1 TRP 51 HD1 TRP 51 46.798 16.707 23.689 359 HE1 TRP 51 HE1 TRP 51 46.493 19.220 24.173 360 HE3 TRP 51 HE3 TRP 51 42.347 17.531 21.327 361 HZ2 TRP 51 HZ2 TRP 51 44.611 21.304 23.632 362 HZ3 TRP 51 HZ3 TRP 51 41.321 19.787 21.327 363 HH2 TRP 51 HH2 TRP 51 42.448 21.672 22.476 364 H THR 52 HN THR 52 42.401 15.219 24.307 365 HA THR 52 HA THR 52 43.380 17.086 26.277 366 HB THR 52 HB THR 52 41.201 17.727 26.510 367 HG1 THR 52 HG1 THR 52 39.846 15.468 25.899 368 HG21 THR 52 HG21 THR 52 41.771 17.394 24.012 369 HG22 THR 52 HG22 THR 52 40.074 17.607 24.440 370 HG23 THR 52 HG23 THR 52 40.700 15.996 24.096 371 H VAL 53 HN VAL 53 41.787 13.902 26.375 372 HA VAL 53 HA VAL 53 41.521 13.447 29.039 373 HB VAL 53 HB VAL 53 42.392 11.633 26.808 374 HG11 VAL 53 HG11 VAL 53 41.916 9.787 28.587 375 HG12 VAL 53 HG12 VAL 53 42.284 11.050 29.761 376 HG13 VAL 53 HG13 VAL 53 43.501 10.561 28.582 377 HG21 VAL 53 HG21 VAL 53 40.026 12.440 27.024 378 HG22 VAL 53 HG22 VAL 53 39.950 11.674 28.611 379 HG23 VAL 53 HG23 VAL 53 40.173 10.688 27.166 380 H PHE 54 HN PHE 54 44.522 13.538 27.217 381 HA PHE 54 HA PHE 54 46.237 12.419 29.155 382 HB2 PHE 54 HB2 PHE 54 46.547 14.128 26.749 383 HB3 PHE 54 HB1 PHE 54 47.876 14.156 27.909 384 HD1 PHE 54 HD1 PHE 54 45.558 11.338 27.124 385 HD2 PHE 54 HD2 PHE 54 49.559 12.877 26.840 386 HE1 PHE 54 HE1 PHE 54 46.343 9.142 26.280 387 HE2 PHE 54 HE2 PHE 54 50.344 10.681 25.997 388 HZ PHE 54 HZ PHE 54 48.736 8.813 25.717 389 H ARG 55 HN ARG 55 45.151 15.749 28.609 390 HA ARG 55 HA ARG 55 46.742 16.808 30.772 391 HB2 ARG 55 HB2 ARG 55 44.521 17.997 29.099 392 HB3 ARG 55 HB1 ARG 55 45.412 18.892 30.332 393 HG2 ARG 55 HG2 ARG 55 47.191 19.170 28.971 394 HG3 ARG 55 HG1 ARG 55 47.202 17.464 28.527 395 HD2 ARG 55 HD2 ARG 55 45.544 17.808 26.826 396 HD3 ARG 55 HD1 ARG 55 45.220 19.445 27.389 397 HE ARG 55 HE ARG 55 47.434 18.596 25.715 398 HH11 ARG 55 HH21 ARG 55 46.156 20.956 27.900 399 HH12 ARG 55 HH22 ARG 55 47.157 22.242 27.314 400 HH21 ARG 55 HH11 ARG 55 48.747 20.279 24.940 401 HH22 ARG 55 HH12 ARG 55 48.623 21.859 25.638 402 H LYS 56 HN LYS 56 43.317 16.034 30.245 403 HA LYS 56 HA LYS 56 42.506 16.872 32.869 404 HB2 LYS 56 HB2 LYS 56 40.985 14.958 31.107 405 HB3 LYS 56 HB1 LYS 56 40.351 16.122 32.270 406 HG2 LYS 56 HG2 LYS 56 41.666 16.718 29.608 407 HG3 LYS 56 HG1 LYS 56 40.000 17.057 30.080 408 HD2 LYS 56 HD2 LYS 56 41.051 18.484 31.975 409 HD3 LYS 56 HD1 LYS 56 42.529 18.404 31.016 410 HE2 LYS 56 HE2 LYS 56 41.295 19.317 29.067 411 HE3 LYS 56 HE1 LYS 56 39.844 19.442 30.061 412 HZ1 LYS 56 HZ1 LYS 56 40.922 21.548 30.043 413 HZ2 LYS 56 HZ2 LYS 56 42.417 20.862 30.463 414 HZ3 LYS 56 HZ3 LYS 56 41.142 20.877 31.585 415 H LYS 57 HN LYS 57 44.425 14.398 31.960 416 HA LYS 57 HA LYS 57 43.504 12.061 33.085 417 HB2 LYS 57 HB2 LYS 57 45.613 12.024 31.984 418 HB3 LYS 57 HB1 LYS 57 46.277 13.255 33.059 419 HG2 LYS 57 HG2 LYS 57 46.403 11.766 34.885 420 HG3 LYS 57 HG1 LYS 57 45.283 10.623 34.143 421 HD2 LYS 57 HD2 LYS 57 47.681 9.877 34.053 422 HD3 LYS 57 HD1 LYS 57 46.926 10.015 32.465 423 HE2 LYS 57 HE2 LYS 57 49.265 11.039 32.705 424 HE3 LYS 57 HE1 LYS 57 48.022 12.077 32.007 425 HZ1 LYS 57 HZ1 LYS 57 48.071 13.443 33.757 426 HZ2 LYS 57 HZ2 LYS 57 49.579 12.739 34.097 427 HZ3 LYS 57 HZ3 LYS 57 48.180 12.181 34.883 428 H GLY 58 HN GLY 58 45.241 14.683 34.769 429 HA2 GLY 58 HA2 GLY 58 45.159 15.364 36.971 430 HA3 GLY 58 HA1 GLY 58 43.726 14.360 37.166 431 H HIS 59 HN HIS 59 44.330 11.886 37.001 432 HA HIS 59 HA HIS 59 46.870 11.022 37.902 433 HB2 HIS 59 HB2 HIS 59 45.840 10.316 40.244 434 HB3 HIS 59 HB1 HIS 59 46.618 11.884 40.025 435 HD2 HIS 59 HD2 HIS 59 42.976 11.327 38.650 436 HE1 HIS 59 HE1 HIS 59 42.751 13.958 41.943 437 HE2 HIS 59 HE2 HIS 59 41.433 12.906 40.044 438 H HIS 60 HN HIS 60 46.043 9.693 36.069 439 HA HIS 60 HA HIS 60 44.986 7.204 37.086 440 HB2 HIS 60 HB2 HIS 60 42.892 8.400 36.689 441 HB3 HIS 60 HB1 HIS 60 43.401 8.780 35.044 442 HD2 HIS 60 HD2 HIS 60 44.045 5.155 36.387 443 HE1 HIS 60 HE1 HIS 60 40.912 4.957 33.563 444 HE2 HIS 60 HE2 HIS 60 42.491 3.580 34.999 445 H HIS 61 HN HIS 61 45.950 5.583 36.034 446 HA HIS 61 HA HIS 61 47.421 4.562 34.572 447 HB2 HIS 61 HB2 HIS 61 45.179 5.692 32.966 448 HB3 HIS 61 HB1 HIS 61 46.567 5.043 32.091 449 HD2 HIS 61 HD2 HIS 61 47.252 2.349 33.677 450 HE1 HIS 61 HE1 HIS 61 43.132 1.441 33.518 451 HE2 HIS 61 HE2 HIS 61 45.448 0.477 33.912 452 H HIS 62 HN HIS 62 49.277 5.821 35.079 453 HA HIS 62 HA HIS 62 49.863 8.238 33.622 454 HB2 HIS 62 HB2 HIS 62 51.254 6.549 35.646 455 HB3 HIS 62 HB1 HIS 62 52.245 7.600 34.634 456 HD2 HIS 62 HD2 HIS 62 48.681 8.629 36.042 457 HE1 HIS 62 HE1 HIS 62 51.584 11.261 37.614 458 HE2 HIS 62 HE2 HIS 62 49.096 10.774 37.473 459 H HIS 63 HN HIS 63 49.524 5.330 32.424 460 HA HIS 63 HA HIS 63 51.244 5.778 30.190 461 HB2 HIS 63 HB2 HIS 63 52.910 4.912 31.816 462 HB3 HIS 63 HB1 HIS 63 51.951 3.439 31.977 463 HD2 HIS 63 HD2 HIS 63 54.870 2.972 30.652 464 HE1 HIS 63 HE1 HIS 63 52.886 2.948 26.924 465 HE2 HIS 63 HE2 HIS 63 55.031 2.317 28.129 466 H HIS 64 HN HIS 64 48.795 5.599 29.734 467 HA HIS 64 HA HIS 64 47.269 3.341 29.810 468 HB2 HIS 64 HB2 HIS 64 46.377 5.333 28.821 469 HB3 HIS 64 HB1 HIS 64 47.594 5.315 27.545 470 HD2 HIS 64 HD2 HIS 64 46.865 3.838 25.305 471 HE1 HIS 64 HE1 HIS 64 43.503 1.905 26.975 472 HE2 HIS 64 HE2 HIS 64 44.830 2.269 24.840 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 43.252 -16.542 24.709 2 H2 MET 1 HT2 MET 1 43.023 -15.197 25.721 3 H3 MET 1 HT3 MET 1 44.531 -15.977 25.670 4 HA MET 1 HA MET 1 45.069 -15.141 23.600 5 HB2 MET 1 HB2 MET 1 43.396 -14.168 22.087 6 HB3 MET 1 HB1 MET 1 42.919 -15.801 22.551 7 HG2 MET 1 HG2 MET 1 40.924 -14.766 23.000 8 HG3 MET 1 HG1 MET 1 41.722 -14.412 24.533 9 HE1 MET 1 HE1 MET 1 39.864 -11.243 24.162 10 HE2 MET 1 HE2 MET 1 41.072 -11.761 25.335 11 HE3 MET 1 HE3 MET 1 39.902 -12.923 24.716 12 H GLU 2 HN GLU 2 45.947 -13.117 23.425 13 HA GLU 2 HA GLU 2 44.692 -10.816 24.660 14 HB2 GLU 2 HB2 GLU 2 46.003 -12.203 26.460 15 HB3 GLU 2 HB1 GLU 2 47.425 -11.483 25.706 16 HG2 GLU 2 HG2 GLU 2 45.049 -9.968 26.827 17 HG3 GLU 2 HG1 GLU 2 46.642 -10.084 27.569 18 H GLU 3 HN GLU 3 45.009 -10.771 22.137 19 HA GLU 3 HA GLU 3 47.514 -10.273 20.990 20 HB2 GLU 3 HB2 GLU 3 44.780 -9.211 20.244 21 HB3 GLU 3 HB1 GLU 3 46.217 -9.050 19.234 22 HG2 GLU 3 HG2 GLU 3 46.226 -11.261 18.654 23 HG3 GLU 3 HG1 GLU 3 45.634 -11.783 20.230 24 H GLY 4 HN GLY 4 48.828 -8.534 20.892 25 HA2 GLY 4 HA2 GLY 4 49.457 -6.277 21.026 26 HA3 GLY 4 HA1 GLY 4 47.881 -5.901 21.718 27 H GLY 5 HN GLY 5 50.474 -8.163 22.660 28 HA2 GLY 5 HA2 GLY 5 51.099 -6.651 25.043 29 HA3 GLY 5 HA1 GLY 5 50.220 -8.143 25.361 30 H ASP 6 HN ASP 6 51.169 -10.158 24.570 31 HA ASP 6 HA ASP 6 53.900 -10.393 25.246 32 HB2 ASP 6 HB2 ASP 6 52.074 -12.190 25.324 33 HB3 ASP 6 HB1 ASP 6 52.371 -12.399 23.599 34 H PHE 7 HN PHE 7 52.685 -8.928 22.618 35 HA PHE 7 HA PHE 7 55.144 -8.956 21.198 36 HB2 PHE 7 HB2 PHE 7 53.653 -9.951 19.110 37 HB3 PHE 7 HB1 PHE 7 54.849 -10.860 20.030 38 HD1 PHE 7 HD2 PHE 7 51.385 -9.649 20.823 39 HD2 PHE 7 HD1 PHE 7 54.047 -13.004 20.493 40 HE1 PHE 7 HE2 PHE 7 49.598 -11.149 21.662 41 HE2 PHE 7 HE1 PHE 7 52.261 -14.504 21.332 42 HZ PHE 7 HZ PHE 7 50.036 -13.577 21.918 43 H ASP 8 HN ASP 8 54.759 -6.712 21.421 44 HA ASP 8 HA ASP 8 53.221 -5.591 19.245 45 HB2 ASP 8 HB2 ASP 8 51.741 -5.898 21.419 46 HB3 ASP 8 HB1 ASP 8 52.581 -4.432 21.921 47 H ASN 9 HN ASN 9 54.456 -4.057 18.388 48 HA ASN 9 HA ASN 9 55.833 -2.131 20.066 49 HB2 ASN 9 HB2 ASN 9 57.419 -4.058 19.936 50 HB3 ASN 9 HB1 ASN 9 57.436 -3.873 18.183 51 HD21 ASN 9 HD21 ASN 9 57.068 -0.844 19.715 52 HD22 ASN 9 HD22 ASN 9 58.689 -0.349 19.640 53 H TYR 10 HN TYR 10 55.305 -3.433 16.813 54 HA TYR 10 HA TYR 10 54.674 -0.778 15.830 55 HB2 TYR 10 HB2 TYR 10 57.075 -2.309 14.807 56 HB3 TYR 10 HB1 TYR 10 56.331 -0.959 13.949 57 HD1 TYR 10 HD2 TYR 10 56.109 1.281 15.187 58 HD2 TYR 10 HD1 TYR 10 58.627 -1.923 16.543 59 HE1 TYR 10 HE2 TYR 10 57.385 2.879 16.590 60 HE2 TYR 10 HE1 TYR 10 59.903 -0.326 17.948 61 HH TYR 10 HH TYR 10 58.995 2.334 18.990 62 H TYR 11 HN TYR 11 55.862 -3.591 14.039 63 HA TYR 11 HA TYR 11 54.839 -4.989 12.531 64 HB2 TYR 11 HB2 TYR 11 53.414 -5.404 14.633 65 HB3 TYR 11 HB1 TYR 11 52.216 -4.356 13.873 66 HD1 TYR 11 HD2 TYR 11 51.291 -4.956 11.611 67 HD2 TYR 11 HD1 TYR 11 53.766 -7.641 13.872 68 HE1 TYR 11 HE2 TYR 11 50.527 -6.848 10.201 69 HE2 TYR 11 HE1 TYR 11 53.002 -9.533 12.461 70 HH TYR 11 HH TYR 11 51.245 -9.058 9.547 71 H GLY 12 HN GLY 12 52.207 -2.662 13.127 72 HA2 GLY 12 HA2 GLY 12 51.853 -2.279 10.273 73 HA3 GLY 12 HA1 GLY 12 50.875 -1.570 11.554 74 H ALA 13 HN ALA 13 52.682 -0.225 13.068 75 HA ALA 13 HA ALA 13 53.548 1.918 13.153 76 HB1 ALA 13 HB1 ALA 13 55.376 0.143 12.107 77 HB2 ALA 13 HB2 ALA 13 55.738 1.788 12.627 78 HB3 ALA 13 HB3 ALA 13 55.399 1.455 10.930 79 H ASP 14 HN ASP 14 54.684 3.582 11.300 80 HA ASP 14 HA ASP 14 52.475 4.810 10.095 81 HB2 ASP 14 HB2 ASP 14 55.422 5.059 9.456 82 HB3 ASP 14 HB1 ASP 14 54.174 6.140 8.840 83 H ASN 15 HN ASN 15 54.025 1.988 9.192 84 HA ASN 15 HA ASN 15 53.907 2.220 6.345 85 HB2 ASN 15 HB2 ASN 15 54.678 0.228 8.294 86 HB3 ASN 15 HB1 ASN 15 53.700 -0.496 7.017 87 HD21 ASN 15 HD21 ASN 15 56.841 0.716 7.781 88 HD22 ASN 15 HD22 ASN 15 57.491 0.628 6.216 89 H GLN 16 HN GLN 16 51.960 0.183 8.541 90 HA GLN 16 HA GLN 16 49.785 0.231 6.567 91 HB2 GLN 16 HB2 GLN 16 50.012 -1.434 9.083 92 HB3 GLN 16 HB1 GLN 16 48.878 -1.664 7.751 93 HG2 GLN 16 HG2 GLN 16 51.214 -1.711 6.382 94 HG3 GLN 16 HG1 GLN 16 51.756 -2.364 7.926 95 HE21 GLN 16 HE21 GLN 16 50.776 -3.449 5.015 96 HE22 GLN 16 HE22 GLN 16 49.945 -4.857 5.471 97 H SER 17 HN SER 17 50.092 2.652 7.795 98 HA SER 17 HA SER 17 47.650 2.788 9.431 99 HB2 SER 17 HB2 SER 17 49.800 2.828 10.848 100 HB3 SER 17 HB1 SER 17 50.084 4.417 10.141 101 HG SER 17 HG SER 17 47.720 3.602 11.496 102 H GLU 18 HN GLU 18 47.776 3.345 6.737 103 HA GLU 18 HA GLU 18 47.558 5.004 5.136 104 HB2 GLU 18 HB2 GLU 18 45.706 5.334 7.310 105 HB3 GLU 18 HB1 GLU 18 46.097 6.911 6.620 106 HG2 GLU 18 HG2 GLU 18 45.514 6.141 4.393 107 HG3 GLU 18 HG1 GLU 18 45.271 4.498 4.984 108 H CYS 19 HN CYS 19 49.603 5.830 4.797 109 HA CYS 19 HA CYS 19 50.467 8.082 6.486 110 HB2 CYS 19 HB2 CYS 19 51.971 6.046 5.876 111 HB3 CYS 19 HB1 CYS 19 52.128 6.844 4.310 112 HG CYS 19 HG CYS 19 52.751 8.573 6.807 113 H GLU 20 HN GLU 20 48.301 8.487 4.695 114 HA GLU 20 HA GLU 20 47.581 10.033 3.156 115 HB2 GLU 20 HB2 GLU 20 50.344 11.220 3.127 116 HB3 GLU 20 HB1 GLU 20 48.789 12.031 2.938 117 HG2 GLU 20 HG2 GLU 20 48.352 11.109 5.369 118 HG3 GLU 20 HG1 GLU 20 50.112 11.032 5.438 119 H TYR 21 HN TYR 21 48.434 7.565 2.187 120 HA TYR 21 HA TYR 21 49.387 8.346 -0.488 121 HB2 TYR 21 HB2 TYR 21 50.963 6.585 -0.610 122 HB3 TYR 21 HB1 TYR 21 51.240 7.330 0.965 123 HD1 TYR 21 HD1 TYR 21 49.956 6.320 2.989 124 HD2 TYR 21 HD2 TYR 21 50.506 4.285 -0.754 125 HE1 TYR 21 HE1 TYR 21 49.496 4.152 4.100 126 HE2 TYR 21 HE2 TYR 21 50.047 2.116 0.357 127 HH TYR 21 HH TYR 21 48.823 1.324 2.402 128 H THR 22 HN THR 22 46.729 7.795 0.526 129 HA THR 22 HA THR 22 45.879 5.931 -1.473 130 HB THR 22 HB THR 22 46.254 4.108 -0.134 131 HG1 THR 22 HG1 THR 22 44.127 3.896 -0.229 132 HG21 THR 22 HG21 THR 22 45.897 4.383 2.456 133 HG22 THR 22 HG22 THR 22 46.063 6.102 2.100 134 HG23 THR 22 HG23 THR 22 47.374 4.989 1.709 135 H ASP 23 HN ASP 23 44.976 7.476 1.605 136 HA ASP 23 HA ASP 23 42.211 7.739 0.902 137 HB2 ASP 23 HB2 ASP 23 43.861 8.228 3.197 138 HB3 ASP 23 HB1 ASP 23 42.896 9.664 2.863 139 H TRP 24 HN TRP 24 45.074 9.743 0.579 140 HA TRP 24 HA TRP 24 43.567 12.084 -0.242 141 HB2 TRP 24 HB2 TRP 24 45.531 13.220 -0.046 142 HB3 TRP 24 HB1 TRP 24 46.000 11.808 0.902 143 HD1 TRP 24 HD1 TRP 24 47.560 9.990 -0.263 144 HE1 TRP 24 HE1 TRP 24 49.143 10.140 -2.293 145 HE3 TRP 24 HE3 TRP 24 45.892 14.335 -2.366 146 HZ2 TRP 24 HZ2 TRP 24 49.636 11.872 -4.514 147 HZ3 TRP 24 HZ3 TRP 24 46.935 15.211 -4.436 148 HH2 TRP 24 HH2 TRP 24 48.803 13.986 -5.511 149 H LYS 25 HN LYS 25 44.228 9.231 -1.708 150 HA LYS 25 HA LYS 25 45.316 9.612 -4.169 151 HB2 LYS 25 HB2 LYS 25 44.366 7.468 -3.421 152 HB3 LYS 25 HB1 LYS 25 42.740 8.122 -3.614 153 HG2 LYS 25 HG2 LYS 25 42.765 7.734 -5.834 154 HG3 LYS 25 HG1 LYS 25 44.321 8.544 -6.013 155 HD2 LYS 25 HD2 LYS 25 44.035 5.722 -4.955 156 HD3 LYS 25 HD1 LYS 25 44.328 6.093 -6.654 157 HE2 LYS 25 HE2 LYS 25 46.157 7.558 -4.935 158 HE3 LYS 25 HE1 LYS 25 46.268 5.821 -4.647 159 HZ1 LYS 25 HZ1 LYS 25 47.743 6.556 -6.432 160 HZ2 LYS 25 HZ2 LYS 25 46.406 7.125 -7.312 161 HZ3 LYS 25 HZ3 LYS 25 46.575 5.464 -6.999 162 H SER 26 HN SER 26 45.090 11.353 -5.433 163 HA SER 26 HA SER 26 42.519 12.700 -5.676 164 HB2 SER 26 HB2 SER 26 44.055 14.047 -7.392 165 HB3 SER 26 HB1 SER 26 44.138 14.324 -5.655 166 HG SER 26 HG SER 26 46.002 13.323 -7.342 167 H SER 27 HN SER 27 41.357 10.978 -6.718 168 HA SER 27 HA SER 27 42.174 9.877 -9.217 169 HB2 SER 27 HB2 SER 27 39.368 10.084 -8.107 170 HB3 SER 27 HB1 SER 27 39.940 8.958 -9.333 171 HG SER 27 HG SER 27 40.013 8.726 -6.676 172 H GLY 28 HN GLY 28 40.354 12.718 -8.271 173 HA2 GLY 28 HA2 GLY 28 40.356 13.594 -11.085 174 HA3 GLY 28 HA1 GLY 28 38.854 13.655 -10.168 175 H ALA 29 HN ALA 29 41.422 14.182 -8.104 176 HA ALA 29 HA ALA 29 42.401 16.056 -7.177 177 HB1 ALA 29 HB1 ALA 29 42.847 17.875 -8.503 178 HB2 ALA 29 HB2 ALA 29 41.226 17.902 -9.197 179 HB3 ALA 29 HB3 ALA 29 42.408 16.724 -9.765 180 H LEU 30 HN LEU 30 39.808 15.096 -6.455 181 HA LEU 30 HA LEU 30 38.691 17.586 -5.347 182 HB2 LEU 30 HB2 LEU 30 36.409 16.790 -5.760 183 HB3 LEU 30 HB1 LEU 30 37.292 16.953 -7.279 184 HG LEU 30 HG LEU 30 37.849 14.348 -6.413 185 HD11 LEU 30 HD11 LEU 30 35.927 14.695 -4.801 186 HD12 LEU 30 HD12 LEU 30 35.711 13.351 -5.922 187 HD13 LEU 30 HD13 LEU 30 34.874 14.878 -6.204 188 HD21 LEU 30 HD21 LEU 30 37.506 15.087 -8.736 189 HD22 LEU 30 HD22 LEU 30 35.795 15.361 -8.406 190 HD23 LEU 30 HD23 LEU 30 36.449 13.724 -8.366 191 H ILE 31 HN ILE 31 40.111 14.752 -4.715 192 HA ILE 31 HA ILE 31 38.413 13.703 -2.655 193 HB ILE 31 HB ILE 31 40.930 12.982 -3.926 194 HG12 ILE 31 HG12 ILE 31 40.112 10.730 -3.370 195 HG13 ILE 31 HG11 ILE 31 38.885 11.431 -2.313 196 HG21 ILE 31 HG21 ILE 31 40.689 12.583 -0.922 197 HG22 ILE 31 HG22 ILE 31 41.969 13.463 -1.769 198 HG23 ILE 31 HG23 ILE 31 41.821 11.719 -1.960 199 HD11 ILE 31 HD11 ILE 31 38.556 10.872 -5.010 200 HD12 ILE 31 HD12 ILE 31 38.873 12.607 -4.996 201 HD13 ILE 31 HD13 ILE 31 37.536 11.948 -4.054 202 HA PRO 32 HA PRO 32 41.775 15.991 0.101 203 HB2 PRO 32 HB2 PRO 32 42.042 18.446 -1.550 204 HB3 PRO 32 HB1 PRO 32 43.281 17.547 -0.654 205 HG2 PRO 32 HG2 PRO 32 43.132 17.463 -3.317 206 HG3 PRO 32 HG1 PRO 32 43.621 16.054 -2.359 207 HD2 PRO 32 HD2 PRO 32 41.008 16.599 -3.714 208 HD3 PRO 32 HD1 PRO 32 41.864 15.056 -3.491 209 H ALA 33 HN ALA 33 38.962 16.891 -1.510 210 HA ALA 33 HA ALA 33 38.305 19.041 0.386 211 HB1 ALA 33 HB1 ALA 33 36.400 19.495 -1.076 212 HB2 ALA 33 HB2 ALA 33 36.789 18.077 -2.051 213 HB3 ALA 33 HB3 ALA 33 37.890 19.454 -2.019 214 H ILE 34 HN ILE 34 36.669 16.191 -1.021 215 HA ILE 34 HA ILE 34 34.591 15.994 0.808 216 HB ILE 34 HB ILE 34 36.067 13.767 -0.617 217 HG12 ILE 34 HG12 ILE 34 33.430 15.059 -1.343 218 HG13 ILE 34 HG11 ILE 34 34.967 15.673 -1.955 219 HG21 ILE 34 HG21 ILE 34 33.515 13.861 0.985 220 HG22 ILE 34 HG22 ILE 34 34.822 12.678 1.058 221 HG23 ILE 34 HG23 ILE 34 33.717 12.686 -0.317 222 HD11 ILE 34 HD11 ILE 34 34.003 14.100 -3.567 223 HD12 ILE 34 HD12 ILE 34 33.896 12.859 -2.320 224 HD13 ILE 34 HD13 ILE 34 35.475 13.418 -2.874 225 H TYR 35 HN TYR 35 37.930 14.937 1.087 226 HA TYR 35 HA TYR 35 37.643 13.304 3.377 227 HB2 TYR 35 HB2 TYR 35 39.771 12.936 2.768 228 HB3 TYR 35 HB1 TYR 35 39.808 14.410 1.799 229 HD1 TYR 35 HD2 TYR 35 40.430 12.963 5.135 230 HD2 TYR 35 HD1 TYR 35 40.598 16.517 2.727 231 HE1 TYR 35 HE2 TYR 35 41.828 14.066 6.861 232 HE2 TYR 35 HE1 TYR 35 41.997 17.620 4.454 233 HH TYR 35 HH TYR 35 43.683 16.218 6.622 234 H MET 36 HN MET 36 38.031 16.772 2.946 235 HA MET 36 HA MET 36 38.557 17.369 5.690 236 HB2 MET 36 HB2 MET 36 39.156 18.912 3.863 237 HB3 MET 36 HB1 MET 36 37.444 19.144 3.504 238 HG2 MET 36 HG2 MET 36 37.955 19.548 6.329 239 HG3 MET 36 HG1 MET 36 38.988 20.594 5.355 240 HE1 MET 36 HE1 MET 36 36.617 21.456 2.657 241 HE2 MET 36 HE2 MET 36 38.267 21.415 3.271 242 HE3 MET 36 HE3 MET 36 37.279 22.852 3.518 243 H LEU 37 HN LEU 37 35.646 17.121 3.718 244 HA LEU 37 HA LEU 37 33.867 18.211 5.669 245 HB2 LEU 37 HB2 LEU 37 33.153 16.279 3.458 246 HB3 LEU 37 HB1 LEU 37 32.108 17.473 4.231 247 HG LEU 37 HG LEU 37 34.537 18.071 2.517 248 HD11 LEU 37 HD11 LEU 37 33.091 18.078 0.795 249 HD12 LEU 37 HD12 LEU 37 32.109 19.287 1.622 250 HD13 LEU 37 HD13 LEU 37 31.798 17.570 1.880 251 HD21 LEU 37 HD21 LEU 37 34.487 19.824 4.077 252 HD22 LEU 37 HD22 LEU 37 32.729 19.772 4.220 253 HD23 LEU 37 HD23 LEU 37 33.477 20.452 2.774 254 H VAL 38 HN VAL 38 35.760 15.729 6.136 255 HA VAL 38 HA VAL 38 33.769 14.276 7.747 256 HB VAL 38 HB VAL 38 35.843 12.983 5.960 257 HG11 VAL 38 HG11 VAL 38 34.196 12.022 8.247 258 HG12 VAL 38 HG12 VAL 38 35.773 11.466 7.684 259 HG13 VAL 38 HG13 VAL 38 34.308 10.956 6.847 260 HG21 VAL 38 HG21 VAL 38 32.808 12.930 5.912 261 HG22 VAL 38 HG22 VAL 38 33.866 12.030 4.826 262 HG23 VAL 38 HG23 VAL 38 33.834 13.792 4.766 263 H PHE 39 HN PHE 39 36.380 16.127 7.825 264 HA PHE 39 HA PHE 39 37.931 14.545 9.749 265 HB2 PHE 39 HB2 PHE 39 39.398 15.624 8.293 266 HB3 PHE 39 HB1 PHE 39 38.417 17.088 8.228 267 HD1 PHE 39 HD2 PHE 39 40.464 15.016 10.577 268 HD2 PHE 39 HD1 PHE 39 38.904 18.906 9.636 269 HE1 PHE 39 HE2 PHE 39 41.805 15.998 12.417 270 HE2 PHE 39 HE1 PHE 39 40.245 19.888 11.477 271 HZ PHE 39 HZ PHE 39 41.695 18.435 12.867 272 H LEU 40 HN LEU 40 36.446 17.788 9.551 273 HA LEU 40 HA LEU 40 36.718 18.329 12.332 274 HB2 LEU 40 HB2 LEU 40 34.977 20.126 11.809 275 HB3 LEU 40 HB1 LEU 40 36.488 20.209 10.901 276 HG LEU 40 HG LEU 40 34.505 18.492 9.610 277 HD11 LEU 40 HD11 LEU 40 33.881 21.440 9.965 278 HD12 LEU 40 HD12 LEU 40 32.943 20.104 10.634 279 HD13 LEU 40 HD13 LEU 40 33.028 20.336 8.888 280 HD21 LEU 40 HD21 LEU 40 35.181 19.811 7.662 281 HD22 LEU 40 HD22 LEU 40 36.610 19.367 8.593 282 HD23 LEU 40 HD23 LEU 40 35.955 21.001 8.708 283 H LEU 41 HN LEU 41 34.836 16.102 10.792 284 HA LEU 41 HA LEU 41 32.816 16.143 12.955 285 HB2 LEU 41 HB2 LEU 41 32.460 15.513 10.023 286 HB3 LEU 41 HB1 LEU 41 31.284 15.044 11.252 287 HG LEU 41 HG LEU 41 32.145 17.854 11.435 288 HD11 LEU 41 HD11 LEU 41 32.163 17.620 8.991 289 HD12 LEU 41 HD12 LEU 41 30.762 18.564 9.496 290 HD13 LEU 41 HD13 LEU 41 30.567 16.872 9.035 291 HD21 LEU 41 HD21 LEU 41 30.280 16.779 12.718 292 HD22 LEU 41 HD22 LEU 41 29.414 16.549 11.199 293 HD23 LEU 41 HD23 LEU 41 29.753 18.178 11.784 294 H GLY 42 HN GLY 42 35.165 14.389 11.161 295 HA2 GLY 42 HA2 GLY 42 34.247 11.746 11.788 296 HA3 GLY 42 HA1 GLY 42 35.844 12.179 11.186 297 H THR 43 HN THR 43 36.688 13.933 13.165 298 HA THR 43 HA THR 43 37.026 12.083 15.435 299 HB THR 43 HB THR 43 39.163 12.587 14.670 300 HG1 THR 43 HG1 THR 43 38.611 13.403 16.909 301 HG21 THR 43 HG21 THR 43 37.981 15.273 14.001 302 HG22 THR 43 HG22 THR 43 38.781 14.121 12.931 303 HG23 THR 43 HG23 THR 43 39.729 15.057 14.089 304 H THR 44 HN THR 44 36.282 15.446 14.616 305 HA THR 44 HA THR 44 35.908 16.269 17.341 306 HB THR 44 HB THR 44 34.485 18.006 15.629 307 HG1 THR 44 HG1 THR 44 37.015 17.450 14.534 308 HG21 THR 44 HG21 THR 44 37.292 18.077 16.765 309 HG22 THR 44 HG22 THR 44 35.832 18.725 17.512 310 HG23 THR 44 HG23 THR 44 36.478 19.468 16.050 311 H GLY 45 HN GLY 45 34.138 14.283 15.354 312 HA2 GLY 45 HA2 GLY 45 31.532 15.109 16.448 313 HA3 GLY 45 HA1 GLY 45 31.779 14.000 15.101 314 H ASN 46 HN ASN 46 34.028 12.800 16.865 315 HA ASN 46 HA ASN 46 32.345 11.333 18.786 316 HB2 ASN 46 HB2 ASN 46 32.732 9.276 17.881 317 HB3 ASN 46 HB1 ASN 46 32.872 10.214 16.395 318 HD21 ASN 46 HD21 ASN 46 35.269 11.137 16.095 319 HD22 ASN 46 HD22 ASN 46 36.507 10.022 16.416 320 H GLY 47 HN GLY 47 35.626 11.944 17.565 321 HA2 GLY 47 HA2 GLY 47 37.002 10.945 19.833 322 HA3 GLY 47 HA1 GLY 47 37.659 12.059 18.638 323 H LEU 48 HN LEU 48 35.445 11.969 21.428 324 HA LEU 48 HA LEU 48 36.664 14.429 22.436 325 HB2 LEU 48 HB2 LEU 48 33.946 14.245 21.313 326 HB3 LEU 48 HB1 LEU 48 34.029 14.985 22.912 327 HG LEU 48 HG LEU 48 35.914 15.812 20.704 328 HD11 LEU 48 HD11 LEU 48 34.150 17.812 20.655 329 HD12 LEU 48 HD12 LEU 48 33.042 16.524 21.124 330 HD13 LEU 48 HD13 LEU 48 33.957 16.396 19.623 331 HD21 LEU 48 HD21 LEU 48 35.829 16.396 23.392 332 HD22 LEU 48 HD22 LEU 48 34.911 17.734 22.704 333 HD23 LEU 48 HD23 LEU 48 36.563 17.431 22.167 334 H VAL 49 HN VAL 49 35.015 11.460 22.861 335 HA VAL 49 HA VAL 49 34.580 11.906 25.726 336 HB VAL 49 HB VAL 49 32.792 10.786 24.500 337 HG11 VAL 49 HG11 VAL 49 34.916 9.591 23.113 338 HG12 VAL 49 HG12 VAL 49 33.199 9.246 22.904 339 HG13 VAL 49 HG13 VAL 49 34.167 8.271 24.011 340 HG21 VAL 49 HG21 VAL 49 32.395 9.209 26.134 341 HG22 VAL 49 HG22 VAL 49 33.770 10.019 26.885 342 HG23 VAL 49 HG23 VAL 49 34.011 8.513 26.000 343 H LEU 50 HN LEU 50 37.076 10.984 23.763 344 HA LEU 50 HA LEU 50 38.366 9.512 25.967 345 HB2 LEU 50 HB2 LEU 50 39.393 7.970 24.338 346 HB3 LEU 50 HB1 LEU 50 37.634 7.839 24.330 347 HG LEU 50 HG LEU 50 38.102 9.835 22.476 348 HD11 LEU 50 HD11 LEU 50 40.111 7.640 21.935 349 HD12 LEU 50 HD12 LEU 50 40.566 9.168 22.692 350 HD13 LEU 50 HD13 LEU 50 39.898 9.156 21.060 351 HD21 LEU 50 HD21 LEU 50 36.504 7.979 22.258 352 HD22 LEU 50 HD22 LEU 50 37.835 6.842 22.043 353 HD23 LEU 50 HD23 LEU 50 37.521 8.074 20.821 354 H TRP 51 HN TRP 51 38.389 12.164 24.086 355 HA TRP 51 HA TRP 51 41.275 12.256 23.605 356 HB2 TRP 51 HB2 TRP 51 40.184 13.212 21.791 357 HB3 TRP 51 HB1 TRP 51 38.933 13.942 22.798 358 HD1 TRP 51 HD1 TRP 51 42.768 14.266 22.346 359 HE1 TRP 51 HE1 TRP 51 43.392 16.755 22.602 360 HE3 TRP 51 HE3 TRP 51 38.170 16.228 23.387 361 HZ2 TRP 51 HZ2 TRP 51 42.112 19.247 23.174 362 HZ3 TRP 51 HZ3 TRP 51 37.901 18.660 23.783 363 HH2 TRP 51 HH2 TRP 51 39.864 20.170 23.677 364 H THR 52 HN THR 52 39.056 14.741 24.853 365 HA THR 52 HA THR 52 40.926 16.129 26.361 366 HB THR 52 HB THR 52 38.768 17.101 25.930 367 HG1 THR 52 HG1 THR 52 38.662 18.018 27.824 368 HG21 THR 52 HG21 THR 52 37.611 14.902 27.665 369 HG22 THR 52 HG22 THR 52 37.514 14.946 25.904 370 HG23 THR 52 HG23 THR 52 36.709 16.188 26.863 371 H VAL 53 HN VAL 53 38.975 13.321 27.233 372 HA VAL 53 HA VAL 53 39.312 13.197 29.961 373 HB VAL 53 HB VAL 53 39.469 10.889 28.006 374 HG11 VAL 53 HG11 VAL 53 39.617 11.061 30.910 375 HG12 VAL 53 HG12 VAL 53 39.863 9.665 29.861 376 HG13 VAL 53 HG13 VAL 53 38.237 10.096 30.389 377 HG21 VAL 53 HG21 VAL 53 36.994 10.730 28.784 378 HG22 VAL 53 HG22 VAL 53 37.409 11.973 27.602 379 HG23 VAL 53 HG23 VAL 53 37.202 12.404 29.300 380 H PHE 54 HN PHE 54 41.631 12.350 27.435 381 HA PHE 54 HA PHE 54 43.589 11.270 29.228 382 HB2 PHE 54 HB2 PHE 54 43.291 10.994 26.618 383 HB3 PHE 54 HB1 PHE 54 44.335 12.414 26.567 384 HD1 PHE 54 HD1 PHE 54 46.617 12.340 27.517 385 HD2 PHE 54 HD2 PHE 54 44.114 8.852 27.391 386 HE1 PHE 54 HE1 PHE 54 48.592 10.908 27.957 387 HE2 PHE 54 HE2 PHE 54 46.089 7.419 27.831 388 HZ PHE 54 HZ PHE 54 48.328 8.446 28.114 389 H ARG 55 HN ARG 55 42.647 14.442 28.308 390 HA ARG 55 HA ARG 55 45.199 15.631 29.108 391 HB2 ARG 55 HB2 ARG 55 42.693 16.652 27.817 392 HB3 ARG 55 HB1 ARG 55 43.789 17.784 28.611 393 HG2 ARG 55 HG2 ARG 55 44.335 17.542 26.210 394 HG3 ARG 55 HG1 ARG 55 45.654 16.964 27.229 395 HD2 ARG 55 HD2 ARG 55 45.056 14.678 26.871 396 HD3 ARG 55 HD1 ARG 55 43.514 15.125 26.145 397 HE ARG 55 HE ARG 55 45.818 16.157 24.727 398 HH11 ARG 55 HH21 ARG 55 43.635 13.512 25.190 399 HH12 ARG 55 HH22 ARG 55 43.878 12.853 23.606 400 HH21 ARG 55 HH11 ARG 55 46.143 15.299 22.648 401 HH22 ARG 55 HH12 ARG 55 45.298 13.865 22.168 402 H LYS 56 HN LYS 56 41.880 15.293 30.222 403 HA LYS 56 HA LYS 56 41.976 17.153 32.346 404 HB2 LYS 56 HB2 LYS 56 40.340 14.627 32.023 405 HB3 LYS 56 HB1 LYS 56 40.064 15.849 33.265 406 HG2 LYS 56 HG2 LYS 56 40.251 16.811 30.452 407 HG3 LYS 56 HG1 LYS 56 38.801 15.908 30.891 408 HD2 LYS 56 HD2 LYS 56 38.270 17.442 32.654 409 HD3 LYS 56 HD1 LYS 56 39.843 18.227 32.530 410 HE2 LYS 56 HE2 LYS 56 38.394 18.202 29.988 411 HE3 LYS 56 HE1 LYS 56 37.524 19.062 31.259 412 HZ1 LYS 56 HZ1 LYS 56 39.233 20.560 31.539 413 HZ2 LYS 56 HZ2 LYS 56 39.263 20.317 29.859 414 HZ3 LYS 56 HZ3 LYS 56 40.400 19.540 30.852 415 H LYS 57 HN LYS 57 42.794 13.712 32.156 416 HA LYS 57 HA LYS 57 43.168 13.091 34.815 417 HB2 LYS 57 HB2 LYS 57 44.890 11.475 34.035 418 HB3 LYS 57 HB1 LYS 57 43.422 11.426 33.057 419 HG2 LYS 57 HG2 LYS 57 44.692 11.801 31.237 420 HG3 LYS 57 HG1 LYS 57 45.058 13.401 31.881 421 HD2 LYS 57 HD2 LYS 57 47.155 12.256 31.468 422 HD3 LYS 57 HD1 LYS 57 46.921 12.366 33.212 423 HE2 LYS 57 HE2 LYS 57 47.106 10.129 33.345 424 HE3 LYS 57 HE1 LYS 57 45.639 9.980 32.380 425 HZ1 LYS 57 HZ1 LYS 57 48.099 10.586 30.944 426 HZ2 LYS 57 HZ2 LYS 57 46.797 9.590 30.500 427 HZ3 LYS 57 HZ3 LYS 57 47.968 9.025 31.592 428 H GLY 58 HN GLY 58 45.139 15.098 32.743 429 HA2 GLY 58 HA2 GLY 58 46.633 16.755 33.496 430 HA3 GLY 58 HA1 GLY 58 46.683 15.967 35.070 431 H HIS 59 HN HIS 59 47.342 14.861 31.740 432 HA HIS 59 HA HIS 59 49.054 13.530 30.938 433 HB2 HIS 59 HB2 HIS 59 50.544 15.636 32.518 434 HB3 HIS 59 HB1 HIS 59 51.316 14.522 31.389 435 HD2 HIS 59 HD2 HIS 59 47.855 15.831 30.227 436 HE1 HIS 59 HE1 HIS 59 50.782 18.021 28.113 437 HE2 HIS 59 HE2 HIS 59 48.299 17.514 28.280 438 H HIS 60 HN HIS 60 48.764 11.541 31.904 439 HA HIS 60 HA HIS 60 49.409 9.713 33.144 440 HB2 HIS 60 HB2 HIS 60 51.703 11.233 32.967 441 HB3 HIS 60 HB1 HIS 60 51.507 11.031 34.709 442 HD2 HIS 60 HD2 HIS 60 52.735 8.703 35.506 443 HE1 HIS 60 HE1 HIS 60 52.114 6.439 31.997 444 HE2 HIS 60 HE2 HIS 60 53.117 6.403 34.329 445 H HIS 61 HN HIS 61 49.786 9.062 35.546 446 HA HIS 61 HA HIS 61 47.756 10.477 37.101 447 HB2 HIS 61 HB2 HIS 61 49.208 8.009 38.014 448 HB3 HIS 61 HB1 HIS 61 47.566 8.534 38.388 449 HD2 HIS 61 HD2 HIS 61 46.182 8.799 35.524 450 HE1 HIS 61 HE1 HIS 61 47.836 5.032 34.577 451 HE2 HIS 61 HE2 HIS 61 46.081 6.744 33.916 452 H HIS 62 HN HIS 62 48.104 11.267 39.198 453 HA HIS 62 HA HIS 62 50.765 11.265 40.342 454 HB2 HIS 62 HB2 HIS 62 50.994 13.718 40.349 455 HB3 HIS 62 HB1 HIS 62 50.965 13.083 38.703 456 HD2 HIS 62 HD2 HIS 62 49.032 15.618 40.844 457 HE1 HIS 62 HE1 HIS 62 46.660 14.901 37.425 458 HE2 HIS 62 HE2 HIS 62 46.959 16.394 39.458 459 H HIS 63 HN HIS 63 49.504 10.212 42.000 460 HA HIS 63 HA HIS 63 48.424 12.127 43.904 461 HB2 HIS 63 HB2 HIS 63 46.366 10.646 44.229 462 HB3 HIS 63 HB1 HIS 63 46.380 11.669 42.792 463 HD2 HIS 63 HD2 HIS 63 45.406 10.112 40.736 464 HE1 HIS 63 HE1 HIS 63 47.382 6.510 41.711 465 HE2 HIS 63 HE2 HIS 63 45.844 7.636 40.033 466 H HIS 64 HN HIS 64 50.770 10.598 43.960 467 HA HIS 64 HA HIS 64 50.679 8.116 45.188 468 HB2 HIS 64 HB2 HIS 64 52.608 10.413 45.377 469 HB3 HIS 64 HB1 HIS 64 52.846 8.962 46.350 470 HD2 HIS 64 HD2 HIS 64 54.294 7.063 44.978 471 HE1 HIS 64 HE1 HIS 64 53.306 8.255 41.050 472 HE2 HIS 64 HE2 HIS 64 54.663 6.613 42.432 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 61.109 -5.442 -22.138 2 H2 MET 1 HT2 MET 1 60.084 -4.820 -23.342 3 H3 MET 1 HT3 MET 1 59.533 -6.046 -22.302 4 HA MET 1 HA MET 1 58.695 -3.763 -21.779 5 HB2 MET 1 HB2 MET 1 60.313 -5.328 -19.748 6 HB3 MET 1 HB1 MET 1 59.190 -4.035 -19.321 7 HG2 MET 1 HG2 MET 1 57.339 -5.295 -19.809 8 HG3 MET 1 HG1 MET 1 58.137 -6.142 -21.134 9 HE1 MET 1 HE1 MET 1 58.173 -7.099 -16.664 10 HE2 MET 1 HE2 MET 1 56.933 -6.232 -17.567 11 HE3 MET 1 HE3 MET 1 58.517 -5.497 -17.333 12 H GLU 2 HN GLU 2 59.734 -2.018 -22.766 13 HA GLU 2 HA GLU 2 61.235 -0.284 -23.015 14 HB2 GLU 2 HB2 GLU 2 61.704 -0.408 -20.058 15 HB3 GLU 2 HB1 GLU 2 61.472 1.000 -21.094 16 HG2 GLU 2 HG2 GLU 2 59.088 -0.008 -21.490 17 HG3 GLU 2 HG1 GLU 2 59.414 -0.900 -20.003 18 H GLU 3 HN GLU 3 62.505 -2.521 -23.721 19 HA GLU 3 HA GLU 3 64.761 -3.316 -22.274 20 HB2 GLU 3 HB2 GLU 3 64.150 -3.256 -25.225 21 HB3 GLU 3 HB1 GLU 3 65.685 -3.868 -24.609 22 HG2 GLU 3 HG2 GLU 3 64.464 -5.471 -23.175 23 HG3 GLU 3 HG1 GLU 3 62.936 -4.874 -23.819 24 H GLY 4 HN GLY 4 66.647 -2.368 -21.820 25 HA2 GLY 4 HA2 GLY 4 68.229 -0.774 -23.396 26 HA3 GLY 4 HA1 GLY 4 67.137 0.353 -22.597 27 H GLY 5 HN GLY 5 68.423 -2.658 -21.262 28 HA2 GLY 5 HA2 GLY 5 69.091 -1.570 -18.767 29 HA3 GLY 5 HA1 GLY 5 69.723 -3.082 -19.411 30 H ASP 6 HN ASP 6 70.476 0.084 -18.521 31 HA ASP 6 HA ASP 6 72.328 1.435 -18.806 32 HB2 ASP 6 HB2 ASP 6 73.076 -0.686 -17.489 33 HB3 ASP 6 HB1 ASP 6 73.923 -1.103 -18.979 34 H PHE 7 HN PHE 7 71.001 0.793 -21.257 35 HA PHE 7 HA PHE 7 73.253 1.184 -23.094 36 HB2 PHE 7 HB2 PHE 7 71.534 -1.187 -23.010 37 HB3 PHE 7 HB1 PHE 7 71.583 -0.412 -24.594 38 HD1 PHE 7 HD2 PHE 7 73.861 0.123 -25.619 39 HD2 PHE 7 HD1 PHE 7 73.366 -2.463 -22.225 40 HE1 PHE 7 HE2 PHE 7 76.113 -0.836 -26.021 41 HE2 PHE 7 HE1 PHE 7 75.619 -3.420 -22.626 42 HZ PHE 7 HZ PHE 7 76.992 -2.607 -24.524 43 H ASP 8 HN ASP 8 70.294 2.100 -21.941 44 HA ASP 8 HA ASP 8 69.926 4.044 -24.018 45 HB2 ASP 8 HB2 ASP 8 68.508 1.545 -24.202 46 HB3 ASP 8 HB1 ASP 8 67.369 2.862 -23.930 47 H ASN 9 HN ASN 9 68.732 5.775 -23.316 48 HA ASN 9 HA ASN 9 67.254 5.513 -20.787 49 HB2 ASN 9 HB2 ASN 9 69.814 6.616 -20.918 50 HB3 ASN 9 HB1 ASN 9 68.733 8.009 -20.900 51 HD21 ASN 9 HD21 ASN 9 69.496 4.996 -19.109 52 HD22 ASN 9 HD22 ASN 9 68.879 5.543 -17.626 53 H TYR 10 HN TYR 10 67.087 6.273 -23.895 54 HA TYR 10 HA TYR 10 65.531 7.429 -25.135 55 HB2 TYR 10 HB2 TYR 10 64.341 8.663 -22.682 56 HB3 TYR 10 HB1 TYR 10 63.545 8.091 -24.148 57 HD1 TYR 10 HD1 TYR 10 64.511 5.403 -24.532 58 HD2 TYR 10 HD2 TYR 10 63.544 7.419 -20.863 59 HE1 TYR 10 HE1 TYR 10 64.070 3.217 -23.445 60 HE2 TYR 10 HE2 TYR 10 63.103 5.235 -19.778 61 HH TYR 10 HH TYR 10 63.374 2.992 -19.987 62 H TYR 11 HN TYR 11 66.928 9.179 -22.393 63 HA TYR 11 HA TYR 11 68.126 11.157 -22.376 64 HB2 TYR 11 HB2 TYR 11 68.549 10.362 -24.896 65 HB3 TYR 11 HB1 TYR 11 67.542 11.772 -25.228 66 HD1 TYR 11 HD2 TYR 11 68.203 14.018 -24.273 67 HD2 TYR 11 HD1 TYR 11 70.802 10.600 -24.162 68 HE1 TYR 11 HE2 TYR 11 70.140 15.505 -23.842 69 HE2 TYR 11 HE1 TYR 11 72.740 12.088 -23.732 70 HH TYR 11 HH TYR 11 73.069 14.426 -22.711 71 H GLY 12 HN GLY 12 67.291 12.925 -21.478 72 HA2 GLY 12 HA2 GLY 12 65.804 14.591 -20.921 73 HA3 GLY 12 HA1 GLY 12 65.515 14.724 -22.653 74 H ALA 13 HN ALA 13 64.861 11.988 -20.490 75 HA ALA 13 HA ALA 13 62.091 11.951 -21.447 76 HB1 ALA 13 HB1 ALA 13 62.434 9.738 -21.399 77 HB2 ALA 13 HB2 ALA 13 62.546 9.827 -19.641 78 HB3 ALA 13 HB3 ALA 13 64.003 9.964 -20.626 79 H ASP 14 HN ASP 14 63.976 12.533 -18.562 80 HA ASP 14 HA ASP 14 62.102 12.262 -16.548 81 HB2 ASP 14 HB2 ASP 14 64.162 14.464 -16.810 82 HB3 ASP 14 HB1 ASP 14 63.379 13.949 -15.318 83 H ASN 15 HN ASN 15 62.260 14.632 -19.080 84 HA ASN 15 HA ASN 15 60.878 16.791 -18.115 85 HB2 ASN 15 HB2 ASN 15 61.582 15.849 -20.633 86 HB3 ASN 15 HB1 ASN 15 59.825 15.973 -20.704 87 HD21 ASN 15 HD21 ASN 15 62.774 17.867 -19.967 88 HD22 ASN 15 HD22 ASN 15 62.061 19.379 -20.262 89 H GLN 16 HN GLN 16 59.564 13.653 -19.077 90 HA GLN 16 HA GLN 16 56.860 14.531 -18.334 91 HB2 GLN 16 HB2 GLN 16 57.637 11.836 -19.446 92 HB3 GLN 16 HB1 GLN 16 56.055 12.616 -19.476 93 HG2 GLN 16 HG2 GLN 16 56.999 14.402 -20.936 94 HG3 GLN 16 HG1 GLN 16 58.530 13.528 -20.969 95 HE21 GLN 16 HE21 GLN 16 58.552 12.817 -23.150 96 HE22 GLN 16 HE22 GLN 16 57.347 11.829 -23.823 97 H SER 17 HN SER 17 58.696 14.338 -16.224 98 HA SER 17 HA SER 17 57.983 11.819 -14.867 99 HB2 SER 17 HB2 SER 17 59.774 12.353 -13.304 100 HB3 SER 17 HB1 SER 17 60.384 12.435 -14.955 101 HG SER 17 HG SER 17 59.426 14.809 -14.405 102 H GLU 18 HN GLU 18 58.199 12.592 -12.247 103 HA GLU 18 HA GLU 18 55.646 13.582 -11.656 104 HB2 GLU 18 HB2 GLU 18 58.056 13.719 -9.834 105 HB3 GLU 18 HB1 GLU 18 56.358 13.637 -9.362 106 HG2 GLU 18 HG2 GLU 18 56.566 11.396 -9.310 107 HG3 GLU 18 HG1 GLU 18 56.741 11.440 -11.064 108 H CYS 19 HN CYS 19 55.370 15.501 -12.887 109 HA CYS 19 HA CYS 19 56.537 17.872 -11.587 110 HB2 CYS 19 HB2 CYS 19 57.732 17.300 -13.761 111 HB3 CYS 19 HB1 CYS 19 56.217 17.673 -14.582 112 HG CYS 19 HG CYS 19 56.992 20.025 -14.478 113 H GLU 20 HN GLU 20 54.185 16.835 -14.068 114 HA GLU 20 HA GLU 20 52.154 18.498 -12.732 115 HB2 GLU 20 HB2 GLU 20 52.570 18.455 -15.729 116 HB3 GLU 20 HB1 GLU 20 51.400 19.423 -14.831 117 HG2 GLU 20 HG2 GLU 20 53.296 20.543 -13.652 118 HG3 GLU 20 HG1 GLU 20 54.418 19.645 -14.672 119 H TYR 21 HN TYR 21 53.032 15.521 -13.639 120 HA TYR 21 HA TYR 21 50.367 14.685 -14.573 121 HB2 TYR 21 HB2 TYR 21 52.927 13.076 -14.414 122 HB3 TYR 21 HB1 TYR 21 51.422 12.588 -15.195 123 HD1 TYR 21 HD1 TYR 21 50.665 13.669 -17.274 124 HD2 TYR 21 HD2 TYR 21 54.399 14.721 -15.429 125 HE1 TYR 21 HE1 TYR 21 51.373 14.809 -19.359 126 HE2 TYR 21 HE2 TYR 21 55.108 15.862 -17.514 127 HH TYR 21 HH TYR 21 54.204 15.424 -20.245 128 H THR 22 HN THR 22 51.917 15.150 -11.725 129 HA THR 22 HA THR 22 50.218 13.177 -10.371 130 HB THR 22 HB THR 22 51.965 12.278 -9.047 131 HG1 THR 22 HG1 THR 22 53.285 13.863 -8.515 132 HG21 THR 22 HG21 THR 22 51.871 11.469 -11.420 133 HG22 THR 22 HG22 THR 22 53.465 11.303 -10.682 134 HG23 THR 22 HG23 THR 22 53.151 12.618 -11.813 135 H ASP 23 HN ASP 23 52.301 16.018 -10.199 136 HA ASP 23 HA ASP 23 52.043 16.880 -7.630 137 HB2 ASP 23 HB2 ASP 23 52.848 18.041 -9.985 138 HB3 ASP 23 HB1 ASP 23 51.443 19.015 -9.553 139 H TRP 24 HN TRP 24 49.541 16.799 -10.084 140 HA TRP 24 HA TRP 24 47.644 18.094 -8.241 141 HB2 TRP 24 HB2 TRP 24 46.168 18.273 -10.191 142 HB3 TRP 24 HB1 TRP 24 47.746 18.980 -10.540 143 HD1 TRP 24 HD1 TRP 24 49.516 17.261 -11.838 144 HE1 TRP 24 HE1 TRP 24 49.005 15.573 -13.720 145 HE3 TRP 24 HE3 TRP 24 44.471 16.753 -11.228 146 HZ2 TRP 24 HZ2 TRP 24 46.757 14.191 -14.820 147 HZ3 TRP 24 HZ3 TRP 24 43.171 15.246 -12.704 148 HH2 TRP 24 HH2 TRP 24 44.308 13.966 -14.498 149 H LYS 25 HN LYS 25 47.716 15.308 -10.479 150 HA LYS 25 HA LYS 25 46.440 13.394 -10.494 151 HB2 LYS 25 HB2 LYS 25 48.344 12.888 -8.989 152 HB3 LYS 25 HB1 LYS 25 47.372 13.414 -7.614 153 HG2 LYS 25 HG2 LYS 25 46.248 11.464 -7.548 154 HG3 LYS 25 HG1 LYS 25 45.943 11.500 -9.283 155 HD2 LYS 25 HD2 LYS 25 48.624 10.731 -8.108 156 HD3 LYS 25 HD1 LYS 25 47.365 9.550 -8.472 157 HE2 LYS 25 HE2 LYS 25 47.805 11.379 -10.700 158 HE3 LYS 25 HE1 LYS 25 49.278 10.517 -10.260 159 HZ1 LYS 25 HZ1 LYS 25 46.641 9.260 -10.794 160 HZ2 LYS 25 HZ2 LYS 25 48.073 8.437 -10.393 161 HZ3 LYS 25 HZ3 LYS 25 47.957 9.278 -11.865 162 H SER 26 HN SER 26 44.323 14.044 -10.796 163 HA SER 26 HA SER 26 42.629 13.888 -8.409 164 HB2 SER 26 HB2 SER 26 41.440 15.899 -8.874 165 HB3 SER 26 HB1 SER 26 43.149 16.322 -8.923 166 HG SER 26 HG SER 26 41.709 17.026 -10.730 167 H SER 27 HN SER 27 41.310 12.250 -8.864 168 HA SER 27 HA SER 27 40.510 11.733 -11.633 169 HB2 SER 27 HB2 SER 27 40.081 10.150 -9.090 170 HB3 SER 27 HB1 SER 27 39.556 9.639 -10.693 171 HG SER 27 HG SER 27 41.547 9.139 -11.171 172 H GLY 28 HN GLY 28 39.478 13.915 -9.669 173 HA2 GLY 28 HA2 GLY 28 36.778 13.897 -10.628 174 HA3 GLY 28 HA1 GLY 28 36.860 13.516 -8.910 175 H ALA 29 HN ALA 29 39.189 15.170 -8.401 176 HA ALA 29 HA ALA 29 39.813 17.370 -8.039 177 HB1 ALA 29 HB1 ALA 29 39.112 19.027 -9.460 178 HB2 ALA 29 HB2 ALA 29 37.432 18.491 -9.430 179 HB3 ALA 29 HB3 ALA 29 38.615 17.630 -10.414 180 H LEU 30 HN LEU 30 38.362 15.913 -6.190 181 HA LEU 30 HA LEU 30 37.153 18.055 -4.672 182 HB2 LEU 30 HB2 LEU 30 34.981 17.146 -4.411 183 HB3 LEU 30 HB1 LEU 30 35.298 17.107 -6.142 184 HG LEU 30 HG LEU 30 35.462 14.783 -4.200 185 HD11 LEU 30 HD11 LEU 30 33.213 15.360 -5.008 186 HD12 LEU 30 HD12 LEU 30 33.751 13.833 -5.706 187 HD13 LEU 30 HD13 LEU 30 33.790 15.306 -6.673 188 HD21 LEU 30 HD21 LEU 30 36.414 15.074 -7.056 189 HD22 LEU 30 HD22 LEU 30 35.991 13.504 -6.373 190 HD23 LEU 30 HD23 LEU 30 37.305 14.444 -5.670 191 H ILE 31 HN ILE 31 39.320 15.873 -4.680 192 HA ILE 31 HA ILE 31 38.691 14.129 -2.511 193 HB ILE 31 HB ILE 31 41.538 14.774 -3.004 194 HG12 ILE 31 HG12 ILE 31 39.634 13.822 -5.143 195 HG13 ILE 31 HG11 ILE 31 40.929 15.013 -5.272 196 HG21 ILE 31 HG21 ILE 31 40.133 12.120 -3.233 197 HG22 ILE 31 HG22 ILE 31 40.447 12.838 -1.653 198 HG23 ILE 31 HG23 ILE 31 41.790 12.453 -2.728 199 HD11 ILE 31 HD11 ILE 31 41.135 12.013 -5.155 200 HD12 ILE 31 HD12 ILE 31 42.501 13.022 -4.679 201 HD13 ILE 31 HD13 ILE 31 41.856 13.125 -6.318 202 HA PRO 32 HA PRO 32 41.342 17.445 -0.063 203 HB2 PRO 32 HB2 PRO 32 40.272 19.901 -1.335 204 HB3 PRO 32 HB1 PRO 32 41.932 19.516 -0.845 205 HG2 PRO 32 HG2 PRO 32 41.195 19.583 -3.413 206 HG3 PRO 32 HG1 PRO 32 42.406 18.438 -2.809 207 HD2 PRO 32 HD2 PRO 32 39.539 17.947 -3.528 208 HD3 PRO 32 HD1 PRO 32 40.953 16.892 -3.748 209 H ALA 33 HN ALA 33 38.124 17.269 -1.087 210 HA ALA 33 HA ALA 33 37.091 18.771 1.222 211 HB1 ALA 33 HB1 ALA 33 34.870 18.384 0.119 212 HB2 ALA 33 HB2 ALA 33 35.724 17.602 -1.211 213 HB3 ALA 33 HB3 ALA 33 36.005 19.308 -0.865 214 H ILE 34 HN ILE 34 36.459 15.645 -0.395 215 HA ILE 34 HA ILE 34 35.002 14.449 1.649 216 HB ILE 34 HB ILE 34 36.906 13.152 -0.315 217 HG12 ILE 34 HG12 ILE 34 33.892 13.419 -0.445 218 HG13 ILE 34 HG11 ILE 34 34.985 14.573 -1.209 219 HG21 ILE 34 HG21 ILE 34 34.947 11.329 0.212 220 HG22 ILE 34 HG22 ILE 34 35.114 12.098 1.790 221 HG23 ILE 34 HG23 ILE 34 36.513 11.347 1.023 222 HD11 ILE 34 HD11 ILE 34 35.167 11.601 -1.727 223 HD12 ILE 34 HD12 ILE 34 35.891 12.913 -2.658 224 HD13 ILE 34 HD13 ILE 34 34.145 12.664 -2.695 225 H TYR 35 HN TYR 35 38.439 14.965 1.349 226 HA TYR 35 HA TYR 35 39.132 13.144 3.490 227 HB2 TYR 35 HB2 TYR 35 40.666 13.656 1.579 228 HB3 TYR 35 HB1 TYR 35 40.829 15.294 2.209 229 HD1 TYR 35 HD2 TYR 35 41.850 15.682 4.452 230 HD2 TYR 35 HD1 TYR 35 41.768 11.794 2.628 231 HE1 TYR 35 HE2 TYR 35 43.589 14.901 6.039 232 HE2 TYR 35 HE1 TYR 35 43.506 11.013 4.215 233 HH TYR 35 HH TYR 35 44.447 11.552 6.320 234 H MET 36 HN MET 36 39.815 16.629 3.150 235 HA MET 36 HA MET 36 40.328 17.260 5.749 236 HB2 MET 36 HB2 MET 36 39.975 19.480 5.191 237 HB3 MET 36 HB1 MET 36 40.164 18.761 3.592 238 HG2 MET 36 HG2 MET 36 37.587 18.434 3.676 239 HG3 MET 36 HG1 MET 36 37.630 19.621 4.980 240 HE1 MET 36 HE1 MET 36 37.477 22.277 4.395 241 HE2 MET 36 HE2 MET 36 38.950 22.780 3.570 242 HE3 MET 36 HE3 MET 36 39.043 21.623 4.895 243 H LEU 37 HN LEU 37 37.253 16.403 4.381 244 HA LEU 37 HA LEU 37 35.595 17.456 6.444 245 HB2 LEU 37 HB2 LEU 37 35.274 15.539 4.193 246 HB3 LEU 37 HB1 LEU 37 34.103 15.435 5.508 247 HG LEU 37 HG LEU 37 34.792 18.117 4.338 248 HD11 LEU 37 HD11 LEU 37 33.253 15.912 3.059 249 HD12 LEU 37 HD12 LEU 37 34.144 17.240 2.315 250 HD13 LEU 37 HD13 LEU 37 32.538 17.522 2.989 251 HD21 LEU 37 HD21 LEU 37 32.878 18.802 5.418 252 HD22 LEU 37 HD22 LEU 37 33.251 17.413 6.437 253 HD23 LEU 37 HD23 LEU 37 32.053 17.267 5.150 254 H VAL 38 HN VAL 38 37.084 14.282 5.889 255 HA VAL 38 HA VAL 38 35.939 12.925 8.064 256 HB VAL 38 HB VAL 38 38.580 12.571 6.642 257 HG11 VAL 38 HG11 VAL 38 38.209 10.190 7.798 258 HG12 VAL 38 HG12 VAL 38 37.412 11.185 9.016 259 HG13 VAL 38 HG13 VAL 38 39.102 11.477 8.607 260 HG21 VAL 38 HG21 VAL 38 36.325 10.616 6.582 261 HG22 VAL 38 HG22 VAL 38 37.459 11.060 5.306 262 HG23 VAL 38 HG23 VAL 38 36.108 12.126 5.696 263 H PHE 39 HN PHE 39 38.624 15.166 7.878 264 HA PHE 39 HA PHE 39 39.759 14.605 10.422 265 HB2 PHE 39 HB2 PHE 39 41.164 15.808 8.987 266 HB3 PHE 39 HB1 PHE 39 39.888 16.933 8.525 267 HD1 PHE 39 HD1 PHE 39 41.291 15.731 11.797 268 HD2 PHE 39 HD2 PHE 39 40.295 19.091 9.312 269 HE1 PHE 39 HE1 PHE 39 42.007 17.277 13.598 270 HE2 PHE 39 HE2 PHE 39 41.011 20.636 11.114 271 HZ PHE 39 HZ PHE 39 41.868 19.729 13.257 272 H LEU 40 HN LEU 40 36.944 16.316 9.414 273 HA LEU 40 HA LEU 40 36.651 17.539 12.089 274 HB2 LEU 40 HB2 LEU 40 35.110 18.165 9.562 275 HB3 LEU 40 HB1 LEU 40 35.059 19.058 11.082 276 HG LEU 40 HG LEU 40 37.511 18.719 9.327 277 HD11 LEU 40 HD11 LEU 40 36.265 20.288 8.162 278 HD12 LEU 40 HD12 LEU 40 37.094 21.342 9.308 279 HD13 LEU 40 HD13 LEU 40 35.427 20.850 9.608 280 HD21 LEU 40 HD21 LEU 40 38.217 20.674 10.956 281 HD22 LEU 40 HD22 LEU 40 38.382 18.996 11.474 282 HD23 LEU 40 HD23 LEU 40 37.006 19.956 12.018 283 H LEU 41 HN LEU 41 35.311 15.254 9.836 284 HA LEU 41 HA LEU 41 32.956 14.847 11.556 285 HB2 LEU 41 HB2 LEU 41 33.530 14.494 8.694 286 HB3 LEU 41 HB1 LEU 41 32.656 13.145 9.416 287 HG LEU 41 HG LEU 41 31.165 14.957 8.500 288 HD11 LEU 41 HD11 LEU 41 29.701 14.163 10.008 289 HD12 LEU 41 HD12 LEU 41 30.373 15.237 11.234 290 HD13 LEU 41 HD13 LEU 41 31.038 13.618 11.021 291 HD21 LEU 41 HD21 LEU 41 32.971 16.663 9.655 292 HD22 LEU 41 HD22 LEU 41 31.669 16.677 10.846 293 HD23 LEU 41 HD23 LEU 41 31.339 17.124 9.172 294 H GLY 42 HN GLY 42 36.045 13.721 11.223 295 HA2 GLY 42 HA2 GLY 42 35.708 10.904 11.403 296 HA3 GLY 42 HA1 GLY 42 37.150 11.804 11.869 297 H THR 43 HN THR 43 36.407 13.358 13.906 298 HA THR 43 HA THR 43 35.027 11.649 15.868 299 HB THR 43 HB THR 43 37.432 11.204 16.117 300 HG1 THR 43 HG1 THR 43 36.771 12.935 18.221 301 HG21 THR 43 HG21 THR 43 37.813 14.095 16.862 302 HG22 THR 43 HG22 THR 43 37.994 13.568 15.189 303 HG23 THR 43 HG23 THR 43 39.032 12.891 16.443 304 H THR 44 HN THR 44 36.295 14.811 14.965 305 HA THR 44 HA THR 44 35.297 16.313 17.120 306 HB THR 44 HB THR 44 35.903 16.999 14.248 307 HG1 THR 44 HG1 THR 44 37.454 18.318 15.572 308 HG21 THR 44 HG21 THR 44 34.697 18.702 16.420 309 HG22 THR 44 HG22 THR 44 34.224 18.579 14.726 310 HG23 THR 44 HG23 THR 44 35.711 19.417 15.167 311 H GLY 45 HN GLY 45 33.753 15.073 14.228 312 HA2 GLY 45 HA2 GLY 45 31.341 16.631 14.557 313 HA3 GLY 45 HA1 GLY 45 31.593 15.319 13.409 314 H ASN 46 HN ASN 46 32.326 14.814 16.761 315 HA ASN 46 HA ASN 46 29.738 13.693 17.421 316 HB2 ASN 46 HB2 ASN 46 30.163 11.593 16.769 317 HB3 ASN 46 HB1 ASN 46 31.804 12.027 16.293 318 HD21 ASN 46 HD21 ASN 46 33.517 11.815 17.940 319 HD22 ASN 46 HD22 ASN 46 33.276 10.846 19.313 320 H GLY 47 HN GLY 47 29.434 14.260 19.468 321 HA2 GLY 47 HA2 GLY 47 29.929 14.078 21.793 322 HA3 GLY 47 HA1 GLY 47 31.639 13.955 21.392 323 H LEU 48 HN LEU 48 29.419 16.340 20.058 324 HA LEU 48 HA LEU 48 30.654 18.439 21.716 325 HB2 LEU 48 HB2 LEU 48 31.011 18.038 18.851 326 HB3 LEU 48 HB1 LEU 48 30.344 19.628 19.221 327 HG LEU 48 HG LEU 48 32.746 18.484 20.666 328 HD11 LEU 48 HD11 LEU 48 32.711 20.397 18.312 329 HD12 LEU 48 HD12 LEU 48 33.191 18.702 18.222 330 HD13 LEU 48 HD13 LEU 48 34.139 19.838 19.183 331 HD21 LEU 48 HD21 LEU 48 31.086 20.677 21.177 332 HD22 LEU 48 HD22 LEU 48 32.492 21.378 20.377 333 HD23 LEU 48 HD23 LEU 48 32.699 20.417 21.841 334 H VAL 49 HN VAL 49 28.052 17.395 19.590 335 HA VAL 49 HA VAL 49 26.431 19.736 20.126 336 HB VAL 49 HB VAL 49 26.255 18.620 17.959 337 HG11 VAL 49 HG11 VAL 49 26.803 16.335 18.785 338 HG12 VAL 49 HG12 VAL 49 25.349 16.354 17.787 339 HG13 VAL 49 HG13 VAL 49 25.211 16.252 19.543 340 HG21 VAL 49 HG21 VAL 49 24.201 19.574 19.403 341 HG22 VAL 49 HG22 VAL 49 23.658 17.904 19.244 342 HG23 VAL 49 HG23 VAL 49 23.967 18.872 17.803 343 H LEU 50 HN LEU 50 27.252 17.096 21.918 344 HA LEU 50 HA LEU 50 24.778 17.296 23.512 345 HB2 LEU 50 HB2 LEU 50 24.832 14.885 23.926 346 HB3 LEU 50 HB1 LEU 50 24.696 15.205 22.197 347 HG LEU 50 HG LEU 50 27.433 15.174 22.601 348 HD11 LEU 50 HD11 LEU 50 26.978 14.308 24.919 349 HD12 LEU 50 HD12 LEU 50 27.933 13.207 23.925 350 HD13 LEU 50 HD13 LEU 50 26.217 12.895 24.188 351 HD21 LEU 50 HD21 LEU 50 26.215 14.140 20.733 352 HD22 LEU 50 HD22 LEU 50 25.585 12.898 21.813 353 HD23 LEU 50 HD23 LEU 50 27.312 12.968 21.462 354 H TRP 51 HN TRP 51 28.022 17.746 23.397 355 HA TRP 51 HA TRP 51 28.498 16.932 26.187 356 HB2 TRP 51 HB2 TRP 51 30.293 16.151 24.929 357 HB3 TRP 51 HB1 TRP 51 30.284 17.553 23.858 358 HD1 TRP 51 HD1 TRP 51 30.370 17.535 27.716 359 HE1 TRP 51 HE1 TRP 51 32.465 18.826 28.481 360 HE3 TRP 51 HE3 TRP 51 32.516 18.500 23.184 361 HZ2 TRP 51 HZ2 TRP 51 34.750 20.101 27.324 362 HZ3 TRP 51 HZ3 TRP 51 34.649 19.753 23.045 363 HH2 TRP 51 HH2 TRP 51 35.768 20.554 25.107 364 H THR 52 HN THR 52 30.000 19.586 24.411 365 HA THR 52 HA THR 52 29.973 21.361 26.590 366 HB THR 52 HB THR 52 31.319 21.409 24.338 367 HG1 THR 52 HG1 THR 52 30.361 23.879 25.298 368 HG21 THR 52 HG21 THR 52 30.421 22.701 22.594 369 HG22 THR 52 HG22 THR 52 29.171 23.395 23.627 370 HG23 THR 52 HG23 THR 52 29.049 21.716 23.103 371 H VAL 53 HN VAL 53 27.458 20.376 24.543 372 HA VAL 53 HA VAL 53 25.904 22.772 24.507 373 HB VAL 53 HB VAL 53 25.341 19.871 23.968 374 HG11 VAL 53 HG11 VAL 53 23.372 22.111 24.395 375 HG12 VAL 53 HG12 VAL 53 23.289 20.444 24.965 376 HG13 VAL 53 HG13 VAL 53 23.012 20.808 23.263 377 HG21 VAL 53 HG21 VAL 53 25.097 22.416 22.330 378 HG22 VAL 53 HG22 VAL 53 24.816 20.781 21.734 379 HG23 VAL 53 HG23 VAL 53 26.433 21.268 22.241 380 H PHE 54 HN PHE 54 25.794 19.822 26.502 381 HA PHE 54 HA PHE 54 23.622 20.400 28.105 382 HB2 PHE 54 HB2 PHE 54 25.547 18.450 28.079 383 HB3 PHE 54 HB1 PHE 54 25.915 19.298 29.581 384 HD1 PHE 54 HD1 PHE 54 24.280 19.413 31.404 385 HD2 PHE 54 HD2 PHE 54 23.416 17.305 27.763 386 HE1 PHE 54 HE1 PHE 54 22.347 18.312 32.500 387 HE2 PHE 54 HE2 PHE 54 21.483 16.204 28.859 388 HZ PHE 54 HZ PHE 54 20.948 16.707 31.228 389 H ARG 55 HN ARG 55 26.946 21.575 28.389 390 HA ARG 55 HA ARG 55 26.410 23.022 30.835 391 HB2 ARG 55 HB2 ARG 55 28.770 23.119 28.940 392 HB3 ARG 55 HB1 ARG 55 28.701 23.900 30.521 393 HG2 ARG 55 HG2 ARG 55 29.299 21.980 31.523 394 HG3 ARG 55 HG1 ARG 55 27.906 21.159 30.817 395 HD2 ARG 55 HD2 ARG 55 29.162 20.703 28.776 396 HD3 ARG 55 HD1 ARG 55 30.538 21.616 29.386 397 HE ARG 55 HE ARG 55 29.810 18.915 30.106 398 HH11 ARG 55 HH21 ARG 55 31.393 21.837 31.073 399 HH12 ARG 55 HH22 ARG 55 32.462 21.051 32.188 400 HH21 ARG 55 HH11 ARG 55 31.209 17.879 31.564 401 HH22 ARG 55 HH12 ARG 55 32.358 18.811 32.465 402 H LYS 56 HN LYS 56 26.543 23.716 27.393 403 HA LYS 56 HA LYS 56 26.603 26.524 27.508 404 HB2 LYS 56 HB2 LYS 56 26.894 25.036 25.460 405 HB3 LYS 56 HB1 LYS 56 25.134 24.919 25.416 406 HG2 LYS 56 HG2 LYS 56 25.200 26.824 24.197 407 HG3 LYS 56 HG1 LYS 56 25.554 27.634 25.723 408 HD2 LYS 56 HD2 LYS 56 28.015 27.092 25.271 409 HD3 LYS 56 HD1 LYS 56 27.514 26.673 23.633 410 HE2 LYS 56 HE2 LYS 56 27.479 29.349 24.997 411 HE3 LYS 56 HE1 LYS 56 28.062 28.928 23.386 412 HZ1 LYS 56 HZ1 LYS 56 25.930 28.842 22.542 413 HZ2 LYS 56 HZ2 LYS 56 25.831 30.152 23.619 414 HZ3 LYS 56 HZ3 LYS 56 25.209 28.634 24.063 415 H LYS 57 HN LYS 57 23.816 24.316 27.203 416 HA LYS 57 HA LYS 57 21.786 26.223 27.236 417 HB2 LYS 57 HB2 LYS 57 21.102 24.038 26.732 418 HB3 LYS 57 HB1 LYS 57 21.918 23.357 28.140 419 HG2 LYS 57 HG2 LYS 57 20.273 24.124 29.626 420 HG3 LYS 57 HG1 LYS 57 19.692 25.350 28.499 421 HD2 LYS 57 HD2 LYS 57 18.718 23.654 27.064 422 HD3 LYS 57 HD1 LYS 57 19.428 22.366 28.038 423 HE2 LYS 57 HE2 LYS 57 17.896 22.613 29.734 424 HE3 LYS 57 HE1 LYS 57 17.717 24.347 29.462 425 HZ1 LYS 57 HZ1 LYS 57 15.777 22.883 28.815 426 HZ2 LYS 57 HZ2 LYS 57 16.734 22.344 27.519 427 HZ3 LYS 57 HZ3 LYS 57 16.314 23.986 27.645 428 H GLY 58 HN GLY 58 23.760 24.992 29.833 429 HA2 GLY 58 HA2 GLY 58 23.962 25.620 32.037 430 HA3 GLY 58 HA1 GLY 58 23.112 27.098 31.595 431 H HIS 59 HN HIS 59 20.708 26.898 31.370 432 HA HIS 59 HA HIS 59 19.469 24.728 32.871 433 HB2 HIS 59 HB2 HIS 59 18.511 26.090 34.573 434 HB3 HIS 59 HB1 HIS 59 20.228 26.494 34.541 435 HD2 HIS 59 HD2 HIS 59 19.865 28.533 31.806 436 HE1 HIS 59 HE1 HIS 59 17.521 30.777 34.508 437 HE2 HIS 59 HE2 HIS 59 18.771 30.853 32.299 438 H HIS 60 HN HIS 60 17.002 25.933 33.305 439 HA HIS 60 HA HIS 60 15.585 25.523 31.022 440 HB2 HIS 60 HB2 HIS 60 14.798 26.179 33.430 441 HB3 HIS 60 HB1 HIS 60 14.778 27.817 32.777 442 HD2 HIS 60 HD2 HIS 60 12.392 24.915 32.987 443 HE1 HIS 60 HE1 HIS 60 11.217 27.021 29.522 444 HE2 HIS 60 HE2 HIS 60 10.533 25.223 31.180 445 H HIS 61 HN HIS 61 15.739 26.352 29.047 446 HA HIS 61 HA HIS 61 17.244 28.433 28.158 447 HB2 HIS 61 HB2 HIS 61 16.058 26.899 26.654 448 HB3 HIS 61 HB1 HIS 61 14.521 27.647 27.091 449 HD2 HIS 61 HD2 HIS 61 17.732 29.812 26.292 450 HE1 HIS 61 HE1 HIS 61 14.840 30.541 23.304 451 HE2 HIS 61 HE2 HIS 61 17.111 31.241 24.197 452 H HIS 62 HN HIS 62 13.801 28.681 29.065 453 HA HIS 62 HA HIS 62 12.533 30.472 29.744 454 HB2 HIS 62 HB2 HIS 62 14.794 30.579 31.240 455 HB3 HIS 62 HB1 HIS 62 14.864 32.151 30.443 456 HD2 HIS 62 HD2 HIS 62 13.768 31.397 33.715 457 HE1 HIS 62 HE1 HIS 62 10.342 33.371 32.237 458 HE2 HIS 62 HE2 HIS 62 11.529 32.586 34.340 459 H HIS 63 HN HIS 63 13.134 33.236 29.688 460 HA HIS 63 HA HIS 63 14.127 34.048 27.137 461 HB2 HIS 63 HB2 HIS 63 11.925 34.814 26.222 462 HB3 HIS 63 HB1 HIS 63 12.094 33.060 26.280 463 HD2 HIS 63 HD2 HIS 63 10.029 31.822 27.638 464 HE1 HIS 63 HE1 HIS 63 8.602 35.190 29.748 465 HE2 HIS 63 HE2 HIS 63 8.197 32.730 29.262 466 H HIS 64 HN HIS 64 14.605 34.862 29.763 467 HA HIS 64 HA HIS 64 13.112 37.095 30.612 468 HB2 HIS 64 HB2 HIS 64 14.641 36.056 32.144 469 HB3 HIS 64 HB1 HIS 64 16.004 36.336 31.060 470 HD2 HIS 64 HD2 HIS 64 17.206 38.839 31.343 471 HE1 HIS 64 HE1 HIS 64 14.344 40.525 33.949 472 HE2 HIS 64 HE2 HIS 64 16.600 40.889 32.841 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 29.849 -22.529 6.158 2 H2 MET 1 HT2 MET 1 31.022 -21.454 5.561 3 H3 MET 1 HT3 MET 1 30.620 -21.446 7.212 4 HA MET 1 HA MET 1 31.363 -24.042 6.666 5 HB2 MET 1 HB2 MET 1 33.444 -22.109 5.620 6 HB3 MET 1 HB1 MET 1 33.484 -23.872 5.573 7 HG2 MET 1 HG2 MET 1 31.284 -23.647 4.191 8 HG3 MET 1 HG1 MET 1 31.807 -21.982 3.938 9 HE1 MET 1 HE1 MET 1 32.193 -25.674 2.975 10 HE2 MET 1 HE2 MET 1 32.716 -25.293 1.336 11 HE3 MET 1 HE3 MET 1 31.277 -24.520 1.996 12 H GLU 2 HN GLU 2 31.715 -24.438 8.760 13 HA GLU 2 HA GLU 2 32.380 -24.158 10.951 14 HB2 GLU 2 HB2 GLU 2 34.783 -23.289 9.352 15 HB3 GLU 2 HB1 GLU 2 34.819 -23.382 11.113 16 HG2 GLU 2 HG2 GLU 2 34.470 -25.706 11.125 17 HG3 GLU 2 HG1 GLU 2 33.832 -25.711 9.482 18 H GLU 3 HN GLU 3 30.688 -22.140 10.262 19 HA GLU 3 HA GLU 3 31.484 -19.512 10.402 20 HB2 GLU 3 HB2 GLU 3 29.055 -21.002 11.217 21 HB3 GLU 3 HB1 GLU 3 29.253 -19.397 11.922 22 HG2 GLU 3 HG2 GLU 3 29.568 -19.909 8.959 23 HG3 GLU 3 HG1 GLU 3 28.015 -19.496 9.685 24 H GLY 4 HN GLY 4 31.867 -18.025 12.058 25 HA2 GLY 4 HA2 GLY 4 32.070 -18.969 14.812 26 HA3 GLY 4 HA1 GLY 4 33.582 -18.490 14.045 27 H GLY 5 HN GLY 5 32.706 -16.338 12.506 28 HA2 GLY 5 HA2 GLY 5 31.082 -14.425 13.649 29 HA3 GLY 5 HA1 GLY 5 32.630 -14.260 14.473 30 H ASP 6 HN ASP 6 31.367 -12.322 12.741 31 HA ASP 6 HA ASP 6 32.388 -12.272 10.134 32 HB2 ASP 6 HB2 ASP 6 31.407 -10.225 12.063 33 HB3 ASP 6 HB1 ASP 6 32.309 -9.659 10.659 34 H PHE 7 HN PHE 7 34.539 -13.170 10.418 35 HA PHE 7 HA PHE 7 36.528 -11.074 10.669 36 HB2 PHE 7 HB2 PHE 7 36.576 -13.468 12.522 37 HB3 PHE 7 HB1 PHE 7 37.879 -12.293 12.339 38 HD1 PHE 7 HD2 PHE 7 37.429 -9.858 12.885 39 HD2 PHE 7 HD1 PHE 7 34.691 -13.010 13.895 40 HE1 PHE 7 HE2 PHE 7 36.315 -8.365 14.521 41 HE2 PHE 7 HE1 PHE 7 33.576 -11.515 15.531 42 HZ PHE 7 HZ PHE 7 34.388 -9.194 15.844 43 H ASP 8 HN ASP 8 38.055 -13.903 11.331 44 HA ASP 8 HA ASP 8 39.523 -15.139 10.040 45 HB2 ASP 8 HB2 ASP 8 37.157 -16.205 9.832 46 HB3 ASP 8 HB1 ASP 8 37.202 -15.577 8.185 47 H ASN 9 HN ASN 9 39.014 -12.235 9.246 48 HA ASN 9 HA ASN 9 40.348 -12.431 6.631 49 HB2 ASN 9 HB2 ASN 9 37.908 -12.002 6.266 50 HB3 ASN 9 HB1 ASN 9 38.079 -10.509 7.188 51 HD21 ASN 9 HD21 ASN 9 40.505 -11.834 4.918 52 HD22 ASN 9 HD22 ASN 9 40.407 -10.546 3.818 53 H TYR 10 HN TYR 10 41.206 -11.836 9.404 54 HA TYR 10 HA TYR 10 42.660 -10.402 10.455 55 HB2 TYR 10 HB2 TYR 10 42.895 -8.864 7.877 56 HB3 TYR 10 HB1 TYR 10 44.116 -9.118 9.125 57 HD1 TYR 10 HD2 TYR 10 44.949 -11.518 9.526 58 HD2 TYR 10 HD1 TYR 10 42.731 -10.338 6.041 59 HE1 TYR 10 HE2 TYR 10 45.757 -13.533 8.329 60 HE2 TYR 10 HE1 TYR 10 43.539 -12.353 4.844 61 HH TYR 10 HH TYR 10 44.388 -14.648 5.477 62 H TYR 11 HN TYR 11 41.152 -8.214 8.077 63 HA TYR 11 HA TYR 11 39.773 -6.390 8.356 64 HB2 TYR 11 HB2 TYR 11 38.870 -8.135 10.258 65 HB3 TYR 11 HB1 TYR 11 39.324 -6.744 11.243 66 HD1 TYR 11 HD2 TYR 11 38.803 -4.463 9.513 67 HD2 TYR 11 HD1 TYR 11 36.537 -8.080 10.011 68 HE1 TYR 11 HE2 TYR 11 36.748 -3.277 8.789 69 HE2 TYR 11 HE1 TYR 11 34.484 -6.893 9.286 70 HH TYR 11 HH TYR 11 33.935 -3.955 9.363 71 H GLY 12 HN GLY 12 41.387 -6.784 11.519 72 HA2 GLY 12 HA2 GLY 12 42.040 -3.989 11.668 73 HA3 GLY 12 HA1 GLY 12 42.553 -5.244 12.793 74 H ALA 13 HN ALA 13 43.082 -5.286 9.308 75 HA ALA 13 HA ALA 13 45.967 -5.477 9.786 76 HB1 ALA 13 HB1 ALA 13 45.244 -7.180 8.335 77 HB2 ALA 13 HB2 ALA 13 45.929 -5.969 7.250 78 HB3 ALA 13 HB3 ALA 13 44.180 -6.091 7.443 79 H ASP 14 HN ASP 14 44.884 -4.316 6.735 80 HA ASP 14 HA ASP 14 46.599 -2.119 6.661 81 HB2 ASP 14 HB2 ASP 14 44.015 -2.561 5.147 82 HB3 ASP 14 HB1 ASP 14 45.234 -1.356 4.736 83 H ASN 15 HN ASN 15 43.589 -2.489 8.256 84 HA ASN 15 HA ASN 15 42.542 0.091 8.259 85 HB2 ASN 15 HB2 ASN 15 42.429 -2.231 10.118 86 HB3 ASN 15 HB1 ASN 15 41.899 -0.668 10.738 87 HD21 ASN 15 HD21 ASN 15 41.474 -2.606 7.711 88 HD22 ASN 15 HD22 ASN 15 39.819 -2.259 7.560 89 H GLN 16 HN GLN 16 45.080 -1.325 10.286 90 HA GLN 16 HA GLN 16 45.530 1.295 11.548 91 HB2 GLN 16 HB2 GLN 16 47.108 -1.113 12.317 92 HB3 GLN 16 HB1 GLN 16 46.471 0.186 13.325 93 HG2 GLN 16 HG2 GLN 16 44.140 -0.753 12.727 94 HG3 GLN 16 HG1 GLN 16 45.005 -2.191 12.188 95 HE21 GLN 16 HE21 GLN 16 43.177 -2.040 14.507 96 HE22 GLN 16 HE22 GLN 16 44.106 -2.435 15.872 97 H SER 17 HN SER 17 46.222 1.110 8.842 98 HA SER 17 HA SER 17 49.141 1.439 9.033 99 HB2 SER 17 HB2 SER 17 48.206 -0.815 7.937 100 HB3 SER 17 HB1 SER 17 48.071 0.236 6.531 101 HG SER 17 HG SER 17 50.187 -0.955 7.187 102 H GLU 18 HN GLU 18 49.921 2.418 6.824 103 HA GLU 18 HA GLU 18 49.028 4.991 6.574 104 HB2 GLU 18 HB2 GLU 18 49.946 3.476 4.142 105 HB3 GLU 18 HB1 GLU 18 50.281 5.148 4.594 106 HG2 GLU 18 HG2 GLU 18 52.263 4.293 5.322 107 HG3 GLU 18 HG1 GLU 18 51.320 3.836 6.740 108 H CYS 19 HN CYS 19 46.769 5.126 6.656 109 HA CYS 19 HA CYS 19 45.184 3.879 4.555 110 HB2 CYS 19 HB2 CYS 19 44.357 4.054 6.908 111 HB3 CYS 19 HB1 CYS 19 44.310 5.807 6.718 112 HG CYS 19 HG CYS 19 42.713 4.197 4.617 113 H GLU 20 HN GLU 20 46.075 7.156 5.611 114 HA GLU 20 HA GLU 20 45.566 8.099 2.869 115 HB2 GLU 20 HB2 GLU 20 44.675 9.651 5.303 116 HB3 GLU 20 HB1 GLU 20 44.335 10.008 3.610 117 HG2 GLU 20 HG2 GLU 20 43.253 7.616 3.609 118 HG3 GLU 20 HG1 GLU 20 43.183 7.852 5.355 119 H TYR 21 HN TYR 21 48.058 7.531 3.647 120 HA TYR 21 HA TYR 21 49.258 10.198 3.989 121 HB2 TYR 21 HB2 TYR 21 50.038 7.701 5.509 122 HB3 TYR 21 HB1 TYR 21 51.007 9.174 5.456 123 HD1 TYR 21 HD2 TYR 21 47.594 7.906 6.311 124 HD2 TYR 21 HD1 TYR 21 50.552 10.960 6.924 125 HE1 TYR 21 HE2 TYR 21 46.210 8.884 8.123 126 HE2 TYR 21 HE1 TYR 21 49.168 11.937 8.735 127 HH TYR 21 HH TYR 21 46.068 11.440 9.150 128 H THR 22 HN THR 22 48.853 7.726 1.998 129 HA THR 22 HA THR 22 51.126 8.322 0.398 130 HB THR 22 HB THR 22 52.226 6.910 2.135 131 HG1 THR 22 HG1 THR 22 53.272 5.662 0.632 132 HG21 THR 22 HG21 THR 22 50.781 4.532 1.033 133 HG22 THR 22 HG22 THR 22 49.987 5.496 2.279 134 HG23 THR 22 HG23 THR 22 51.549 4.746 2.606 135 H ASP 23 HN ASP 23 48.500 6.122 1.195 136 HA ASP 23 HA ASP 23 48.300 5.171 -1.557 137 HB2 ASP 23 HB2 ASP 23 46.348 3.878 -0.641 138 HB3 ASP 23 HB1 ASP 23 47.885 3.528 0.147 139 H TRP 24 HN TRP 24 48.005 7.717 -1.891 140 HA TRP 24 HA TRP 24 45.333 8.057 -2.813 141 HB2 TRP 24 HB2 TRP 24 44.723 9.986 -1.383 142 HB3 TRP 24 HB1 TRP 24 44.863 8.491 -0.456 143 HD1 TRP 24 HD1 TRP 24 47.347 8.121 0.759 144 HE1 TRP 24 HE1 TRP 24 48.820 9.882 1.935 145 HE3 TRP 24 HE3 TRP 24 45.396 12.391 -1.254 146 HZ2 TRP 24 HZ2 TRP 24 49.129 12.724 2.011 147 HZ3 TRP 24 HZ3 TRP 24 46.298 14.608 -0.613 148 HH2 TRP 24 HH2 TRP 24 48.160 14.779 1.016 149 H LYS 25 HN LYS 25 47.967 10.120 -1.551 150 HA LYS 25 HA LYS 25 49.042 11.925 -2.501 151 HB2 LYS 25 HB2 LYS 25 49.247 9.635 -4.262 152 HB3 LYS 25 HB1 LYS 25 49.303 11.141 -5.179 153 HG2 LYS 25 HG2 LYS 25 51.563 10.478 -4.448 154 HG3 LYS 25 HG1 LYS 25 51.073 11.990 -3.680 155 HD2 LYS 25 HD2 LYS 25 51.189 11.075 -1.622 156 HD3 LYS 25 HD1 LYS 25 50.229 9.682 -2.121 157 HE2 LYS 25 HE2 LYS 25 53.193 10.035 -2.654 158 HE3 LYS 25 HE1 LYS 25 52.504 9.011 -1.395 159 HZ1 LYS 25 HZ1 LYS 25 51.188 8.295 -3.687 160 HZ2 LYS 25 HZ2 LYS 25 52.429 7.421 -2.921 161 HZ3 LYS 25 HZ3 LYS 25 52.797 8.497 -4.183 162 H SER 26 HN SER 26 45.968 11.557 -2.887 163 HA SER 26 HA SER 26 44.341 13.038 -3.608 164 HB2 SER 26 HB2 SER 26 46.199 14.541 -5.377 165 HB3 SER 26 HB1 SER 26 44.923 15.136 -4.319 166 HG SER 26 HG SER 26 46.780 13.930 -2.839 167 H SER 27 HN SER 27 43.082 11.809 -4.880 168 HA SER 27 HA SER 27 43.963 10.649 -7.340 169 HB2 SER 27 HB2 SER 27 41.744 9.796 -7.534 170 HB3 SER 27 HB1 SER 27 42.138 9.755 -5.818 171 HG SER 27 HG SER 27 41.127 11.956 -5.837 172 H GLY 28 HN GLY 28 43.362 13.780 -6.621 173 HA2 GLY 28 HA2 GLY 28 43.629 15.060 -8.889 174 HA3 GLY 28 HA1 GLY 28 42.001 14.436 -9.141 175 H ALA 29 HN ALA 29 43.698 15.854 -6.336 176 HA ALA 29 HA ALA 29 43.008 17.446 -4.819 177 HB1 ALA 29 HB1 ALA 29 42.098 19.533 -5.913 178 HB2 ALA 29 HB2 ALA 29 42.132 18.660 -7.445 179 HB3 ALA 29 HB3 ALA 29 43.632 18.962 -6.568 180 H LEU 30 HN LEU 30 41.098 15.254 -5.555 181 HA LEU 30 HA LEU 30 38.547 16.604 -4.906 182 HB2 LEU 30 HB2 LEU 30 38.512 15.303 -6.992 183 HB3 LEU 30 HB1 LEU 30 39.031 13.867 -6.107 184 HG LEU 30 HG LEU 30 36.714 15.145 -4.870 185 HD11 LEU 30 HD11 LEU 30 35.123 14.410 -6.661 186 HD12 LEU 30 HD12 LEU 30 36.505 14.141 -7.724 187 HD13 LEU 30 HD13 LEU 30 36.138 15.768 -7.151 188 HD21 LEU 30 HD21 LEU 30 37.547 12.870 -4.364 189 HD22 LEU 30 HD22 LEU 30 37.213 12.382 -6.025 190 HD23 LEU 30 HD23 LEU 30 35.884 12.822 -4.951 191 H ILE 31 HN ILE 31 40.902 14.277 -3.851 192 HA ILE 31 HA ILE 31 39.308 12.943 -1.921 193 HB ILE 31 HB ILE 31 42.113 12.990 -2.725 194 HG12 ILE 31 HG12 ILE 31 41.901 10.608 -2.182 195 HG13 ILE 31 HG11 ILE 31 40.363 10.917 -1.377 196 HG21 ILE 31 HG21 ILE 31 42.945 12.069 -0.546 197 HG22 ILE 31 HG22 ILE 31 41.449 12.597 0.214 198 HG23 ILE 31 HG23 ILE 31 42.566 13.786 -0.468 199 HD11 ILE 31 HD11 ILE 31 39.235 10.993 -3.337 200 HD12 ILE 31 HD12 ILE 31 40.670 10.260 -4.051 201 HD13 ILE 31 HD13 ILE 31 40.462 12.010 -4.093 202 HA PRO 32 HA PRO 32 41.343 16.253 1.085 203 HB2 PRO 32 HB2 PRO 32 41.117 18.611 -0.707 204 HB3 PRO 32 HB1 PRO 32 42.410 18.173 0.425 205 HG2 PRO 32 HG2 PRO 32 42.719 17.956 -2.217 206 HG3 PRO 32 HG1 PRO 32 43.453 16.804 -1.088 207 HD2 PRO 32 HD2 PRO 32 41.049 16.459 -2.837 208 HD3 PRO 32 HD1 PRO 32 42.285 15.270 -2.368 209 H ALA 33 HN ALA 33 38.860 16.893 -1.319 210 HA ALA 33 HA ALA 33 37.256 18.630 0.267 211 HB1 ALA 33 HB1 ALA 33 36.178 18.820 -1.685 212 HB2 ALA 33 HB2 ALA 33 35.643 17.144 -1.567 213 HB3 ALA 33 HB3 ALA 33 37.173 17.527 -2.354 214 H ILE 34 HN ILE 34 36.550 15.272 -0.728 215 HA ILE 34 HA ILE 34 34.494 14.795 1.079 216 HB ILE 34 HB ILE 34 36.514 12.908 -0.142 217 HG12 ILE 34 HG12 ILE 34 33.570 13.235 -0.750 218 HG13 ILE 34 HG11 ILE 34 34.798 14.215 -1.551 219 HG21 ILE 34 HG21 ILE 34 34.128 12.396 1.634 220 HG22 ILE 34 HG22 ILE 34 35.755 11.728 1.763 221 HG23 ILE 34 HG23 ILE 34 34.680 11.189 0.473 222 HD11 ILE 34 HD11 ILE 34 34.961 11.200 -1.476 223 HD12 ILE 34 HD12 ILE 34 35.828 12.311 -2.535 224 HD13 ILE 34 HD13 ILE 34 34.097 12.057 -2.751 225 H TYR 35 HN TYR 35 37.968 14.682 1.545 226 HA TYR 35 HA TYR 35 37.873 13.366 4.094 227 HB2 TYR 35 HB2 TYR 35 39.942 13.137 3.044 228 HB3 TYR 35 HB1 TYR 35 39.976 14.823 2.526 229 HD1 TYR 35 HD1 TYR 35 40.080 12.654 5.569 230 HD2 TYR 35 HD2 TYR 35 41.053 16.462 3.835 231 HE1 TYR 35 HE1 TYR 35 41.356 13.257 7.608 232 HE2 TYR 35 HE2 TYR 35 42.329 17.064 5.875 233 HH TYR 35 HH TYR 35 42.414 16.440 8.239 234 H MET 36 HN MET 36 37.413 16.599 2.993 235 HA MET 36 HA MET 36 37.994 17.844 5.544 236 HB2 MET 36 HB2 MET 36 38.363 19.081 3.456 237 HB3 MET 36 HB1 MET 36 36.647 18.946 3.066 238 HG2 MET 36 HG2 MET 36 36.008 20.409 4.773 239 HG3 MET 36 HG1 MET 36 37.485 20.133 5.696 240 HE1 MET 36 HE1 MET 36 36.865 22.762 2.002 241 HE2 MET 36 HE2 MET 36 35.682 21.791 2.875 242 HE3 MET 36 HE3 MET 36 36.871 21.000 1.844 243 H LEU 37 HN LEU 37 35.134 16.891 3.693 244 HA LEU 37 HA LEU 37 33.251 17.998 5.545 245 HB2 LEU 37 HB2 LEU 37 32.758 15.772 3.561 246 HB3 LEU 37 HB1 LEU 37 31.578 16.896 4.235 247 HG LEU 37 HG LEU 37 33.899 17.631 2.427 248 HD11 LEU 37 HD11 LEU 37 32.302 17.956 0.718 249 HD12 LEU 37 HD12 LEU 37 30.954 17.951 1.856 250 HD13 LEU 37 HD13 LEU 37 31.796 16.447 1.480 251 HD21 LEU 37 HD21 LEU 37 32.486 19.851 2.454 252 HD22 LEU 37 HD22 LEU 37 33.612 19.524 3.771 253 HD23 LEU 37 HD23 LEU 37 31.888 19.228 3.992 254 H VAL 38 HN VAL 38 35.426 15.866 6.284 255 HA VAL 38 HA VAL 38 33.625 14.330 8.036 256 HB VAL 38 HB VAL 38 35.752 13.233 6.207 257 HG11 VAL 38 HG11 VAL 38 34.736 12.155 8.834 258 HG12 VAL 38 HG12 VAL 38 36.397 12.248 8.251 259 HG13 VAL 38 HG13 VAL 38 35.285 11.065 7.561 260 HG21 VAL 38 HG21 VAL 38 32.899 12.428 6.866 261 HG22 VAL 38 HG22 VAL 38 33.946 11.609 5.706 262 HG23 VAL 38 HG23 VAL 38 33.422 13.266 5.405 263 H PHE 39 HN PHE 39 36.576 16.003 7.480 264 HA PHE 39 HA PHE 39 38.006 15.051 9.771 265 HB2 PHE 39 HB2 PHE 39 39.440 16.006 8.225 266 HB3 PHE 39 HB1 PHE 39 38.322 17.314 7.838 267 HD1 PHE 39 HD1 PHE 39 39.666 16.046 11.102 268 HD2 PHE 39 HD2 PHE 39 39.343 19.352 8.377 269 HE1 PHE 39 HE1 PHE 39 40.811 17.512 12.743 270 HE2 PHE 39 HE2 PHE 39 40.488 20.817 10.017 271 HZ PHE 39 HZ PHE 39 41.222 19.897 12.200 272 H LEU 40 HN LEU 40 35.893 17.803 9.102 273 HA LEU 40 HA LEU 40 36.014 18.564 11.952 274 HB2 LEU 40 HB2 LEU 40 34.975 20.700 11.166 275 HB3 LEU 40 HB1 LEU 40 36.566 20.393 10.471 276 HG LEU 40 HG LEU 40 34.476 19.186 8.856 277 HD11 LEU 40 HD11 LEU 40 33.122 21.050 9.769 278 HD12 LEU 40 HD12 LEU 40 33.457 21.278 8.053 279 HD13 LEU 40 HD13 LEU 40 34.364 22.192 9.258 280 HD21 LEU 40 HD21 LEU 40 36.525 21.366 8.334 281 HD22 LEU 40 HD22 LEU 40 35.631 20.487 7.094 282 HD23 LEU 40 HD23 LEU 40 36.787 19.636 8.117 283 H LEU 41 HN LEU 41 34.096 16.998 9.646 284 HA LEU 41 HA LEU 41 31.798 17.057 11.484 285 HB2 LEU 41 HB2 LEU 41 31.819 17.819 8.586 286 HB3 LEU 41 HB1 LEU 41 30.389 17.044 9.268 287 HG LEU 41 HG LEU 41 31.627 19.341 10.745 288 HD11 LEU 41 HD11 LEU 41 31.442 20.128 8.414 289 HD12 LEU 41 HD12 LEU 41 30.239 20.913 9.438 290 HD13 LEU 41 HD13 LEU 41 29.761 19.597 8.365 291 HD21 LEU 41 HD21 LEU 41 29.562 17.751 11.347 292 HD22 LEU 41 HD22 LEU 41 28.699 18.900 10.324 293 HD23 LEU 41 HD23 LEU 41 29.552 19.465 11.760 294 H GLY 42 HN GLY 42 33.088 14.955 11.862 295 HA2 GLY 42 HA2 GLY 42 31.656 12.741 11.230 296 HA3 GLY 42 HA1 GLY 42 32.762 12.884 9.867 297 H THR 43 HN THR 43 34.701 14.196 11.860 298 HA THR 43 HA THR 43 35.652 11.705 13.144 299 HB THR 43 HB THR 43 37.116 13.753 11.512 300 HG1 THR 43 HG1 THR 43 36.409 11.632 10.760 301 HG21 THR 43 HG21 THR 43 39.220 12.608 12.510 302 HG22 THR 43 HG22 THR 43 38.165 12.179 13.856 303 HG23 THR 43 HG23 THR 43 38.437 13.875 13.454 304 H THR 44 HN THR 44 35.584 15.243 13.231 305 HA THR 44 HA THR 44 36.924 15.781 15.570 306 HB THR 44 HB THR 44 35.616 17.347 13.915 307 HG1 THR 44 HG1 THR 44 35.281 18.523 16.271 308 HG21 THR 44 HG21 THR 44 33.419 16.234 14.750 309 HG22 THR 44 HG22 THR 44 33.449 17.987 14.560 310 HG23 THR 44 HG23 THR 44 33.614 17.272 16.162 311 H GLY 45 HN GLY 45 34.121 13.895 15.187 312 HA2 GLY 45 HA2 GLY 45 32.554 14.200 17.380 313 HA3 GLY 45 HA1 GLY 45 33.000 12.612 16.762 314 H ASN 46 HN ASN 46 34.603 11.421 17.789 315 HA ASN 46 HA ASN 46 35.847 12.598 20.184 316 HB2 ASN 46 HB2 ASN 46 34.175 10.087 20.079 317 HB3 ASN 46 HB1 ASN 46 35.332 10.402 21.371 318 HD21 ASN 46 HD21 ASN 46 35.027 12.972 22.096 319 HD22 ASN 46 HD22 ASN 46 33.418 13.343 22.487 320 H GLY 47 HN GLY 47 35.938 9.202 19.883 321 HA2 GLY 47 HA2 GLY 47 37.780 7.812 19.646 322 HA3 GLY 47 HA1 GLY 47 37.819 8.545 18.045 323 H LEU 48 HN LEU 48 38.291 10.570 20.810 324 HA LEU 48 HA LEU 48 41.215 10.550 20.402 325 HB2 LEU 48 HB2 LEU 48 39.362 12.932 20.402 326 HB3 LEU 48 HB1 LEU 48 41.091 13.081 20.719 327 HG LEU 48 HG LEU 48 40.263 11.512 18.319 328 HD11 LEU 48 HD11 LEU 48 40.116 13.599 16.983 329 HD12 LEU 48 HD12 LEU 48 40.211 14.542 18.470 330 HD13 LEU 48 HD13 LEU 48 38.822 13.496 18.177 331 HD21 LEU 48 HD21 LEU 48 42.637 11.781 18.995 332 HD22 LEU 48 HD22 LEU 48 42.463 13.531 18.868 333 HD23 LEU 48 HD23 LEU 48 42.322 12.524 17.427 334 H VAL 49 HN VAL 49 38.510 10.662 22.490 335 HA VAL 49 HA VAL 49 39.905 11.719 24.788 336 HB VAL 49 HB VAL 49 37.255 10.270 24.568 337 HG11 VAL 49 HG11 VAL 49 37.635 10.090 26.824 338 HG12 VAL 49 HG12 VAL 49 37.081 11.765 26.810 339 HG13 VAL 49 HG13 VAL 49 38.808 11.406 26.836 340 HG21 VAL 49 HG21 VAL 49 36.264 12.471 24.614 341 HG22 VAL 49 HG22 VAL 49 37.492 12.477 23.347 342 HG23 VAL 49 HG23 VAL 49 37.831 13.227 24.906 343 H LEU 50 HN LEU 50 40.503 9.037 23.190 344 HA LEU 50 HA LEU 50 41.191 7.536 25.630 345 HB2 LEU 50 HB2 LEU 50 40.639 5.432 24.214 346 HB3 LEU 50 HB1 LEU 50 39.307 6.313 24.960 347 HG LEU 50 HG LEU 50 40.126 7.236 22.260 348 HD11 LEU 50 HD11 LEU 50 38.773 5.422 21.191 349 HD12 LEU 50 HD12 LEU 50 38.713 4.596 22.747 350 HD13 LEU 50 HD13 LEU 50 40.258 4.825 21.929 351 HD21 LEU 50 HD21 LEU 50 38.176 8.036 23.774 352 HD22 LEU 50 HD22 LEU 50 37.373 6.544 23.287 353 HD23 LEU 50 HD23 LEU 50 37.823 7.740 22.072 354 H TRP 51 HN TRP 51 42.418 9.175 23.227 355 HA TRP 51 HA TRP 51 44.418 7.182 22.390 356 HB2 TRP 51 HB2 TRP 51 44.142 8.179 20.400 357 HB3 TRP 51 HB1 TRP 51 43.170 9.463 21.117 358 HD1 TRP 51 HD1 TRP 51 46.908 8.497 20.837 359 HE1 TRP 51 HE1 TRP 51 48.283 10.670 20.643 360 HE3 TRP 51 HE3 TRP 51 43.170 11.947 21.276 361 HZ2 TRP 51 HZ2 TRP 51 47.853 13.497 20.671 362 HZ3 TRP 51 HZ3 TRP 51 43.679 14.371 21.189 363 HH2 TRP 51 HH2 TRP 51 46.014 15.150 20.887 364 H THR 52 HN THR 52 44.338 10.616 23.380 365 HA THR 52 HA THR 52 47.116 10.581 24.138 366 HB THR 52 HB THR 52 46.094 12.633 23.292 367 HG1 THR 52 HG1 THR 52 47.096 13.879 24.716 368 HG21 THR 52 HG21 THR 52 44.091 13.389 23.993 369 HG22 THR 52 HG22 THR 52 44.568 13.282 25.688 370 HG23 THR 52 HG23 THR 52 43.927 11.862 24.861 371 H VAL 53 HN VAL 53 44.025 10.235 25.751 372 HA VAL 53 HA VAL 53 44.817 10.631 28.410 373 HB VAL 53 HB VAL 53 42.651 8.986 27.124 374 HG11 VAL 53 HG11 VAL 53 41.825 8.831 29.599 375 HG12 VAL 53 HG12 VAL 53 43.528 9.050 30.003 376 HG13 VAL 53 HG13 VAL 53 43.023 7.668 29.030 377 HG21 VAL 53 HG21 VAL 53 42.405 11.248 29.106 378 HG22 VAL 53 HG22 VAL 53 41.232 10.702 27.907 379 HG23 VAL 53 HG23 VAL 53 42.677 11.573 27.394 380 H PHE 54 HN PHE 54 45.277 7.930 26.245 381 HA PHE 54 HA PHE 54 46.204 6.188 28.404 382 HB2 PHE 54 HB2 PHE 54 44.901 5.643 26.075 383 HB3 PHE 54 HB1 PHE 54 46.572 5.333 25.604 384 HD1 PHE 54 HD1 PHE 54 47.909 3.606 26.736 385 HD2 PHE 54 HD2 PHE 54 43.797 4.294 27.772 386 HE1 PHE 54 HE1 PHE 54 47.851 1.443 27.948 387 HE2 PHE 54 HE2 PHE 54 43.740 2.131 28.982 388 HZ PHE 54 HZ PHE 54 45.767 0.705 29.070 389 H ARG 55 HN ARG 55 47.656 8.656 27.793 390 HA ARG 55 HA ARG 55 50.286 7.439 27.285 391 HB2 ARG 55 HB2 ARG 55 49.370 10.033 26.018 392 HB3 ARG 55 HB1 ARG 55 50.945 9.264 25.821 393 HG2 ARG 55 HG2 ARG 55 49.839 7.286 24.814 394 HG3 ARG 55 HG1 ARG 55 48.280 8.096 24.967 395 HD2 ARG 55 HD2 ARG 55 48.816 8.687 22.798 396 HD3 ARG 55 HD1 ARG 55 49.542 10.035 23.668 397 HE ARG 55 HE ARG 55 51.655 9.195 23.123 398 HH11 ARG 55 HH21 ARG 55 49.139 6.932 22.399 399 HH12 ARG 55 HH22 ARG 55 50.168 5.864 21.506 400 HH21 ARG 55 HH11 ARG 55 53.010 7.799 21.952 401 HH22 ARG 55 HH12 ARG 55 52.359 6.354 21.252 402 H LYS 56 HN LYS 56 48.272 9.704 28.903 403 HA LYS 56 HA LYS 56 50.493 11.167 30.094 404 HB2 LYS 56 HB2 LYS 56 48.726 12.425 31.265 405 HB3 LYS 56 HB1 LYS 56 48.446 12.386 29.525 406 HG2 LYS 56 HG2 LYS 56 46.424 11.477 29.887 407 HG3 LYS 56 HG1 LYS 56 47.204 10.074 30.616 408 HD2 LYS 56 HD2 LYS 56 45.667 11.011 32.239 409 HD3 LYS 56 HD1 LYS 56 47.311 11.344 32.783 410 HE2 LYS 56 HE2 LYS 56 46.582 13.491 31.087 411 HE3 LYS 56 HE1 LYS 56 45.210 13.215 32.161 412 HZ1 LYS 56 HZ1 LYS 56 46.438 13.686 34.007 413 HZ2 LYS 56 HZ2 LYS 56 47.211 14.706 32.890 414 HZ3 LYS 56 HZ3 LYS 56 47.908 13.213 33.306 415 H LYS 57 HN LYS 57 49.999 8.222 30.535 416 HA LYS 57 HA LYS 57 50.557 8.227 33.350 417 HB2 LYS 57 HB2 LYS 57 48.693 6.687 33.947 418 HB3 LYS 57 HB1 LYS 57 48.133 8.295 33.488 419 HG2 LYS 57 HG2 LYS 57 46.831 7.342 31.920 420 HG3 LYS 57 HG1 LYS 57 48.292 6.810 31.089 421 HD2 LYS 57 HD2 LYS 57 46.937 4.855 31.526 422 HD3 LYS 57 HD1 LYS 57 48.331 4.798 32.604 423 HE2 LYS 57 HE2 LYS 57 46.906 4.647 34.340 424 HE3 LYS 57 HE1 LYS 57 46.370 6.288 33.975 425 HZ1 LYS 57 HZ1 LYS 57 45.280 3.857 32.668 426 HZ2 LYS 57 HZ2 LYS 57 44.694 5.446 32.530 427 HZ3 LYS 57 HZ3 LYS 57 44.562 4.615 34.005 428 H GLY 58 HN GLY 58 51.546 7.320 30.622 429 HA2 GLY 58 HA2 GLY 58 51.543 4.633 30.172 430 HA3 GLY 58 HA1 GLY 58 52.986 5.625 29.973 431 H HIS 59 HN HIS 59 53.181 6.334 32.784 432 HA HIS 59 HA HIS 59 54.404 3.848 33.738 433 HB2 HIS 59 HB2 HIS 59 55.520 5.293 35.386 434 HB3 HIS 59 HB1 HIS 59 55.772 5.892 33.746 435 HD2 HIS 59 HD2 HIS 59 52.313 6.995 34.358 436 HE1 HIS 59 HE1 HIS 59 54.618 10.028 36.178 437 HE2 HIS 59 HE2 HIS 59 52.300 9.413 35.345 438 H HIS 60 HN HIS 60 51.612 3.829 33.790 439 HA HIS 60 HA HIS 60 51.161 3.423 36.632 440 HB2 HIS 60 HB2 HIS 60 50.397 5.862 35.530 441 HB3 HIS 60 HB1 HIS 60 48.913 4.908 35.529 442 HD2 HIS 60 HD2 HIS 60 47.630 5.254 37.937 443 HE1 HIS 60 HE1 HIS 60 51.033 5.665 40.402 444 HE2 HIS 60 HE2 HIS 60 48.494 5.617 40.375 445 H HIS 61 HN HIS 61 51.237 1.947 33.997 446 HA HIS 61 HA HIS 61 49.011 0.215 34.526 447 HB2 HIS 61 HB2 HIS 61 48.290 2.315 32.979 448 HB3 HIS 61 HB1 HIS 61 48.869 1.202 31.738 449 HD2 HIS 61 HD2 HIS 61 47.732 -1.530 33.520 450 HE1 HIS 61 HE1 HIS 61 43.991 0.215 32.632 451 HE2 HIS 61 HE2 HIS 61 45.152 -1.914 33.386 452 H HIS 62 HN HIS 62 51.882 0.026 34.352 453 HA HIS 62 HA HIS 62 52.041 -2.195 32.470 454 HB2 HIS 62 HB2 HIS 62 52.893 0.226 31.558 455 HB3 HIS 62 HB1 HIS 62 54.373 -0.401 32.282 456 HD2 HIS 62 HD2 HIS 62 55.743 -1.686 30.265 457 HE1 HIS 62 HE1 HIS 62 52.450 -3.522 28.364 458 HE2 HIS 62 HE2 HIS 62 54.977 -3.277 28.341 459 H HIS 63 HN HIS 63 52.775 -3.802 33.695 460 HA HIS 63 HA HIS 63 55.283 -3.648 35.049 461 HB2 HIS 63 HB2 HIS 63 54.220 -4.228 37.332 462 HB3 HIS 63 HB1 HIS 63 54.219 -2.538 36.829 463 HD2 HIS 63 HD2 HIS 63 51.664 -1.458 36.294 464 HE1 HIS 63 HE1 HIS 63 49.474 -4.957 37.186 465 HE2 HIS 63 HE2 HIS 63 49.288 -2.479 36.657 466 H HIS 64 HN HIS 64 54.788 -5.365 33.174 467 HA HIS 64 HA HIS 64 53.397 -7.681 33.468 468 HB2 HIS 64 HB2 HIS 64 56.098 -7.088 32.331 469 HB3 HIS 64 HB1 HIS 64 55.594 -8.773 32.475 470 HD2 HIS 64 HD2 HIS 64 53.689 -9.585 30.592 471 HE1 HIS 64 HE1 HIS 64 53.010 -5.795 28.862 472 HE2 HIS 64 HE2 HIS 64 52.507 -8.277 28.667 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 53.133 -2.812 -53.701 2 H2 MET 1 HT2 MET 1 51.774 -1.794 -53.767 3 H3 MET 1 HT3 MET 1 52.115 -2.845 -55.058 4 HA MET 1 HA MET 1 50.278 -3.528 -53.462 5 HB2 MET 1 HB2 MET 1 52.468 -5.579 -53.694 6 HB3 MET 1 HB1 MET 1 50.729 -5.782 -53.916 7 HG2 MET 1 HG2 MET 1 51.529 -5.804 -56.123 8 HG3 MET 1 HG1 MET 1 51.035 -4.124 -55.909 9 HE1 MET 1 HE1 MET 1 52.255 -3.639 -57.906 10 HE2 MET 1 HE2 MET 1 53.275 -5.039 -58.225 11 HE3 MET 1 HE3 MET 1 54.004 -3.442 -58.078 12 H GLU 2 HN GLU 2 51.479 -1.927 -51.666 13 HA GLU 2 HA GLU 2 52.666 -3.613 -49.578 14 HB2 GLU 2 HB2 GLU 2 52.674 -0.739 -50.233 15 HB3 GLU 2 HB1 GLU 2 52.548 -1.104 -48.512 16 HG2 GLU 2 HG2 GLU 2 54.539 -2.507 -48.621 17 HG3 GLU 2 HG1 GLU 2 54.638 -2.279 -50.366 18 H GLU 3 HN GLU 3 50.900 -4.792 -48.839 19 HA GLU 3 HA GLU 3 48.342 -3.811 -48.280 20 HB2 GLU 3 HB2 GLU 3 49.957 -6.136 -47.318 21 HB3 GLU 3 HB1 GLU 3 48.453 -5.746 -46.481 22 HG2 GLU 3 HG2 GLU 3 47.139 -6.173 -48.352 23 HG3 GLU 3 HG1 GLU 3 48.460 -5.860 -49.477 24 H GLY 4 HN GLY 4 47.342 -3.192 -46.312 25 HA2 GLY 4 HA2 GLY 4 49.174 -1.779 -44.487 26 HA3 GLY 4 HA1 GLY 4 47.466 -1.414 -44.713 27 H GLY 5 HN GLY 5 48.057 -4.739 -44.574 28 HA2 GLY 5 HA2 GLY 5 46.761 -4.927 -41.979 29 HA3 GLY 5 HA1 GLY 5 47.143 -6.264 -43.059 30 H ASP 6 HN ASP 6 49.375 -6.998 -43.157 31 HA ASP 6 HA ASP 6 50.532 -7.320 -40.603 32 HB2 ASP 6 HB2 ASP 6 50.749 -8.735 -42.819 33 HB3 ASP 6 HB1 ASP 6 52.152 -7.703 -43.087 34 H PHE 7 HN PHE 7 50.428 -4.587 -42.353 35 HA PHE 7 HA PHE 7 53.165 -3.720 -41.698 36 HB2 PHE 7 HB2 PHE 7 52.849 -3.036 -43.866 37 HB3 PHE 7 HB1 PHE 7 51.105 -2.855 -43.668 38 HD1 PHE 7 HD1 PHE 7 50.163 -0.851 -42.558 39 HD2 PHE 7 HD2 PHE 7 54.373 -1.241 -43.316 40 HE1 PHE 7 HE1 PHE 7 50.460 1.577 -42.154 41 HE2 PHE 7 HE2 PHE 7 54.670 1.187 -42.911 42 HZ PHE 7 HZ PHE 7 52.714 2.596 -42.330 43 H ASP 8 HN ASP 8 49.807 -3.235 -40.906 44 HA ASP 8 HA ASP 8 49.786 -0.760 -39.690 45 HB2 ASP 8 HB2 ASP 8 47.793 -2.189 -39.926 46 HB3 ASP 8 HB1 ASP 8 48.429 -3.274 -38.691 47 H ASN 9 HN ASN 9 50.572 0.113 -37.853 48 HA ASN 9 HA ASN 9 52.397 -1.541 -36.257 49 HB2 ASN 9 HB2 ASN 9 53.281 0.564 -35.424 50 HB3 ASN 9 HB1 ASN 9 53.205 0.617 -37.184 51 HD21 ASN 9 HD21 ASN 9 52.098 2.147 -34.277 52 HD22 ASN 9 HD22 ASN 9 51.054 3.263 -35.015 53 H TYR 10 HN TYR 10 49.335 -1.418 -36.096 54 HA TYR 10 HA TYR 10 47.808 -1.738 -34.403 55 HB2 TYR 10 HB2 TYR 10 49.869 -1.192 -32.303 56 HB3 TYR 10 HB1 TYR 10 48.547 -2.359 -32.300 57 HD1 TYR 10 HD2 TYR 10 48.701 -4.111 -34.365 58 HD2 TYR 10 HD1 TYR 10 52.017 -2.070 -32.549 59 HE1 TYR 10 HE2 TYR 10 50.238 -5.873 -35.191 60 HE2 TYR 10 HE1 TYR 10 53.554 -3.832 -33.375 61 HH TYR 10 HH TYR 10 53.733 -5.745 -34.475 62 H TYR 11 HN TYR 11 50.123 0.898 -33.921 63 HA TYR 11 HA TYR 11 49.784 3.133 -33.492 64 HB2 TYR 11 HB2 TYR 11 47.672 2.520 -35.027 65 HB3 TYR 11 HB1 TYR 11 46.821 2.891 -33.527 66 HD1 TYR 11 HD1 TYR 11 49.621 4.245 -35.629 67 HD2 TYR 11 HD2 TYR 11 46.246 5.118 -33.120 68 HE1 TYR 11 HE1 TYR 11 49.927 6.668 -36.061 69 HE2 TYR 11 HE2 TYR 11 46.551 7.540 -33.552 70 HH TYR 11 HH TYR 11 49.327 8.842 -34.834 71 H GLY 12 HN GLY 12 47.411 4.181 -32.096 72 HA2 GLY 12 HA2 GLY 12 48.204 4.264 -29.502 73 HA3 GLY 12 HA1 GLY 12 46.507 4.351 -29.966 74 H ALA 13 HN ALA 13 45.928 1.860 -30.840 75 HA ALA 13 HA ALA 13 45.497 -0.311 -30.201 76 HB1 ALA 13 HB1 ALA 13 47.143 -1.529 -29.139 77 HB2 ALA 13 HB2 ALA 13 47.547 -0.217 -28.031 78 HB3 ALA 13 HB3 ALA 13 48.095 -0.156 -29.706 79 H ASP 14 HN ASP 14 46.176 1.942 -27.547 80 HA ASP 14 HA ASP 14 44.655 0.702 -25.547 81 HB2 ASP 14 HB2 ASP 14 44.939 3.688 -25.898 82 HB3 ASP 14 HB1 ASP 14 44.720 2.793 -24.396 83 H ASN 15 HN ASN 15 43.687 2.458 -28.363 84 HA ASN 15 HA ASN 15 41.248 3.535 -27.764 85 HB2 ASN 15 HB2 ASN 15 42.578 2.973 -30.082 86 HB3 ASN 15 HB1 ASN 15 41.199 1.880 -30.199 87 HD21 ASN 15 HD21 ASN 15 42.079 4.867 -31.193 88 HD22 ASN 15 HD22 ASN 15 40.581 5.661 -31.137 89 H GLN 16 HN GLN 16 42.033 0.119 -28.163 90 HA GLN 16 HA GLN 16 39.243 -0.601 -27.556 91 HB2 GLN 16 HB2 GLN 16 41.319 -2.649 -28.193 92 HB3 GLN 16 HB1 GLN 16 39.607 -2.614 -28.616 93 HG2 GLN 16 HG2 GLN 16 40.131 -0.668 -30.153 94 HG3 GLN 16 HG1 GLN 16 41.839 -0.990 -29.860 95 HE21 GLN 16 HE21 GLN 16 39.158 -1.871 -31.809 96 HE22 GLN 16 HE22 GLN 16 39.844 -3.250 -32.523 97 H SER 17 HN SER 17 40.674 0.501 -25.443 98 HA SER 17 HA SER 17 40.852 -1.827 -23.649 99 HB2 SER 17 HB2 SER 17 42.841 0.451 -23.615 100 HB3 SER 17 HB1 SER 17 42.851 -0.980 -22.588 101 HG SER 17 HG SER 17 43.025 -0.994 -25.425 102 H GLU 18 HN GLU 18 41.406 -0.585 -21.307 103 HA GLU 18 HA GLU 18 38.967 0.424 -20.450 104 HB2 GLU 18 HB2 GLU 18 41.718 0.942 -19.296 105 HB3 GLU 18 HB1 GLU 18 40.194 1.230 -18.457 106 HG2 GLU 18 HG2 GLU 18 39.811 -0.995 -18.102 107 HG3 GLU 18 HG1 GLU 18 40.526 -1.468 -19.643 108 H CYS 19 HN CYS 19 38.289 1.969 -22.019 109 HA CYS 19 HA CYS 19 39.790 4.439 -22.303 110 HB2 CYS 19 HB2 CYS 19 37.660 5.062 -23.647 111 HB3 CYS 19 HB1 CYS 19 38.728 3.820 -24.298 112 HG CYS 19 HG CYS 19 36.559 2.552 -24.354 113 H GLU 20 HN GLU 20 39.769 5.224 -20.159 114 HA GLU 20 HA GLU 20 38.998 6.630 -18.514 115 HB2 GLU 20 HB2 GLU 20 36.372 6.922 -19.940 116 HB3 GLU 20 HB1 GLU 20 37.264 8.111 -18.993 117 HG2 GLU 20 HG2 GLU 20 39.086 7.645 -20.925 118 HG3 GLU 20 HG1 GLU 20 37.613 7.309 -21.834 119 H TYR 21 HN TYR 21 38.373 3.685 -18.686 120 HA TYR 21 HA TYR 21 35.887 3.516 -17.142 121 HB2 TYR 21 HB2 TYR 21 37.626 1.572 -18.593 122 HB3 TYR 21 HB1 TYR 21 36.662 0.977 -17.240 123 HD1 TYR 21 HD2 TYR 21 36.490 2.752 -20.502 124 HD2 TYR 21 HD1 TYR 21 34.291 0.740 -17.409 125 HE1 TYR 21 HE2 TYR 21 34.472 2.746 -21.941 126 HE2 TYR 21 HE1 TYR 21 32.272 0.734 -18.849 127 HH TYR 21 HH TYR 21 31.348 1.812 -20.722 128 H THR 22 HN THR 22 39.051 4.150 -16.505 129 HA THR 22 HA THR 22 38.782 3.753 -13.706 130 HB THR 22 HB THR 22 39.139 1.390 -14.339 131 HG1 THR 22 HG1 THR 22 41.206 1.224 -13.096 132 HG21 THR 22 HG21 THR 22 41.929 2.076 -15.193 133 HG22 THR 22 HG22 THR 22 40.618 2.209 -16.365 134 HG23 THR 22 HG23 THR 22 40.955 0.660 -15.592 135 H ASP 23 HN ASP 23 41.052 4.014 -16.419 136 HA ASP 23 HA ASP 23 43.063 5.377 -14.888 137 HB2 ASP 23 HB2 ASP 23 43.445 4.020 -17.004 138 HB3 ASP 23 HB1 ASP 23 42.771 5.386 -17.891 139 H TRP 24 HN TRP 24 41.161 6.846 -14.081 140 HA TRP 24 HA TRP 24 41.577 9.426 -15.300 141 HB2 TRP 24 HB2 TRP 24 39.388 9.902 -16.017 142 HB3 TRP 24 HB1 TRP 24 39.685 8.274 -16.626 143 HD1 TRP 24 HD1 TRP 24 38.156 6.381 -15.794 144 HE1 TRP 24 HE1 TRP 24 36.197 6.239 -14.123 145 HE3 TRP 24 HE3 TRP 24 38.480 11.008 -13.656 146 HZ2 TRP 24 HZ2 TRP 24 34.934 7.871 -12.143 147 HZ3 TRP 24 HZ3 TRP 24 36.888 11.688 -11.883 148 HH2 TRP 24 HH2 TRP 24 35.117 10.126 -11.126 149 H LYS 25 HN LYS 25 39.892 7.413 -12.952 150 HA LYS 25 HA LYS 25 38.719 9.139 -11.230 151 HB2 LYS 25 HB2 LYS 25 39.433 7.635 -9.377 152 HB3 LYS 25 HB1 LYS 25 38.805 6.757 -10.772 153 HG2 LYS 25 HG2 LYS 25 41.192 6.501 -11.570 154 HG3 LYS 25 HG1 LYS 25 41.711 7.159 -10.018 155 HD2 LYS 25 HD2 LYS 25 41.727 4.921 -9.472 156 HD3 LYS 25 HD1 LYS 25 40.038 5.277 -9.104 157 HE2 LYS 25 HE2 LYS 25 39.599 4.683 -11.596 158 HE3 LYS 25 HE1 LYS 25 41.186 3.916 -11.536 159 HZ1 LYS 25 HZ1 LYS 25 38.953 3.338 -9.666 160 HZ2 LYS 25 HZ2 LYS 25 40.458 2.552 -9.714 161 HZ3 LYS 25 HZ3 LYS 25 39.365 2.381 -11.003 162 H SER 26 HN SER 26 39.275 10.781 -9.925 163 HA SER 26 HA SER 26 41.899 11.906 -10.096 164 HB2 SER 26 HB2 SER 26 40.804 13.330 -8.116 165 HB3 SER 26 HB1 SER 26 40.374 13.589 -9.803 166 HG SER 26 HG SER 26 38.972 12.275 -7.759 167 H SER 27 HN SER 27 40.099 11.168 -7.115 168 HA SER 27 HA SER 27 40.745 10.086 -5.184 169 HB2 SER 27 HB2 SER 27 42.021 8.631 -7.052 170 HB3 SER 27 HB1 SER 27 43.416 9.316 -6.222 171 HG SER 27 HG SER 27 42.060 8.632 -4.259 172 H GLY 28 HN GLY 28 42.575 12.461 -6.792 173 HA2 GLY 28 HA2 GLY 28 43.623 13.415 -4.216 174 HA3 GLY 28 HA1 GLY 28 44.750 13.212 -5.554 175 H ALA 29 HN ALA 29 41.723 14.045 -6.721 176 HA ALA 29 HA ALA 29 42.597 16.828 -7.121 177 HB1 ALA 29 HB1 ALA 29 41.374 16.847 -9.100 178 HB2 ALA 29 HB2 ALA 29 40.280 15.576 -8.556 179 HB3 ALA 29 HB3 ALA 29 41.928 15.174 -9.037 180 H LEU 30 HN LEU 30 39.495 15.106 -6.692 181 HA LEU 30 HA LEU 30 38.455 17.472 -5.280 182 HB2 LEU 30 HB2 LEU 30 36.242 16.505 -5.677 183 HB3 LEU 30 HB1 LEU 30 37.138 16.624 -7.191 184 HG LEU 30 HG LEU 30 37.845 14.123 -6.140 185 HD11 LEU 30 HD11 LEU 30 35.762 13.026 -5.624 186 HD12 LEU 30 HD12 LEU 30 34.837 14.473 -6.025 187 HD13 LEU 30 HD13 LEU 30 35.866 14.453 -4.592 188 HD21 LEU 30 HD21 LEU 30 35.834 14.939 -8.260 189 HD22 LEU 30 HD22 LEU 30 36.443 13.296 -8.058 190 HD23 LEU 30 HD23 LEU 30 37.547 14.597 -8.503 191 H ILE 31 HN ILE 31 39.979 14.669 -4.539 192 HA ILE 31 HA ILE 31 38.344 13.711 -2.392 193 HB ILE 31 HB ILE 31 40.872 12.983 -3.653 194 HG12 ILE 31 HG12 ILE 31 40.090 10.742 -3.020 195 HG13 ILE 31 HG11 ILE 31 38.858 11.458 -1.979 196 HG21 ILE 31 HG21 ILE 31 41.770 11.808 -1.630 197 HG22 ILE 31 HG22 ILE 31 40.633 12.713 -0.636 198 HG23 ILE 31 HG23 ILE 31 41.905 13.562 -1.523 199 HD11 ILE 31 HD11 ILE 31 37.495 11.935 -3.727 200 HD12 ILE 31 HD12 ILE 31 38.486 10.787 -4.627 201 HD13 ILE 31 HD13 ILE 31 38.832 12.514 -4.721 202 HA PRO 32 HA PRO 32 41.700 16.211 0.182 203 HB2 PRO 32 HB2 PRO 32 41.870 18.589 -1.590 204 HB3 PRO 32 HB1 PRO 32 43.150 17.767 -0.679 205 HG2 PRO 32 HG2 PRO 32 42.951 17.550 -3.330 206 HG3 PRO 32 HG1 PRO 32 43.498 16.203 -2.317 207 HD2 PRO 32 HD2 PRO 32 40.846 16.612 -3.642 208 HD3 PRO 32 HD1 PRO 32 41.747 15.106 -3.362 209 H ALA 33 HN ALA 33 38.924 17.181 -1.580 210 HA ALA 33 HA ALA 33 38.222 19.353 0.237 211 HB1 ALA 33 HB1 ALA 33 37.059 18.216 -2.279 212 HB2 ALA 33 HB2 ALA 33 37.507 19.881 -1.907 213 HB3 ALA 33 HB3 ALA 33 36.040 19.187 -1.215 214 H ILE 34 HN ILE 34 36.466 16.457 -0.900 215 HA ILE 34 HA ILE 34 34.519 16.332 1.028 216 HB ILE 34 HB ILE 34 36.014 13.998 -0.193 217 HG12 ILE 34 HG12 ILE 34 33.348 15.112 -1.055 218 HG13 ILE 34 HG11 ILE 34 34.851 15.797 -1.676 219 HG21 ILE 34 HG21 ILE 34 33.417 13.214 0.239 220 HG22 ILE 34 HG22 ILE 34 33.731 14.212 1.659 221 HG23 ILE 34 HG23 ILE 34 34.767 12.830 1.307 222 HD11 ILE 34 HD11 ILE 34 34.023 14.046 -3.191 223 HD12 ILE 34 HD12 ILE 34 34.018 12.887 -1.862 224 HD13 ILE 34 HD13 ILE 34 35.544 13.548 -2.449 225 H TYR 35 HN TYR 35 37.838 15.097 1.248 226 HA TYR 35 HA TYR 35 37.698 13.763 3.678 227 HB2 TYR 35 HB2 TYR 35 39.814 15.031 2.075 228 HB3 TYR 35 HB1 TYR 35 40.172 14.924 3.798 229 HD1 TYR 35 HD1 TYR 35 38.209 12.670 1.540 230 HD2 TYR 35 HD2 TYR 35 41.624 13.109 4.109 231 HE1 TYR 35 HE1 TYR 35 38.710 10.255 1.287 232 HE2 TYR 35 HE2 TYR 35 42.125 10.694 3.856 233 HH TYR 35 HH TYR 35 40.668 8.755 1.482 234 H MET 36 HN MET 36 38.335 17.213 3.082 235 HA MET 36 HA MET 36 38.708 17.990 5.754 236 HB2 MET 36 HB2 MET 36 39.260 19.445 3.855 237 HB3 MET 36 HB1 MET 36 37.546 19.587 3.458 238 HG2 MET 36 HG2 MET 36 37.195 21.130 5.073 239 HG3 MET 36 HG1 MET 36 38.103 20.200 6.265 240 HE1 MET 36 HE1 MET 36 41.341 21.020 6.459 241 HE2 MET 36 HE2 MET 36 41.498 20.413 4.812 242 HE3 MET 36 HE3 MET 36 40.358 19.652 5.920 243 H LEU 37 HN LEU 37 35.828 17.243 3.953 244 HA LEU 37 HA LEU 37 34.049 18.464 5.903 245 HB2 LEU 37 HB2 LEU 37 33.281 16.589 3.666 246 HB3 LEU 37 HB1 LEU 37 32.275 17.795 4.468 247 HG LEU 37 HG LEU 37 34.668 18.340 2.687 248 HD11 LEU 37 HD11 LEU 37 31.953 17.898 2.095 249 HD12 LEU 37 HD12 LEU 37 33.170 18.591 1.023 250 HD13 LEU 37 HD13 LEU 37 32.167 19.647 2.018 251 HD21 LEU 37 HD21 LEU 37 33.033 20.079 4.520 252 HD22 LEU 37 HD22 LEU 37 33.720 20.763 3.047 253 HD23 LEU 37 HD23 LEU 37 34.778 20.062 4.272 254 H VAL 38 HN VAL 38 35.397 15.330 5.164 255 HA VAL 38 HA VAL 38 33.600 13.975 7.033 256 HB VAL 38 HB VAL 38 35.871 12.920 5.330 257 HG11 VAL 38 HG11 VAL 38 35.740 11.269 6.922 258 HG12 VAL 38 HG12 VAL 38 34.374 10.763 5.928 259 HG13 VAL 38 HG13 VAL 38 34.097 11.708 7.392 260 HG21 VAL 38 HG21 VAL 38 32.860 12.972 5.019 261 HG22 VAL 38 HG22 VAL 38 33.889 11.869 4.104 262 HG23 VAL 38 HG23 VAL 38 34.072 13.612 3.909 263 H PHE 39 HN PHE 39 36.103 15.924 7.468 264 HA PHE 39 HA PHE 39 37.555 14.260 9.403 265 HB2 PHE 39 HB2 PHE 39 38.680 15.837 7.688 266 HB3 PHE 39 HB1 PHE 39 38.168 17.136 8.765 267 HD1 PHE 39 HD1 PHE 39 40.032 13.897 8.702 268 HD2 PHE 39 HD2 PHE 39 39.395 17.636 10.719 269 HE1 PHE 39 HE1 PHE 39 41.956 13.421 10.193 270 HE2 PHE 39 HE2 PHE 39 41.318 17.159 12.210 271 HZ PHE 39 HZ PHE 39 42.599 15.052 11.946 272 H LEU 40 HN LEU 40 35.500 17.120 9.202 273 HA LEU 40 HA LEU 40 35.711 17.727 12.014 274 HB2 LEU 40 HB2 LEU 40 33.503 18.725 10.242 275 HB3 LEU 40 HB1 LEU 40 34.320 19.547 11.571 276 HG LEU 40 HG LEU 40 35.493 18.899 8.853 277 HD11 LEU 40 HD11 LEU 40 33.900 21.002 9.575 278 HD12 LEU 40 HD12 LEU 40 35.126 21.081 8.308 279 HD13 LEU 40 HD13 LEU 40 35.501 21.649 9.935 280 HD21 LEU 40 HD21 LEU 40 36.715 19.913 11.417 281 HD22 LEU 40 HD22 LEU 40 37.418 20.331 9.856 282 HD23 LEU 40 HD23 LEU 40 37.303 18.641 10.347 283 H LEU 41 HN LEU 41 34.179 15.317 10.330 284 HA LEU 41 HA LEU 41 32.264 14.900 12.531 285 HB2 LEU 41 HB2 LEU 41 31.629 14.516 9.595 286 HB3 LEU 41 HB1 LEU 41 30.550 14.170 10.948 287 HG LEU 41 HG LEU 41 31.217 16.740 11.515 288 HD11 LEU 41 HD11 LEU 41 32.533 16.756 9.320 289 HD12 LEU 41 HD12 LEU 41 31.359 18.055 9.528 290 HD13 LEU 41 HD13 LEU 41 30.974 16.675 8.500 291 HD21 LEU 41 HD21 LEU 41 28.939 15.832 11.399 292 HD22 LEU 41 HD22 LEU 41 29.030 15.787 9.638 293 HD23 LEU 41 HD23 LEU 41 29.033 17.335 10.482 294 H GLY 42 HN GLY 42 34.903 13.794 11.055 295 HA2 GLY 42 HA2 GLY 42 34.157 10.985 10.814 296 HA3 GLY 42 HA1 GLY 42 35.743 11.678 10.487 297 H THR 43 HN THR 43 36.208 13.032 12.874 298 HA THR 43 HA THR 43 36.030 10.981 14.976 299 HB THR 43 HB THR 43 38.194 10.641 13.855 300 HG1 THR 43 HG1 THR 43 38.071 10.389 16.112 301 HG21 THR 43 HG21 THR 43 38.253 13.154 13.168 302 HG22 THR 43 HG22 THR 43 39.774 12.350 13.556 303 HG23 THR 43 HG23 THR 43 39.002 13.400 14.745 304 H THR 44 HN THR 44 36.868 14.299 14.072 305 HA THR 44 HA THR 44 37.150 15.416 16.611 306 HB THR 44 HB THR 44 36.180 16.543 13.992 307 HG1 THR 44 HG1 THR 44 38.484 16.919 15.602 308 HG21 THR 44 HG21 THR 44 36.568 18.790 15.242 309 HG22 THR 44 HG22 THR 44 36.310 17.840 16.705 310 HG23 THR 44 HG23 THR 44 35.038 17.949 15.488 311 H GLY 45 HN GLY 45 34.253 14.631 14.774 312 HA2 GLY 45 HA2 GLY 45 32.259 16.006 16.025 313 HA3 GLY 45 HA1 GLY 45 32.081 14.328 15.521 314 H ASN 46 HN ASN 46 34.312 13.584 17.423 315 HA ASN 46 HA ASN 46 32.944 13.957 20.004 316 HB2 ASN 46 HB2 ASN 46 33.044 11.505 18.468 317 HB3 ASN 46 HB1 ASN 46 33.857 11.307 20.021 318 HD21 ASN 46 HD21 ASN 46 31.063 13.436 19.276 319 HD22 ASN 46 HD22 ASN 46 30.002 12.673 20.361 320 H GLY 47 HN GLY 47 35.656 14.391 18.333 321 HA2 GLY 47 HA2 GLY 47 37.561 13.389 20.311 322 HA3 GLY 47 HA1 GLY 47 37.956 14.190 18.793 323 H LEU 48 HN LEU 48 35.521 15.869 20.352 324 HA LEU 48 HA LEU 48 37.449 17.885 21.291 325 HB2 LEU 48 HB2 LEU 48 34.650 17.967 20.265 326 HB3 LEU 48 HB1 LEU 48 35.135 19.198 21.432 327 HG LEU 48 HG LEU 48 36.940 18.598 19.112 328 HD11 LEU 48 HD11 LEU 48 35.742 20.303 17.778 329 HD12 LEU 48 HD12 LEU 48 34.500 20.400 19.027 330 HD13 LEU 48 HD13 LEU 48 34.712 18.910 18.108 331 HD21 LEU 48 HD21 LEU 48 36.315 21.317 20.187 332 HD22 LEU 48 HD22 LEU 48 37.851 20.662 19.620 333 HD23 LEU 48 HD23 LEU 48 37.242 20.223 21.216 334 H VAL 49 HN VAL 49 35.001 15.679 22.376 335 HA VAL 49 HA VAL 49 34.474 16.913 24.899 336 HB VAL 49 HB VAL 49 33.636 14.556 25.470 337 HG11 VAL 49 HG11 VAL 49 32.654 16.356 23.288 338 HG12 VAL 49 HG12 VAL 49 31.927 15.996 24.853 339 HG13 VAL 49 HG13 VAL 49 31.827 14.820 23.543 340 HG21 VAL 49 HG21 VAL 49 33.565 13.889 22.610 341 HG22 VAL 49 HG22 VAL 49 33.934 12.859 23.993 342 HG23 VAL 49 HG23 VAL 49 35.192 13.871 23.287 343 H LEU 50 HN LEU 50 37.325 16.044 23.866 344 HA LEU 50 HA LEU 50 38.173 14.758 26.394 345 HB2 LEU 50 HB2 LEU 50 39.670 14.719 23.770 346 HB3 LEU 50 HB1 LEU 50 39.998 13.758 25.210 347 HG LEU 50 HG LEU 50 37.512 13.581 23.484 348 HD11 LEU 50 HD11 LEU 50 39.386 11.306 23.966 349 HD12 LEU 50 HD12 LEU 50 39.900 12.563 22.842 350 HD13 LEU 50 HD13 LEU 50 38.407 11.671 22.546 351 HD21 LEU 50 HD21 LEU 50 37.321 11.441 25.041 352 HD22 LEU 50 HD22 LEU 50 36.714 13.003 25.589 353 HD23 LEU 50 HD23 LEU 50 38.286 12.425 26.141 354 H TRP 51 HN TRP 51 39.117 17.103 23.892 355 HA TRP 51 HA TRP 51 41.192 18.221 25.591 356 HB2 TRP 51 HB2 TRP 51 41.855 18.311 23.370 357 HB3 TRP 51 HB1 TRP 51 40.233 18.688 22.793 358 HD1 TRP 51 HD1 TRP 51 42.556 20.443 25.351 359 HE1 TRP 51 HE1 TRP 51 42.654 22.949 24.749 360 HE3 TRP 51 HE3 TRP 51 39.596 20.468 21.191 361 HZ2 TRP 51 HZ2 TRP 51 41.613 24.727 22.767 362 HZ3 TRP 51 HZ3 TRP 51 39.165 22.579 19.967 363 HH2 TRP 51 HH2 TRP 51 40.170 24.706 20.748 364 H THR 52 HN THR 52 37.896 18.913 24.665 365 HA THR 52 HA THR 52 37.929 21.613 25.705 366 HB THR 52 HB THR 52 35.506 19.935 25.041 367 HG1 THR 52 HG1 THR 52 35.747 20.970 22.965 368 HG21 THR 52 HG21 THR 52 35.780 22.478 26.122 369 HG22 THR 52 HG22 THR 52 34.344 21.851 25.311 370 HG23 THR 52 HG23 THR 52 35.531 22.787 24.403 371 H VAL 53 HN VAL 53 36.410 18.532 26.669 372 HA VAL 53 HA VAL 53 35.118 19.240 28.964 373 HB VAL 53 HB VAL 53 35.563 16.892 27.848 374 HG11 VAL 53 HG11 VAL 53 37.404 16.674 30.225 375 HG12 VAL 53 HG12 VAL 53 38.029 17.082 28.627 376 HG13 VAL 53 HG13 VAL 53 37.199 15.549 28.883 377 HG21 VAL 53 HG21 VAL 53 33.891 17.286 29.577 378 HG22 VAL 53 HG22 VAL 53 35.143 17.344 30.818 379 HG23 VAL 53 HG23 VAL 53 34.798 15.830 29.983 380 H PHE 54 HN PHE 54 38.542 19.177 28.413 381 HA PHE 54 HA PHE 54 39.135 19.512 31.263 382 HB2 PHE 54 HB2 PHE 54 40.463 18.167 29.308 383 HB3 PHE 54 HB1 PHE 54 41.321 19.709 29.290 384 HD1 PHE 54 HD2 PHE 54 42.511 20.519 31.283 385 HD2 PHE 54 HD1 PHE 54 40.515 16.716 31.260 386 HE1 PHE 54 HE2 PHE 54 43.722 19.872 33.350 387 HE2 PHE 54 HE1 PHE 54 41.726 16.068 33.326 388 HZ PHE 54 HZ PHE 54 43.328 17.646 34.370 389 H ARG 55 HN ARG 55 37.690 21.558 29.696 390 HA ARG 55 HA ARG 55 39.472 23.811 30.315 391 HB2 ARG 55 HB2 ARG 55 38.043 23.379 27.686 392 HB3 ARG 55 HB1 ARG 55 38.686 24.940 28.197 393 HG2 ARG 55 HG2 ARG 55 40.936 23.958 28.398 394 HG3 ARG 55 HG1 ARG 55 40.301 22.390 27.904 395 HD2 ARG 55 HD2 ARG 55 40.375 22.958 25.727 396 HD3 ARG 55 HD1 ARG 55 39.516 24.466 26.033 397 HE ARG 55 HE ARG 55 41.564 25.487 25.750 398 HH11 ARG 55 HH21 ARG 55 41.974 22.358 27.171 399 HH12 ARG 55 HH22 ARG 55 43.695 22.492 27.306 400 HH21 ARG 55 HH11 ARG 55 43.822 25.670 25.923 401 HH22 ARG 55 HH12 ARG 55 44.742 24.366 26.599 402 H LYS 56 HN LYS 56 36.350 22.386 30.094 403 HA LYS 56 HA LYS 56 34.967 24.883 30.746 404 HB2 LYS 56 HB2 LYS 56 32.925 23.607 30.488 405 HB3 LYS 56 HB1 LYS 56 33.981 23.266 29.116 406 HG2 LYS 56 HG2 LYS 56 33.660 21.082 29.624 407 HG3 LYS 56 HG1 LYS 56 34.771 21.370 30.962 408 HD2 LYS 56 HD2 LYS 56 32.848 20.405 31.970 409 HD3 LYS 56 HD1 LYS 56 32.710 22.133 32.296 410 HE2 LYS 56 HE2 LYS 56 31.469 21.888 29.840 411 HE3 LYS 56 HE1 LYS 56 30.997 20.399 30.659 412 HZ1 LYS 56 HZ1 LYS 56 30.363 23.166 31.319 413 HZ2 LYS 56 HZ2 LYS 56 30.633 22.112 32.624 414 HZ3 LYS 56 HZ3 LYS 56 29.419 21.766 31.486 415 H LYS 57 HN LYS 57 36.232 22.047 32.265 416 HA LYS 57 HA LYS 57 34.632 21.922 34.568 417 HB2 LYS 57 HB2 LYS 57 36.292 20.192 33.859 418 HB3 LYS 57 HB1 LYS 57 37.584 21.289 34.335 419 HG2 LYS 57 HG2 LYS 57 37.156 19.721 36.152 420 HG3 LYS 57 HG1 LYS 57 36.658 21.335 36.648 421 HD2 LYS 57 HD2 LYS 57 34.413 20.805 36.620 422 HD3 LYS 57 HD1 LYS 57 34.602 19.607 35.340 423 HE2 LYS 57 HE2 LYS 57 35.684 18.065 36.925 424 HE3 LYS 57 HE1 LYS 57 35.528 19.265 38.208 425 HZ1 LYS 57 HZ1 LYS 57 33.564 18.338 38.615 426 HZ2 LYS 57 HZ2 LYS 57 33.575 17.457 37.161 427 HZ3 LYS 57 HZ3 LYS 57 33.014 19.061 37.182 428 H GLY 58 HN GLY 58 37.385 23.945 33.728 429 HA2 GLY 58 HA2 GLY 58 37.649 26.139 34.652 430 HA3 GLY 58 HA1 GLY 58 36.839 25.585 36.114 431 H HIS 59 HN HIS 59 38.263 23.182 36.510 432 HA HIS 59 HA HIS 59 41.092 23.660 36.525 433 HB2 HIS 59 HB2 HIS 59 41.416 23.935 38.901 434 HB3 HIS 59 HB1 HIS 59 40.309 25.193 38.348 435 HD2 HIS 59 HD2 HIS 59 37.862 22.573 38.346 436 HE1 HIS 59 HE1 HIS 59 38.209 23.353 42.481 437 HE2 HIS 59 HE2 HIS 59 36.776 22.248 40.699 438 H HIS 60 HN HIS 60 41.037 22.157 39.242 439 HA HIS 60 HA HIS 60 41.079 19.513 38.053 440 HB2 HIS 60 HB2 HIS 60 41.706 20.565 40.814 441 HB3 HIS 60 HB1 HIS 60 41.741 18.846 40.418 442 HD2 HIS 60 HD2 HIS 60 43.012 20.896 37.454 443 HE1 HIS 60 HE1 HIS 60 46.448 19.708 39.600 444 HE2 HIS 60 HE2 HIS 60 45.618 20.725 37.427 445 H HIS 61 HN HIS 61 40.115 19.475 41.300 446 HA HIS 61 HA HIS 61 37.273 19.111 40.639 447 HB2 HIS 61 HB2 HIS 61 38.388 16.880 40.534 448 HB3 HIS 61 HB1 HIS 61 38.879 17.088 42.216 449 HD2 HIS 61 HD2 HIS 61 35.265 17.784 40.682 450 HE1 HIS 61 HE1 HIS 61 34.919 15.046 43.878 451 HE2 HIS 61 HE2 HIS 61 33.621 16.396 42.162 452 H HIS 62 HN HIS 62 39.488 18.671 43.410 453 HA HIS 62 HA HIS 62 37.572 19.750 45.261 454 HB2 HIS 62 HB2 HIS 62 39.036 18.122 46.158 455 HB3 HIS 62 HB1 HIS 62 40.460 18.915 45.487 456 HD2 HIS 62 HD2 HIS 62 41.767 20.142 47.578 457 HE1 HIS 62 HE1 HIS 62 38.382 21.475 49.721 458 HE2 HIS 62 HE2 HIS 62 40.921 21.461 49.668 459 H HIS 63 HN HIS 63 40.907 20.835 45.271 460 HA HIS 63 HA HIS 63 40.486 23.430 44.220 461 HB2 HIS 63 HB2 HIS 63 39.104 23.843 46.146 462 HB3 HIS 63 HB1 HIS 63 40.316 23.155 47.228 463 HD2 HIS 63 HD2 HIS 63 40.072 26.324 44.822 464 HE1 HIS 63 HE1 HIS 63 42.849 27.123 47.900 465 HE2 HIS 63 HE2 HIS 63 41.660 28.105 45.883 466 H HIS 64 HN HIS 64 42.479 22.264 43.389 467 HA HIS 64 HA HIS 64 44.768 21.713 44.795 468 HB2 HIS 64 HB2 HIS 64 44.641 21.341 42.405 469 HB3 HIS 64 HB1 HIS 64 44.520 23.075 42.103 470 HD2 HIS 64 HD2 HIS 64 46.985 24.180 41.563 471 HE1 HIS 64 HE1 HIS 64 49.383 21.345 43.573 472 HE2 HIS 64 HE2 HIS 64 49.422 23.447 42.148 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 76.974 7.826 0.001 2 H2 MET 1 HT2 MET 1 78.501 8.461 0.387 3 H3 MET 1 HT3 MET 1 77.101 9.384 0.657 4 HA MET 1 HA MET 1 78.340 7.951 2.545 5 HB2 MET 1 HB2 MET 1 75.450 8.762 2.198 6 HB3 MET 1 HB1 MET 1 76.045 8.057 3.701 7 HG2 MET 1 HG2 MET 1 77.735 10.224 2.643 8 HG3 MET 1 HG1 MET 1 76.113 10.738 3.109 9 HE1 MET 1 HE1 MET 1 76.342 11.323 6.651 10 HE2 MET 1 HE2 MET 1 75.193 10.878 5.391 11 HE3 MET 1 HE3 MET 1 76.402 12.120 5.072 12 H GLU 2 HN GLU 2 77.611 6.075 3.834 13 HA GLU 2 HA GLU 2 76.080 4.041 2.400 14 HB2 GLU 2 HB2 GLU 2 78.634 3.949 1.823 15 HB3 GLU 2 HB1 GLU 2 78.781 3.246 3.434 16 HG2 GLU 2 HG2 GLU 2 76.906 1.642 2.736 17 HG3 GLU 2 HG1 GLU 2 77.187 2.204 1.089 18 H GLU 3 HN GLU 3 75.416 5.457 4.712 19 HA GLU 3 HA GLU 3 76.124 4.316 7.152 20 HB2 GLU 3 HB2 GLU 3 73.705 5.749 6.137 21 HB3 GLU 3 HB1 GLU 3 73.622 4.964 7.714 22 HG2 GLU 3 HG2 GLU 3 75.566 6.210 8.488 23 HG3 GLU 3 HG1 GLU 3 75.783 6.922 6.890 24 H GLY 4 HN GLY 4 76.185 2.172 7.484 25 HA2 GLY 4 HA2 GLY 4 73.975 0.498 6.493 26 HA3 GLY 4 HA1 GLY 4 75.546 -0.085 7.035 27 H GLY 5 HN GLY 5 74.193 2.336 9.015 28 HA2 GLY 5 HA2 GLY 5 74.115 0.747 11.326 29 HA3 GLY 5 HA1 GLY 5 73.336 2.316 11.150 30 H ASP 6 HN ASP 6 71.176 2.394 10.277 31 HA ASP 6 HA ASP 6 69.508 0.314 11.278 32 HB2 ASP 6 HB2 ASP 6 68.938 2.787 11.127 33 HB3 ASP 6 HB1 ASP 6 68.670 2.525 9.405 34 H PHE 7 HN PHE 7 71.303 -0.754 9.383 35 HA PHE 7 HA PHE 7 71.359 -2.152 7.561 36 HB2 PHE 7 HB2 PHE 7 68.379 -2.283 7.486 37 HB3 PHE 7 HB1 PHE 7 69.566 -3.580 7.346 38 HD1 PHE 7 HD2 PHE 7 71.277 -3.152 9.688 39 HD2 PHE 7 HD1 PHE 7 67.008 -2.855 9.312 40 HE1 PHE 7 HE2 PHE 7 71.029 -3.644 12.107 41 HE2 PHE 7 HE1 PHE 7 66.761 -3.346 11.730 42 HZ PHE 7 HZ PHE 7 68.771 -3.741 13.128 43 H ASP 8 HN ASP 8 71.056 0.770 7.186 44 HA ASP 8 HA ASP 8 70.510 2.317 5.552 45 HB2 ASP 8 HB2 ASP 8 72.358 0.758 4.617 46 HB3 ASP 8 HB1 ASP 8 71.074 0.092 3.609 47 H ASN 9 HN ASN 9 68.282 2.571 5.882 48 HA ASN 9 HA ASN 9 66.305 0.826 4.838 49 HB2 ASN 9 HB2 ASN 9 64.857 2.972 5.067 50 HB3 ASN 9 HB1 ASN 9 65.533 2.247 6.526 51 HD21 ASN 9 HD21 ASN 9 65.100 5.206 5.110 52 HD22 ASN 9 HD22 ASN 9 66.434 6.030 5.759 53 H TYR 10 HN TYR 10 67.420 4.020 3.683 54 HA TYR 10 HA TYR 10 65.946 4.097 1.317 55 HB2 TYR 10 HB2 TYR 10 68.622 5.286 2.051 56 HB3 TYR 10 HB1 TYR 10 67.836 5.604 0.504 57 HD1 TYR 10 HD2 TYR 10 65.687 6.810 0.401 58 HD2 TYR 10 HD1 TYR 10 67.734 6.181 4.124 59 HE1 TYR 10 HE2 TYR 10 64.258 8.527 1.476 60 HE2 TYR 10 HE1 TYR 10 66.305 7.899 5.199 61 HH TYR 10 HH TYR 10 64.148 8.958 4.876 62 H TYR 11 HN TYR 11 69.346 3.074 1.724 63 HA TYR 11 HA TYR 11 70.718 1.854 0.319 64 HB2 TYR 11 HB2 TYR 11 69.478 0.056 1.373 65 HB3 TYR 11 HB1 TYR 11 68.154 0.248 0.222 66 HD1 TYR 11 HD1 TYR 11 71.864 -0.315 0.283 67 HD2 TYR 11 HD2 TYR 11 68.129 -1.096 -1.691 68 HE1 TYR 11 HE1 TYR 11 73.016 -1.846 -1.292 69 HE2 TYR 11 HE2 TYR 11 69.280 -2.625 -3.266 70 HH TYR 11 HH TYR 11 72.795 -3.202 -3.028 71 H GLY 12 HN GLY 12 68.021 0.707 -1.527 72 HA2 GLY 12 HA2 GLY 12 69.129 1.466 -4.005 73 HA3 GLY 12 HA1 GLY 12 67.473 0.924 -3.751 74 H ALA 13 HN ALA 13 66.109 2.683 -2.530 75 HA ALA 13 HA ALA 13 65.190 4.798 -2.501 76 HB1 ALA 13 HB1 ALA 13 67.804 5.347 -2.269 77 HB2 ALA 13 HB2 ALA 13 66.589 6.610 -2.468 78 HB3 ALA 13 HB3 ALA 13 67.518 6.053 -3.860 79 H ASP 14 HN ASP 14 67.086 4.071 -5.419 80 HA ASP 14 HA ASP 14 65.649 5.647 -7.234 81 HB2 ASP 14 HB2 ASP 14 66.811 2.954 -7.928 82 HB3 ASP 14 HB1 ASP 14 66.688 4.389 -8.944 83 H ASN 15 HN ASN 15 64.502 3.160 -5.364 84 HA ASN 15 HA ASN 15 62.697 1.960 -7.278 85 HB2 ASN 15 HB2 ASN 15 63.605 1.382 -4.639 86 HB3 ASN 15 HB1 ASN 15 61.846 1.499 -4.597 87 HD21 ASN 15 HD21 ASN 15 64.082 0.291 -7.161 88 HD22 ASN 15 HD22 ASN 15 63.342 -1.232 -7.284 89 H GLN 16 HN GLN 16 62.773 4.938 -5.946 90 HA GLN 16 HA GLN 16 59.852 5.224 -6.168 91 HB2 GLN 16 HB2 GLN 16 61.451 6.539 -3.966 92 HB3 GLN 16 HB1 GLN 16 59.699 6.535 -4.169 93 HG2 GLN 16 HG2 GLN 16 59.712 4.055 -3.901 94 HG3 GLN 16 HG1 GLN 16 61.444 4.127 -3.583 95 HE21 GLN 16 HE21 GLN 16 61.403 3.530 -1.352 96 HE22 GLN 16 HE22 GLN 16 60.624 4.458 -0.163 97 H SER 17 HN SER 17 61.753 5.839 -8.124 98 HA SER 17 HA SER 17 62.064 8.763 -7.981 99 HB2 SER 17 HB2 SER 17 63.159 6.890 -10.083 100 HB3 SER 17 HB1 SER 17 63.641 8.555 -9.772 101 HG SER 17 HG SER 17 65.121 7.390 -8.698 102 H GLU 18 HN GLU 18 60.141 9.657 -8.547 103 HA GLU 18 HA GLU 18 58.229 10.096 -9.772 104 HB2 GLU 18 HB2 GLU 18 60.255 10.985 -11.120 105 HB3 GLU 18 HB1 GLU 18 59.949 9.617 -12.192 106 HG2 GLU 18 HG2 GLU 18 57.433 10.559 -11.959 107 HG3 GLU 18 HG1 GLU 18 58.323 12.063 -11.732 108 H CYS 19 HN CYS 19 58.324 7.412 -8.984 109 HA CYS 19 HA CYS 19 57.646 5.793 -11.313 110 HB2 CYS 19 HB2 CYS 19 58.928 5.051 -9.143 111 HB3 CYS 19 HB1 CYS 19 57.302 4.865 -8.485 112 HG CYS 19 HG CYS 19 56.793 3.202 -10.498 113 H GLU 20 HN GLU 20 55.899 7.835 -11.246 114 HA GLU 20 HA GLU 20 53.669 8.388 -11.155 115 HB2 GLU 20 HB2 GLU 20 53.609 5.380 -11.301 116 HB3 GLU 20 HB1 GLU 20 52.120 6.325 -11.231 117 HG2 GLU 20 HG2 GLU 20 54.290 6.952 -13.233 118 HG3 GLU 20 HG1 GLU 20 53.044 5.752 -13.572 119 H TYR 21 HN TYR 21 54.564 8.979 -8.825 120 HA TYR 21 HA TYR 21 52.486 8.104 -6.974 121 HB2 TYR 21 HB2 TYR 21 53.842 7.181 -5.359 122 HB3 TYR 21 HB1 TYR 21 54.722 6.683 -6.803 123 HD1 TYR 21 HD1 TYR 21 56.091 9.042 -7.715 124 HD2 TYR 21 HD2 TYR 21 55.383 7.736 -3.685 125 HE1 TYR 21 HE1 TYR 21 58.077 10.318 -6.953 126 HE2 TYR 21 HE2 TYR 21 57.368 9.012 -2.923 127 HH TYR 21 HH TYR 21 59.712 9.867 -4.483 128 H THR 22 HN THR 22 53.458 10.565 -8.444 129 HA THR 22 HA THR 22 52.987 12.428 -6.320 130 HB THR 22 HB THR 22 55.408 11.878 -5.965 131 HG1 THR 22 HG1 THR 22 55.146 14.503 -6.947 132 HG21 THR 22 HG21 THR 22 57.032 12.347 -7.594 133 HG22 THR 22 HG22 THR 22 55.937 13.371 -8.523 134 HG23 THR 22 HG23 THR 22 55.730 11.620 -8.536 135 H ASP 23 HN ASP 23 54.042 11.798 -9.617 136 HA ASP 23 HA ASP 23 53.741 14.358 -10.709 137 HB2 ASP 23 HB2 ASP 23 53.900 11.612 -11.711 138 HB3 ASP 23 HB1 ASP 23 52.922 12.668 -12.729 139 H TRP 24 HN TRP 24 51.409 12.343 -9.334 140 HA TRP 24 HA TRP 24 49.275 14.108 -10.263 141 HB2 TRP 24 HB2 TRP 24 47.830 12.054 -10.728 142 HB3 TRP 24 HB1 TRP 24 49.061 12.433 -11.931 143 HD1 TRP 24 HD1 TRP 24 51.524 11.109 -11.415 144 HE1 TRP 24 HE1 TRP 24 51.839 8.623 -10.804 145 HE3 TRP 24 HE3 TRP 24 46.836 10.020 -9.710 146 HZ2 TRP 24 HZ2 TRP 24 50.304 6.460 -9.732 147 HZ3 TRP 24 HZ3 TRP 24 46.290 7.742 -8.901 148 HH2 TRP 24 HH2 TRP 24 48.017 5.963 -8.909 149 H LYS 25 HN LYS 25 49.451 10.933 -8.643 150 HA LYS 25 HA LYS 25 48.422 10.223 -6.694 151 HB2 LYS 25 HB2 LYS 25 50.103 12.601 -6.017 152 HB3 LYS 25 HB1 LYS 25 49.089 11.894 -4.756 153 HG2 LYS 25 HG2 LYS 25 50.775 10.077 -6.444 154 HG3 LYS 25 HG1 LYS 25 51.544 10.994 -5.148 155 HD2 LYS 25 HD2 LYS 25 50.391 9.882 -3.483 156 HD3 LYS 25 HD1 LYS 25 49.002 9.551 -4.520 157 HE2 LYS 25 HE2 LYS 25 50.306 7.874 -5.758 158 HE3 LYS 25 HE1 LYS 25 51.717 8.219 -4.757 159 HZ1 LYS 25 HZ1 LYS 25 49.948 7.724 -2.869 160 HZ2 LYS 25 HZ2 LYS 25 50.878 6.496 -3.587 161 HZ3 LYS 25 HZ3 LYS 25 49.279 6.764 -4.096 162 H SER 26 HN SER 26 46.298 10.777 -7.759 163 HA SER 26 HA SER 26 44.653 12.181 -5.897 164 HB2 SER 26 HB2 SER 26 44.115 14.123 -7.020 165 HB3 SER 26 HB1 SER 26 45.809 13.967 -7.477 166 HG SER 26 HG SER 26 45.180 13.083 -9.419 167 H SER 27 HN SER 27 42.774 11.134 -5.899 168 HA SER 27 HA SER 27 42.137 9.234 -7.959 169 HB2 SER 27 HB2 SER 27 40.888 8.337 -6.328 170 HB3 SER 27 HB1 SER 27 41.415 9.643 -5.271 171 HG SER 27 HG SER 27 39.657 10.880 -6.147 172 H GLY 28 HN GLY 28 42.135 12.314 -8.373 173 HA2 GLY 28 HA2 GLY 28 40.808 12.883 -10.490 174 HA3 GLY 28 HA1 GLY 28 39.405 12.570 -9.474 175 H ALA 29 HN ALA 29 41.698 13.807 -7.476 176 HA ALA 29 HA ALA 29 42.243 15.916 -6.690 177 HB1 ALA 29 HB1 ALA 29 41.939 16.505 -9.267 178 HB2 ALA 29 HB2 ALA 29 42.082 17.765 -8.043 179 HB3 ALA 29 HB3 ALA 29 40.495 17.315 -8.663 180 H LEU 30 HN LEU 30 40.401 14.491 -5.403 181 HA LEU 30 HA LEU 30 38.475 16.540 -4.551 182 HB2 LEU 30 HB2 LEU 30 36.731 14.772 -4.288 183 HB3 LEU 30 HB1 LEU 30 37.147 15.100 -5.966 184 HG LEU 30 HG LEU 30 38.391 12.860 -4.340 185 HD11 LEU 30 HD11 LEU 30 36.141 12.675 -6.361 186 HD12 LEU 30 HD12 LEU 30 35.917 12.595 -4.613 187 HD13 LEU 30 HD13 LEU 30 36.846 11.346 -5.440 188 HD21 LEU 30 HD21 LEU 30 38.468 12.166 -7.004 189 HD22 LEU 30 HD22 LEU 30 39.806 12.897 -6.122 190 HD23 LEU 30 HD23 LEU 30 38.729 13.906 -7.082 191 H ILE 31 HN ILE 31 41.018 15.576 -3.474 192 HA ILE 31 HA ILE 31 40.387 13.919 -1.196 193 HB ILE 31 HB ILE 31 42.880 15.509 -1.143 194 HG12 ILE 31 HG12 ILE 31 42.763 15.166 -3.546 195 HG13 ILE 31 HG11 ILE 31 43.920 14.019 -2.882 196 HG21 ILE 31 HG21 ILE 31 42.294 13.622 0.403 197 HG22 ILE 31 HG22 ILE 31 43.808 13.377 -0.469 198 HG23 ILE 31 HG23 ILE 31 42.347 12.531 -0.982 199 HD11 ILE 31 HD11 ILE 31 41.552 12.610 -2.722 200 HD12 ILE 31 HD12 ILE 31 42.742 12.449 -4.010 201 HD13 ILE 31 HD13 ILE 31 41.355 13.514 -4.222 202 HA PRO 32 HA PRO 32 40.619 18.060 1.090 203 HB2 PRO 32 HB2 PRO 32 40.618 20.383 -0.346 204 HB3 PRO 32 HB1 PRO 32 42.095 19.492 0.062 205 HG2 PRO 32 HG2 PRO 32 40.742 19.779 -2.515 206 HG3 PRO 32 HG1 PRO 32 42.414 19.323 -2.159 207 HD2 PRO 32 HD2 PRO 32 40.228 17.590 -2.861 208 HD3 PRO 32 HD1 PRO 32 41.904 17.134 -2.494 209 H ALA 33 HN ALA 33 38.364 16.797 -0.543 210 HA ALA 33 HA ALA 33 36.310 18.839 0.058 211 HB1 ALA 33 HB1 ALA 33 36.189 16.836 -2.206 212 HB2 ALA 33 HB2 ALA 33 36.667 18.522 -2.405 213 HB3 ALA 33 HB3 ALA 33 35.037 18.126 -1.863 214 H ILE 34 HN ILE 34 37.233 15.454 -0.052 215 HA ILE 34 HA ILE 34 34.793 14.731 1.444 216 HB ILE 34 HB ILE 34 36.791 12.986 -0.016 217 HG12 ILE 34 HG12 ILE 34 33.883 13.559 -0.650 218 HG13 ILE 34 HG11 ILE 34 35.224 14.423 -1.403 219 HG21 ILE 34 HG21 ILE 34 34.273 12.362 1.547 220 HG22 ILE 34 HG22 ILE 34 35.899 11.746 1.840 221 HG23 ILE 34 HG23 ILE 34 35.006 11.231 0.410 222 HD11 ILE 34 HD11 ILE 34 36.121 12.328 -2.289 223 HD12 ILE 34 HD12 ILE 34 34.440 12.508 -2.790 224 HD13 ILE 34 HD13 ILE 34 34.855 11.414 -1.470 225 H TYR 35 HN TYR 35 38.318 14.223 1.415 226 HA TYR 35 HA TYR 35 38.357 13.035 4.029 227 HB2 TYR 35 HB2 TYR 35 40.073 12.670 2.187 228 HB3 TYR 35 HB1 TYR 35 40.696 14.274 2.574 229 HD1 TYR 35 HD2 TYR 35 40.232 10.828 3.807 230 HD2 TYR 35 HD1 TYR 35 41.837 14.716 4.677 231 HE1 TYR 35 HE2 TYR 35 41.511 9.875 5.705 232 HE2 TYR 35 HE1 TYR 35 43.117 13.763 6.576 233 HH TYR 35 HH TYR 35 43.475 10.385 7.038 234 H MET 36 HN MET 36 37.878 16.159 2.988 235 HA MET 36 HA MET 36 39.164 17.370 5.345 236 HB2 MET 36 HB2 MET 36 39.667 18.438 3.203 237 HB3 MET 36 HB1 MET 36 37.945 18.647 2.885 238 HG2 MET 36 HG2 MET 36 37.703 20.158 4.741 239 HG3 MET 36 HG1 MET 36 39.331 19.799 5.318 240 HE1 MET 36 HE1 MET 36 41.283 19.929 4.022 241 HE2 MET 36 HE2 MET 36 41.401 21.581 4.623 242 HE3 MET 36 HE3 MET 36 41.720 21.245 2.923 243 H LEU 37 HN LEU 37 36.120 17.839 3.535 244 HA LEU 37 HA LEU 37 34.693 19.069 5.590 245 HB2 LEU 37 HB2 LEU 37 33.525 17.250 3.475 246 HB3 LEU 37 HB1 LEU 37 32.704 18.557 4.326 247 HG LEU 37 HG LEU 37 35.085 18.886 2.475 248 HD11 LEU 37 HD11 LEU 37 32.246 19.853 2.077 249 HD12 LEU 37 HD12 LEU 37 32.815 18.306 1.447 250 HD13 LEU 37 HD13 LEU 37 33.553 19.809 0.892 251 HD21 LEU 37 HD21 LEU 37 35.277 20.668 3.973 252 HD22 LEU 37 HD22 LEU 37 33.539 20.747 4.258 253 HD23 LEU 37 HD23 LEU 37 34.213 21.360 2.749 254 H VAL 38 HN VAL 38 35.866 15.931 5.490 255 HA VAL 38 HA VAL 38 33.758 14.888 7.266 256 HB VAL 38 HB VAL 38 36.018 13.493 5.816 257 HG11 VAL 38 HG11 VAL 38 34.028 12.586 7.875 258 HG12 VAL 38 HG12 VAL 38 35.736 12.175 7.723 259 HG13 VAL 38 HG13 VAL 38 34.555 11.460 6.623 260 HG21 VAL 38 HG21 VAL 38 33.930 14.350 4.555 261 HG22 VAL 38 HG22 VAL 38 33.040 13.125 5.461 262 HG23 VAL 38 HG23 VAL 38 34.339 12.645 4.369 263 H PHE 39 HN PHE 39 36.879 16.233 7.305 264 HA PHE 39 HA PHE 39 38.006 14.858 9.521 265 HB2 PHE 39 HB2 PHE 39 39.480 16.130 8.145 266 HB3 PHE 39 HB1 PHE 39 38.509 17.590 8.336 267 HD1 PHE 39 HD2 PHE 39 38.553 18.880 10.413 268 HD2 PHE 39 HD1 PHE 39 40.927 15.329 9.947 269 HE1 PHE 39 HE2 PHE 39 39.865 19.493 12.426 270 HE2 PHE 39 HE1 PHE 39 42.239 15.943 11.960 271 HZ PHE 39 HZ PHE 39 41.708 18.024 13.200 272 H LEU 40 HN LEU 40 35.829 17.599 9.222 273 HA LEU 40 HA LEU 40 35.842 17.957 12.145 274 HB2 LEU 40 HB2 LEU 40 34.533 20.030 11.628 275 HB3 LEU 40 HB1 LEU 40 36.145 20.013 10.912 276 HG LEU 40 HG LEU 40 34.208 18.765 9.144 277 HD11 LEU 40 HD11 LEU 40 32.571 20.242 10.135 278 HD12 LEU 40 HD12 LEU 40 33.038 20.928 8.579 279 HD13 LEU 40 HD13 LEU 40 33.690 21.603 10.073 280 HD21 LEU 40 HD21 LEU 40 35.859 21.290 8.829 281 HD22 LEU 40 HD22 LEU 40 35.224 20.270 7.537 282 HD23 LEU 40 HD23 LEU 40 36.500 19.663 8.593 283 H LEU 41 HN LEU 41 34.206 16.258 9.814 284 HA LEU 41 HA LEU 41 31.832 16.036 11.545 285 HB2 LEU 41 HB2 LEU 41 31.893 16.588 8.588 286 HB3 LEU 41 HB1 LEU 41 30.521 15.764 9.329 287 HG LEU 41 HG LEU 41 31.483 18.234 10.683 288 HD11 LEU 41 HD11 LEU 41 30.099 19.622 9.108 289 HD12 LEU 41 HD12 LEU 41 30.006 18.226 8.034 290 HD13 LEU 41 HD13 LEU 41 31.566 18.974 8.375 291 HD21 LEU 41 HD21 LEU 41 29.224 18.405 11.320 292 HD22 LEU 41 HD22 LEU 41 29.479 16.661 11.260 293 HD23 LEU 41 HD23 LEU 41 28.665 17.480 9.927 294 H GLY 42 HN GLY 42 33.665 14.222 11.913 295 HA2 GLY 42 HA2 GLY 42 32.473 11.776 11.115 296 HA3 GLY 42 HA1 GLY 42 33.926 12.065 10.164 297 H THR 43 HN THR 43 35.254 13.525 12.335 298 HA THR 43 HA THR 43 35.759 11.317 14.236 299 HB THR 43 HB THR 43 37.688 12.899 12.573 300 HG1 THR 43 HG1 THR 43 37.485 10.206 13.432 301 HG21 THR 43 HG21 THR 43 38.589 13.407 14.686 302 HG22 THR 43 HG22 THR 43 39.445 11.937 14.221 303 HG23 THR 43 HG23 THR 43 38.106 11.852 15.366 304 H THR 44 HN THR 44 36.163 14.791 13.587 305 HA THR 44 HA THR 44 36.974 15.775 15.986 306 HB THR 44 HB THR 44 34.970 16.808 14.004 307 HG1 THR 44 HG1 THR 44 37.580 17.446 14.871 308 HG21 THR 44 HG21 THR 44 35.635 17.921 16.720 309 HG22 THR 44 HG22 THR 44 34.060 17.778 15.939 310 HG23 THR 44 HG23 THR 44 35.209 18.995 15.388 311 H GLY 45 HN GLY 45 33.785 14.501 15.213 312 HA2 GLY 45 HA2 GLY 45 32.190 15.333 17.254 313 HA3 GLY 45 HA1 GLY 45 32.154 13.681 16.643 314 H ASN 46 HN ASN 46 33.684 12.135 17.611 315 HA ASN 46 HA ASN 46 34.844 12.832 20.182 316 HB2 ASN 46 HB2 ASN 46 32.298 12.208 20.417 317 HB3 ASN 46 HB1 ASN 46 32.895 10.561 20.225 318 HD21 ASN 46 HD21 ASN 46 34.241 13.433 21.958 319 HD22 ASN 46 HD22 ASN 46 34.416 12.628 23.442 320 H GLY 47 HN GLY 47 35.383 11.572 17.405 321 HA2 GLY 47 HA2 GLY 47 36.420 8.950 18.201 322 HA3 GLY 47 HA1 GLY 47 36.363 9.595 16.563 323 H LEU 48 HN LEU 48 37.625 11.261 19.407 324 HA LEU 48 HA LEU 48 40.237 11.442 18.061 325 HB2 LEU 48 HB2 LEU 48 39.079 13.055 20.346 326 HB3 LEU 48 HB1 LEU 48 40.663 13.315 19.615 327 HG LEU 48 HG LEU 48 38.293 13.237 17.798 328 HD11 LEU 48 HD11 LEU 48 38.990 15.523 19.660 329 HD12 LEU 48 HD12 LEU 48 37.443 14.689 19.524 330 HD13 LEU 48 HD13 LEU 48 38.008 15.720 18.209 331 HD21 LEU 48 HD21 LEU 48 40.805 14.938 17.924 332 HD22 LEU 48 HD22 LEU 48 39.645 14.907 16.597 333 HD23 LEU 48 HD23 LEU 48 40.614 13.478 16.954 334 H VAL 49 HN VAL 49 38.817 9.434 20.159 335 HA VAL 49 HA VAL 49 40.975 9.305 22.127 336 HB VAL 49 HB VAL 49 38.387 7.779 21.802 337 HG11 VAL 49 HG11 VAL 49 39.141 7.000 24.204 338 HG12 VAL 49 HG12 VAL 49 40.760 7.333 23.588 339 HG13 VAL 49 HG13 VAL 49 39.736 6.147 22.780 340 HG21 VAL 49 HG21 VAL 49 38.240 10.104 22.655 341 HG22 VAL 49 HG22 VAL 49 39.403 9.703 23.919 342 HG23 VAL 49 HG23 VAL 49 37.817 8.932 23.903 343 H LEU 50 HN LEU 50 39.822 7.650 19.276 344 HA LEU 50 HA LEU 50 41.832 5.528 19.643 345 HB2 LEU 50 HB2 LEU 50 40.574 4.677 17.484 346 HB3 LEU 50 HB1 LEU 50 39.867 4.443 19.083 347 HG LEU 50 HG LEU 50 39.259 7.004 17.679 348 HD11 LEU 50 HD11 LEU 50 38.267 4.280 16.850 349 HD12 LEU 50 HD12 LEU 50 38.833 5.603 15.829 350 HD13 LEU 50 HD13 LEU 50 37.266 5.715 16.631 351 HD21 LEU 50 HD21 LEU 50 37.315 5.184 19.065 352 HD22 LEU 50 HD22 LEU 50 37.341 6.946 19.005 353 HD23 LEU 50 HD23 LEU 50 38.485 6.082 20.031 354 H TRP 51 HN TRP 51 41.984 8.492 18.583 355 HA TRP 51 HA TRP 51 43.238 7.948 15.981 356 HB2 TRP 51 HB2 TRP 51 41.895 9.824 15.732 357 HB3 TRP 51 HB1 TRP 51 42.227 10.408 17.363 358 HD1 TRP 51 HD1 TRP 51 44.684 9.460 14.529 359 HE1 TRP 51 HE1 TRP 51 46.261 11.461 14.135 360 HE3 TRP 51 HE3 TRP 51 42.694 12.817 17.823 361 HZ2 TRP 51 HZ2 TRP 51 46.631 14.131 15.089 362 HZ3 TRP 51 HZ3 TRP 51 43.678 15.080 18.061 363 HH2 TRP 51 HH2 TRP 51 45.641 15.740 16.699 364 H THR 52 HN THR 52 44.123 10.374 18.403 365 HA THR 52 HA THR 52 46.856 10.303 17.957 366 HB THR 52 HB THR 52 45.746 12.050 19.286 367 HG1 THR 52 HG1 THR 52 47.633 10.662 20.872 368 HG21 THR 52 HG21 THR 52 45.725 10.515 21.782 369 HG22 THR 52 HG22 THR 52 44.560 9.923 20.597 370 HG23 THR 52 HG23 THR 52 44.505 11.605 21.123 371 H VAL 53 HN VAL 53 44.858 8.194 19.905 372 HA VAL 53 HA VAL 53 46.988 6.934 21.334 373 HB VAL 53 HB VAL 53 44.111 6.223 20.795 374 HG11 VAL 53 HG11 VAL 53 44.624 4.375 22.554 375 HG12 VAL 53 HG12 VAL 53 46.299 4.558 22.032 376 HG13 VAL 53 HG13 VAL 53 45.062 4.069 20.874 377 HG21 VAL 53 HG21 VAL 53 45.415 6.510 23.480 378 HG22 VAL 53 HG22 VAL 53 43.765 6.897 22.992 379 HG23 VAL 53 HG23 VAL 53 45.091 7.968 22.540 380 H PHE 54 HN PHE 54 45.667 6.603 18.159 381 HA PHE 54 HA PHE 54 46.423 3.928 17.612 382 HB2 PHE 54 HB2 PHE 54 44.936 5.646 16.262 383 HB3 PHE 54 HB1 PHE 54 46.467 6.012 15.468 384 HD1 PHE 54 HD1 PHE 54 43.964 3.376 16.141 385 HD2 PHE 54 HD2 PHE 54 47.576 4.392 14.050 386 HE1 PHE 54 HE1 PHE 54 43.744 1.325 14.766 387 HE2 PHE 54 HE2 PHE 54 47.356 2.341 12.674 388 HZ PHE 54 HZ PHE 54 45.440 0.807 13.032 389 H ARG 55 HN ARG 55 48.190 6.927 17.708 390 HA ARG 55 HA ARG 55 50.430 6.148 16.152 391 HB2 ARG 55 HB2 ARG 55 49.954 8.238 18.261 392 HB3 ARG 55 HB1 ARG 55 51.581 7.950 17.644 393 HG2 ARG 55 HG2 ARG 55 50.503 9.727 16.348 394 HG3 ARG 55 HG1 ARG 55 50.746 8.309 15.329 395 HD2 ARG 55 HD2 ARG 55 48.467 7.714 15.406 396 HD3 ARG 55 HD1 ARG 55 48.161 8.710 16.826 397 HE ARG 55 HE ARG 55 48.045 9.572 14.105 398 HH11 ARG 55 HH21 ARG 55 48.943 10.516 17.310 399 HH12 ARG 55 HH22 ARG 55 48.686 12.207 17.032 400 HH21 ARG 55 HH11 ARG 55 47.707 11.786 13.732 401 HH22 ARG 55 HH12 ARG 55 47.986 12.926 15.006 402 H LYS 56 HN LYS 56 49.566 5.699 19.531 403 HA LYS 56 HA LYS 56 52.157 4.418 20.065 404 HB2 LYS 56 HB2 LYS 56 49.999 4.751 22.121 405 HB3 LYS 56 HB1 LYS 56 51.751 4.750 22.330 406 HG2 LYS 56 HG2 LYS 56 51.846 6.915 21.066 407 HG3 LYS 56 HG1 LYS 56 50.082 6.933 21.049 408 HD2 LYS 56 HD2 LYS 56 49.997 7.003 23.469 409 HD3 LYS 56 HD1 LYS 56 51.743 6.778 23.579 410 HE2 LYS 56 HE2 LYS 56 50.808 9.192 23.806 411 HE3 LYS 56 HE1 LYS 56 52.198 8.936 22.751 412 HZ1 LYS 56 HZ1 LYS 56 50.483 10.286 21.692 413 HZ2 LYS 56 HZ2 LYS 56 49.366 9.018 21.862 414 HZ3 LYS 56 HZ3 LYS 56 50.724 8.828 20.860 415 H LYS 57 HN LYS 57 50.074 3.209 18.353 416 HA LYS 57 HA LYS 57 48.523 1.259 19.510 417 HB2 LYS 57 HB2 LYS 57 48.715 1.748 17.054 418 HB3 LYS 57 HB1 LYS 57 50.219 0.824 17.046 419 HG2 LYS 57 HG2 LYS 57 49.020 -1.159 17.880 420 HG3 LYS 57 HG1 LYS 57 47.514 -0.240 17.912 421 HD2 LYS 57 HD2 LYS 57 48.510 0.168 15.334 422 HD3 LYS 57 HD1 LYS 57 48.832 -1.536 15.660 423 HE2 LYS 57 HE2 LYS 57 46.595 -1.275 14.682 424 HE3 LYS 57 HE1 LYS 57 46.468 -1.837 16.348 425 HZ1 LYS 57 HZ1 LYS 57 44.923 -0.030 15.882 426 HZ2 LYS 57 HZ2 LYS 57 46.218 0.988 15.462 427 HZ3 LYS 57 HZ3 LYS 57 46.059 0.425 17.057 428 H GLY 58 HN GLY 58 51.952 0.926 18.579 429 HA2 GLY 58 HA2 GLY 58 53.206 -0.200 20.562 430 HA3 GLY 58 HA1 GLY 58 52.116 -1.532 20.189 431 H HIS 59 HN HIS 59 52.060 -1.896 17.628 432 HA HIS 59 HA HIS 59 54.736 -1.676 16.466 433 HB2 HIS 59 HB2 HIS 59 54.302 -4.264 15.876 434 HB3 HIS 59 HB1 HIS 59 55.212 -3.750 17.297 435 HD2 HIS 59 HD2 HIS 59 51.274 -3.525 17.230 436 HE1 HIS 59 HE1 HIS 59 52.394 -6.467 20.042 437 HE2 HIS 59 HE2 HIS 59 50.440 -5.153 19.093 438 H HIS 60 HN HIS 60 52.239 -3.984 15.572 439 HA HIS 60 HA HIS 60 50.862 -2.394 13.689 440 HB2 HIS 60 HB2 HIS 60 53.453 -3.168 12.836 441 HB3 HIS 60 HB1 HIS 60 52.296 -4.144 11.932 442 HD2 HIS 60 HD2 HIS 60 51.516 -2.783 9.673 443 HE1 HIS 60 HE1 HIS 60 51.784 1.147 11.191 444 HE2 HIS 60 HE2 HIS 60 51.215 -0.243 9.144 445 H HIS 61 HN HIS 61 50.068 -4.098 11.800 446 HA HIS 61 HA HIS 61 48.487 -5.997 13.255 447 HB2 HIS 61 HB2 HIS 61 47.586 -4.859 11.288 448 HB3 HIS 61 HB1 HIS 61 48.835 -5.584 10.275 449 HD2 HIS 61 HD2 HIS 61 47.505 -8.143 12.793 450 HE1 HIS 61 HE1 HIS 61 45.355 -8.795 9.219 451 HE2 HIS 61 HE2 HIS 61 45.882 -9.741 11.516 452 H HIS 62 HN HIS 62 50.794 -6.445 10.561 453 HA HIS 62 HA HIS 62 51.085 -9.259 11.226 454 HB2 HIS 62 HB2 HIS 62 51.570 -7.582 8.929 455 HB3 HIS 62 HB1 HIS 62 53.008 -8.533 9.304 456 HD2 HIS 62 HD2 HIS 62 50.171 -9.079 7.079 457 HE1 HIS 62 HE1 HIS 62 50.642 -12.865 8.886 458 HE2 HIS 62 HE2 HIS 62 49.560 -11.615 6.959 459 H HIS 63 HN HIS 63 53.640 -9.887 10.810 460 HA HIS 63 HA HIS 63 55.456 -8.183 12.272 461 HB2 HIS 63 HB2 HIS 63 55.893 -10.032 13.995 462 HB3 HIS 63 HB1 HIS 63 54.433 -9.066 14.216 463 HD2 HIS 63 HD2 HIS 63 55.426 -12.756 13.583 464 HE1 HIS 63 HE1 HIS 63 51.222 -12.537 13.252 465 HE2 HIS 63 HE2 HIS 63 53.206 -14.117 13.390 466 H HIS 64 HN HIS 64 55.602 -9.132 9.694 467 HA HIS 64 HA HIS 64 56.792 -11.522 9.113 468 HB2 HIS 64 HB2 HIS 64 58.285 -9.907 7.543 469 HB3 HIS 64 HB1 HIS 64 56.602 -10.306 7.196 470 HD2 HIS 64 HD2 HIS 64 55.619 -7.846 6.347 471 HE1 HIS 64 HE1 HIS 64 57.015 -5.533 9.592 472 HE2 HIS 64 HE2 HIS 64 55.612 -5.491 7.476 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 74.249 43.275 8.192 2 H2 MET 1 HT2 MET 1 72.742 43.756 8.811 3 H3 MET 1 HT3 MET 1 74.075 44.806 8.900 4 HA MET 1 HA MET 1 72.746 43.896 6.406 5 HB2 MET 1 HB2 MET 1 72.574 46.369 8.099 6 HB3 MET 1 HB1 MET 1 72.374 46.506 6.352 7 HG2 MET 1 HG2 MET 1 70.501 45.032 6.349 8 HG3 MET 1 HG1 MET 1 70.830 44.492 7.995 9 HE1 MET 1 HE1 MET 1 68.950 45.406 9.817 10 HE2 MET 1 HE2 MET 1 68.504 44.676 8.278 11 HE3 MET 1 HE3 MET 1 67.649 46.108 8.845 12 H GLU 2 HN GLU 2 74.352 43.593 4.978 13 HA GLU 2 HA GLU 2 76.226 45.781 4.505 14 HB2 GLU 2 HB2 GLU 2 77.151 43.905 6.148 15 HB3 GLU 2 HB1 GLU 2 77.443 43.061 4.626 16 HG2 GLU 2 HG2 GLU 2 78.511 45.292 3.842 17 HG3 GLU 2 HG1 GLU 2 78.564 45.699 5.555 18 H GLU 3 HN GLU 3 74.064 45.010 2.961 19 HA GLU 3 HA GLU 3 74.318 43.120 1.005 20 HB2 GLU 3 HB2 GLU 3 73.036 45.749 1.204 21 HB3 GLU 3 HB1 GLU 3 73.441 45.288 -0.450 22 HG2 GLU 3 HG2 GLU 3 72.263 43.165 -0.185 23 HG3 GLU 3 HG1 GLU 3 71.928 43.535 1.506 24 H GLY 4 HN GLY 4 75.906 42.607 -0.344 25 HA2 GLY 4 HA2 GLY 4 77.123 44.344 -2.164 26 HA3 GLY 4 HA1 GLY 4 78.198 44.213 -0.776 27 H GLY 5 HN GLY 5 76.078 41.740 -2.184 28 HA2 GLY 5 HA2 GLY 5 78.354 39.908 -2.335 29 HA3 GLY 5 HA1 GLY 5 76.656 39.480 -2.520 30 H ASP 6 HN ASP 6 76.159 41.670 -4.424 31 HA ASP 6 HA ASP 6 75.935 41.730 -6.728 32 HB2 ASP 6 HB2 ASP 6 78.248 42.816 -6.003 33 HB3 ASP 6 HB1 ASP 6 78.902 41.467 -6.930 34 H PHE 7 HN PHE 7 75.870 39.046 -5.575 35 HA PHE 7 HA PHE 7 76.125 37.546 -7.999 36 HB2 PHE 7 HB2 PHE 7 78.472 37.479 -7.422 37 HB3 PHE 7 HB1 PHE 7 78.093 37.003 -5.766 38 HD1 PHE 7 HD1 PHE 7 77.680 35.920 -9.323 39 HD2 PHE 7 HD2 PHE 7 77.859 34.730 -5.199 40 HE1 PHE 7 HE1 PHE 7 77.661 33.536 -10.009 41 HE2 PHE 7 HE2 PHE 7 77.840 32.346 -5.886 42 HZ PHE 7 HZ PHE 7 77.741 31.750 -8.291 43 H ASP 8 HN ASP 8 76.733 36.167 -4.831 44 HA ASP 8 HA ASP 8 75.546 34.524 -3.711 45 HB2 ASP 8 HB2 ASP 8 74.551 36.834 -3.075 46 HB3 ASP 8 HB1 ASP 8 73.177 36.341 -4.064 47 H ASN 9 HN ASN 9 75.467 32.796 -5.133 48 HA ASN 9 HA ASN 9 73.638 32.625 -7.314 49 HB2 ASN 9 HB2 ASN 9 74.348 30.332 -7.497 50 HB3 ASN 9 HB1 ASN 9 75.763 31.307 -7.104 51 HD21 ASN 9 HD21 ASN 9 76.439 31.310 -4.750 52 HD22 ASN 9 HD22 ASN 9 76.096 29.942 -3.805 53 H TYR 10 HN TYR 10 72.837 32.963 -4.258 54 HA TYR 10 HA TYR 10 70.907 32.546 -3.078 55 HB2 TYR 10 HB2 TYR 10 69.810 30.833 -5.268 56 HB3 TYR 10 HB1 TYR 10 68.984 32.001 -4.237 57 HD1 TYR 10 HD2 TYR 10 70.584 34.411 -4.465 58 HD2 TYR 10 HD1 TYR 10 69.551 31.541 -7.490 59 HE1 TYR 10 HE2 TYR 10 70.856 36.152 -6.210 60 HE2 TYR 10 HE1 TYR 10 69.824 33.282 -9.235 61 HH TYR 10 HH TYR 10 70.904 36.570 -8.396 62 H TYR 11 HN TYR 11 71.392 29.609 -5.053 63 HA TYR 11 HA TYR 11 71.668 27.408 -4.461 64 HB2 TYR 11 HB2 TYR 11 73.588 27.300 -3.314 65 HB3 TYR 11 HB1 TYR 11 73.356 28.948 -2.729 66 HD1 TYR 11 HD1 TYR 11 72.339 25.406 -2.094 67 HD2 TYR 11 HD2 TYR 11 72.811 29.356 -0.472 68 HE1 TYR 11 HE1 TYR 11 71.848 24.533 0.174 69 HE2 TYR 11 HE2 TYR 11 72.319 28.483 1.797 70 HH TYR 11 HH TYR 11 70.926 26.310 2.667 71 H GLY 12 HN GLY 12 70.659 25.737 -3.306 72 HA2 GLY 12 HA2 GLY 12 68.744 24.852 -2.339 73 HA3 GLY 12 HA1 GLY 12 69.349 25.717 -0.929 74 H ALA 13 HN ALA 13 68.326 27.349 -3.851 75 HA ALA 13 HA ALA 13 66.486 29.003 -2.412 76 HB1 ALA 13 HB1 ALA 13 66.385 28.816 -5.387 77 HB2 ALA 13 HB2 ALA 13 67.868 29.416 -4.646 78 HB3 ALA 13 HB3 ALA 13 66.338 30.240 -4.346 79 H ASP 14 HN ASP 14 66.251 25.970 -4.009 80 HA ASP 14 HA ASP 14 63.603 25.935 -4.885 81 HB2 ASP 14 HB2 ASP 14 63.748 23.567 -4.832 82 HB3 ASP 14 HB1 ASP 14 65.385 24.130 -5.165 83 H ASN 15 HN ASN 15 64.888 25.995 -1.678 84 HA ASN 15 HA ASN 15 62.962 24.781 -0.131 85 HB2 ASN 15 HB2 ASN 15 65.114 26.161 0.505 86 HB3 ASN 15 HB1 ASN 15 63.960 27.481 0.690 87 HD21 ASN 15 HD21 ASN 15 65.471 26.074 2.853 88 HD22 ASN 15 HD22 ASN 15 64.292 25.429 3.889 89 H GLN 16 HN GLN 16 62.868 28.045 -1.534 90 HA GLN 16 HA GLN 16 60.106 28.376 -0.599 91 HB2 GLN 16 HB2 GLN 16 61.987 30.315 -1.968 92 HB3 GLN 16 HB1 GLN 16 60.367 30.704 -1.392 93 HG2 GLN 16 HG2 GLN 16 61.990 29.391 0.654 94 HG3 GLN 16 HG1 GLN 16 62.707 30.900 0.094 95 HE21 GLN 16 HE21 GLN 16 60.878 32.740 -0.154 96 HE22 GLN 16 HE22 GLN 16 59.818 32.853 1.167 97 H SER 17 HN SER 17 60.411 26.390 -2.517 98 HA SER 17 HA SER 17 58.795 27.506 -4.681 99 HB2 SER 17 HB2 SER 17 60.316 27.289 -6.319 100 HB3 SER 17 HB1 SER 17 61.530 27.077 -5.060 101 HG SER 17 HG SER 17 60.422 25.257 -6.772 102 H GLU 18 HN GLU 18 57.201 26.148 -5.254 103 HA GLU 18 HA GLU 18 56.457 23.934 -3.824 104 HB2 GLU 18 HB2 GLU 18 55.959 24.375 -6.779 105 HB3 GLU 18 HB1 GLU 18 55.022 23.327 -5.714 106 HG2 GLU 18 HG2 GLU 18 53.722 25.110 -5.263 107 HG3 GLU 18 HG1 GLU 18 55.093 25.788 -4.386 108 H CYS 19 HN CYS 19 57.942 22.382 -3.350 109 HA CYS 19 HA CYS 19 59.433 21.127 -5.551 110 HB2 CYS 19 HB2 CYS 19 60.741 21.794 -3.594 111 HB3 CYS 19 HB1 CYS 19 59.700 20.828 -2.550 112 HG CYS 19 HG CYS 19 60.543 18.701 -4.006 113 H GLU 20 HN GLU 20 56.557 20.738 -3.934 114 HA GLU 20 HA GLU 20 56.372 17.945 -4.799 115 HB2 GLU 20 HB2 GLU 20 55.365 18.700 -2.066 116 HB3 GLU 20 HB1 GLU 20 55.659 17.093 -2.730 117 HG2 GLU 20 HG2 GLU 20 58.100 17.620 -2.813 118 HG3 GLU 20 HG1 GLU 20 57.761 19.160 -2.026 119 H TYR 21 HN TYR 21 54.588 20.551 -3.134 120 HA TYR 21 HA TYR 21 52.030 19.738 -4.048 121 HB2 TYR 21 HB2 TYR 21 52.973 22.472 -3.150 122 HB3 TYR 21 HB1 TYR 21 51.291 21.964 -3.306 123 HD1 TYR 21 HD2 TYR 21 50.517 19.927 -1.941 124 HD2 TYR 21 HD1 TYR 21 54.188 22.023 -1.177 125 HE1 TYR 21 HE2 TYR 21 50.600 18.951 0.337 126 HE2 TYR 21 HE1 TYR 21 54.271 21.047 1.101 127 HH TYR 21 HH TYR 21 52.049 18.538 2.107 128 H THR 22 HN THR 22 52.891 19.351 -6.333 129 HA THR 22 HA THR 22 51.789 21.310 -8.064 130 HB THR 22 HB THR 22 53.837 22.546 -7.613 131 HG1 THR 22 HG1 THR 22 54.766 21.958 -9.933 132 HG21 THR 22 HG21 THR 22 56.022 21.606 -7.950 133 HG22 THR 22 HG22 THR 22 55.344 20.130 -8.636 134 HG23 THR 22 HG23 THR 22 55.133 20.483 -6.921 135 H ASP 23 HN ASP 23 53.976 18.572 -7.666 136 HA ASP 23 HA ASP 23 53.720 17.621 -10.354 137 HB2 ASP 23 HB2 ASP 23 55.232 16.947 -8.049 138 HB3 ASP 23 HB1 ASP 23 54.352 15.501 -8.539 139 H TRP 24 HN TRP 24 51.609 17.664 -7.736 140 HA TRP 24 HA TRP 24 49.875 15.695 -9.058 141 HB2 TRP 24 HB2 TRP 24 49.331 14.594 -6.975 142 HB3 TRP 24 HB1 TRP 24 51.081 14.548 -7.189 143 HD1 TRP 24 HD1 TRP 24 52.270 16.956 -6.060 144 HE1 TRP 24 HE1 TRP 24 51.884 17.810 -3.659 145 HE3 TRP 24 HE3 TRP 24 47.875 14.592 -4.977 146 HZ2 TRP 24 HZ2 TRP 24 49.964 17.529 -1.557 147 HZ3 TRP 24 HZ3 TRP 24 46.791 14.902 -2.771 148 HH2 TRP 24 HH2 TRP 24 47.830 16.367 -1.061 149 H LYS 25 HN LYS 25 50.080 17.984 -6.328 150 HA LYS 25 HA LYS 25 48.461 19.327 -5.391 151 HB2 LYS 25 HB2 LYS 25 49.388 20.639 -7.279 152 HB3 LYS 25 HB1 LYS 25 48.122 19.997 -8.326 153 HG2 LYS 25 HG2 LYS 25 46.522 21.341 -7.432 154 HG3 LYS 25 HG1 LYS 25 47.152 21.170 -5.795 155 HD2 LYS 25 HD2 LYS 25 48.639 22.779 -7.866 156 HD3 LYS 25 HD1 LYS 25 47.337 23.498 -6.918 157 HE2 LYS 25 HE2 LYS 25 48.571 23.524 -5.003 158 HE3 LYS 25 HE1 LYS 25 49.313 21.960 -5.345 159 HZ1 LYS 25 HZ1 LYS 25 50.076 24.117 -7.122 160 HZ2 LYS 25 HZ2 LYS 25 51.029 22.907 -6.406 161 HZ3 LYS 25 HZ3 LYS 25 50.600 24.290 -5.518 162 H SER 26 HN SER 26 47.394 16.854 -5.449 163 HA SER 26 HA SER 26 45.301 15.920 -5.117 164 HB2 SER 26 HB2 SER 26 43.421 17.235 -5.133 165 HB3 SER 26 HB1 SER 26 44.638 18.508 -5.085 166 HG SER 26 HG SER 26 43.384 17.430 -7.398 167 H SER 27 HN SER 27 44.795 14.207 -6.311 168 HA SER 27 HA SER 27 45.197 14.283 -9.190 169 HB2 SER 27 HB2 SER 27 44.530 11.806 -8.933 170 HB3 SER 27 HB1 SER 27 46.053 12.324 -8.213 171 HG SER 27 HG SER 27 44.225 11.085 -6.969 172 H GLY 28 HN GLY 28 43.184 15.963 -8.741 173 HA2 GLY 28 HA2 GLY 28 41.170 15.578 -10.361 174 HA3 GLY 28 HA1 GLY 28 40.657 14.501 -9.067 175 H ALA 29 HN ALA 29 42.087 16.511 -7.193 176 HA ALA 29 HA ALA 29 41.545 18.379 -5.957 177 HB1 ALA 29 HB1 ALA 29 41.120 19.251 -8.442 178 HB2 ALA 29 HB2 ALA 29 40.664 20.207 -7.032 179 HB3 ALA 29 HB3 ALA 29 39.447 19.256 -7.883 180 H LEU 30 HN LEU 30 40.307 15.916 -5.460 181 HA LEU 30 HA LEU 30 37.711 16.827 -4.386 182 HB2 LEU 30 HB2 LEU 30 36.705 14.684 -4.911 183 HB3 LEU 30 HB1 LEU 30 37.358 15.388 -6.391 184 HG LEU 30 HG LEU 30 39.512 13.975 -5.385 185 HD11 LEU 30 HD11 LEU 30 38.099 12.893 -3.699 186 HD12 LEU 30 HD12 LEU 30 38.615 11.716 -4.905 187 HD13 LEU 30 HD13 LEU 30 36.977 12.367 -4.954 188 HD21 LEU 30 HD21 LEU 30 38.771 14.083 -7.734 189 HD22 LEU 30 HD22 LEU 30 37.391 13.053 -7.350 190 HD23 LEU 30 HD23 LEU 30 39.029 12.409 -7.239 191 H ILE 31 HN ILE 31 40.739 15.704 -3.740 192 HA ILE 31 HA ILE 31 40.184 13.809 -1.668 193 HB ILE 31 HB ILE 31 42.727 15.322 -1.560 194 HG12 ILE 31 HG12 ILE 31 41.757 13.824 -3.995 195 HG13 ILE 31 HG11 ILE 31 42.612 15.366 -3.918 196 HG21 ILE 31 HG21 ILE 31 43.610 13.197 -1.075 197 HG22 ILE 31 HG22 ILE 31 42.299 12.361 -1.908 198 HG23 ILE 31 HG23 ILE 31 42.003 13.136 -0.352 199 HD11 ILE 31 HD11 ILE 31 44.547 13.983 -2.866 200 HD12 ILE 31 HD12 ILE 31 44.285 13.866 -4.607 201 HD13 ILE 31 HD13 ILE 31 43.706 12.586 -3.540 202 HA PRO 32 HA PRO 32 40.675 17.532 1.219 203 HB2 PRO 32 HB2 PRO 32 40.671 20.052 0.177 204 HB3 PRO 32 HB1 PRO 32 42.138 19.068 0.322 205 HG2 PRO 32 HG2 PRO 32 40.603 19.796 -2.065 206 HG3 PRO 32 HG1 PRO 32 42.287 19.275 -1.917 207 HD2 PRO 32 HD2 PRO 32 40.026 17.696 -2.725 208 HD3 PRO 32 HD1 PRO 32 41.711 17.166 -2.544 209 H ALA 33 HN ALA 33 38.334 16.899 -0.908 210 HA ALA 33 HA ALA 33 36.368 18.777 0.255 211 HB1 ALA 33 HB1 ALA 33 34.956 18.166 -1.705 212 HB2 ALA 33 HB2 ALA 33 36.283 17.176 -2.315 213 HB3 ALA 33 HB3 ALA 33 36.480 18.924 -2.170 214 H ILE 34 HN ILE 34 37.278 15.449 -0.138 215 HA ILE 34 HA ILE 34 34.809 14.583 1.243 216 HB ILE 34 HB ILE 34 36.736 13.000 -0.472 217 HG12 ILE 34 HG12 ILE 34 33.817 13.504 -1.021 218 HG13 ILE 34 HG11 ILE 34 35.024 14.702 -1.488 219 HG21 ILE 34 HG21 ILE 34 34.613 12.245 1.433 220 HG22 ILE 34 HG22 ILE 34 35.943 11.281 0.791 221 HG23 ILE 34 HG23 ILE 34 34.469 11.490 -0.155 222 HD11 ILE 34 HD11 ILE 34 34.294 12.632 -3.082 223 HD12 ILE 34 HD12 ILE 34 35.648 11.897 -2.226 224 HD13 ILE 34 HD13 ILE 34 35.887 13.385 -3.143 225 H TYR 35 HN TYR 35 38.328 14.427 1.227 226 HA TYR 35 HA TYR 35 38.443 12.719 3.564 227 HB2 TYR 35 HB2 TYR 35 40.171 12.974 1.596 228 HB3 TYR 35 HB1 TYR 35 40.780 14.310 2.575 229 HD1 TYR 35 HD1 TYR 35 39.889 10.684 2.725 230 HD2 TYR 35 HD2 TYR 35 42.146 13.903 4.457 231 HE1 TYR 35 HE1 TYR 35 41.056 9.070 4.203 232 HE2 TYR 35 HE2 TYR 35 43.313 12.289 5.935 233 HH TYR 35 HH TYR 35 43.306 10.170 6.709 234 H MET 36 HN MET 36 38.280 16.100 2.890 235 HA MET 36 HA MET 36 39.307 16.879 5.505 236 HB2 MET 36 HB2 MET 36 39.731 18.213 3.402 237 HB3 MET 36 HB1 MET 36 38.017 18.633 3.407 238 HG2 MET 36 HG2 MET 36 38.576 20.349 4.762 239 HG3 MET 36 HG1 MET 36 38.820 19.138 6.021 240 HE1 MET 36 HE1 MET 36 40.268 20.482 2.840 241 HE2 MET 36 HE2 MET 36 41.927 20.951 3.200 242 HE3 MET 36 HE3 MET 36 40.591 21.893 3.857 243 H LEU 37 HN LEU 37 36.257 17.339 3.697 244 HA LEU 37 HA LEU 37 34.743 18.337 5.828 245 HB2 LEU 37 HB2 LEU 37 33.696 16.616 3.573 246 HB3 LEU 37 HB1 LEU 37 32.803 17.820 4.504 247 HG LEU 37 HG LEU 37 35.170 18.389 2.694 248 HD11 LEU 37 HD11 LEU 37 32.734 17.808 1.798 249 HD12 LEU 37 HD12 LEU 37 33.669 19.125 1.090 250 HD13 LEU 37 HD13 LEU 37 32.411 19.474 2.276 251 HD21 LEU 37 HD21 LEU 37 34.195 20.797 3.147 252 HD22 LEU 37 HD22 LEU 37 35.284 20.060 4.323 253 HD23 LEU 37 HD23 LEU 37 33.543 20.046 4.602 254 H VAL 38 HN VAL 38 35.948 15.188 5.277 255 HA VAL 38 HA VAL 38 33.993 13.976 7.114 256 HB VAL 38 HB VAL 38 36.117 12.711 5.368 257 HG11 VAL 38 HG11 VAL 38 34.524 10.674 6.027 258 HG12 VAL 38 HG12 VAL 38 34.262 11.663 7.464 259 HG13 VAL 38 HG13 VAL 38 35.890 11.134 7.043 260 HG21 VAL 38 HG21 VAL 38 34.317 12.053 3.942 261 HG22 VAL 38 HG22 VAL 38 34.047 13.763 4.282 262 HG23 VAL 38 HG23 VAL 38 33.106 12.537 5.130 263 H PHE 39 HN PHE 39 36.792 15.622 7.347 264 HA PHE 39 HA PHE 39 37.970 13.900 9.425 265 HB2 PHE 39 HB2 PHE 39 39.489 14.760 7.679 266 HB3 PHE 39 HB1 PHE 39 39.060 16.411 8.127 267 HD1 PHE 39 HD2 PHE 39 40.193 13.228 9.769 268 HD2 PHE 39 HD1 PHE 39 40.460 17.514 9.635 269 HE1 PHE 39 HE2 PHE 39 41.901 13.178 11.566 270 HE2 PHE 39 HE1 PHE 39 42.167 17.463 11.432 271 HZ PHE 39 HZ PHE 39 42.889 15.296 12.398 272 H LEU 40 HN LEU 40 36.058 16.709 8.985 273 HA LEU 40 HA LEU 40 36.611 17.652 11.721 274 HB2 LEU 40 HB2 LEU 40 34.948 18.993 9.581 275 HB3 LEU 40 HB1 LEU 40 35.529 19.706 11.086 276 HG LEU 40 HG LEU 40 37.280 18.703 8.821 277 HD11 LEU 40 HD11 LEU 40 35.912 21.188 9.237 278 HD12 LEU 40 HD12 LEU 40 37.019 20.754 7.935 279 HD13 LEU 40 HD13 LEU 40 37.643 21.465 9.423 280 HD21 LEU 40 HD21 LEU 40 37.820 19.760 11.584 281 HD22 LEU 40 HD22 LEU 40 38.973 20.089 10.291 282 HD23 LEU 40 HD23 LEU 40 38.595 18.424 10.733 283 H LEU 41 HN LEU 41 34.500 15.678 10.039 284 HA LEU 41 HA LEU 41 32.505 15.887 12.200 285 HB2 LEU 41 HB2 LEU 41 32.001 15.911 9.229 286 HB3 LEU 41 HB1 LEU 41 30.772 15.359 10.367 287 HG LEU 41 HG LEU 41 32.084 17.919 11.068 288 HD11 LEU 41 HD11 LEU 41 30.186 17.679 8.712 289 HD12 LEU 41 HD12 LEU 41 31.875 18.181 8.632 290 HD13 LEU 41 HD13 LEU 41 30.692 19.194 9.460 291 HD21 LEU 41 HD21 LEU 41 29.776 18.487 11.684 292 HD22 LEU 41 HD22 LEU 41 30.199 16.903 12.336 293 HD23 LEU 41 HD23 LEU 41 29.189 17.023 10.896 294 H GLY 42 HN GLY 42 34.779 14.037 10.986 295 HA2 GLY 42 HA2 GLY 42 33.251 11.539 10.795 296 HA3 GLY 42 HA1 GLY 42 34.956 11.743 10.410 297 H THR 43 HN THR 43 35.777 13.074 12.754 298 HA THR 43 HA THR 43 35.146 11.188 14.926 299 HB THR 43 HB THR 43 37.208 10.415 13.722 300 HG1 THR 43 HG1 THR 43 37.479 9.737 15.683 301 HG21 THR 43 HG21 THR 43 37.904 12.831 13.201 302 HG22 THR 43 HG22 THR 43 39.182 11.733 13.719 303 HG23 THR 43 HG23 THR 43 38.503 12.894 14.858 304 H THR 44 HN THR 44 36.800 14.172 13.947 305 HA THR 44 HA THR 44 37.284 15.280 16.453 306 HB THR 44 HB THR 44 36.644 16.531 13.785 307 HG1 THR 44 HG1 THR 44 38.807 16.853 13.767 308 HG21 THR 44 HG21 THR 44 37.118 17.831 16.461 309 HG22 THR 44 HG22 THR 44 35.889 18.210 15.255 310 HG23 THR 44 HG23 THR 44 37.573 18.643 14.963 311 H GLY 45 HN GLY 45 34.300 14.646 14.912 312 HA2 GLY 45 HA2 GLY 45 32.638 16.663 15.915 313 HA3 GLY 45 HA1 GLY 45 32.118 15.024 15.535 314 H ASN 46 HN ASN 46 33.577 13.546 17.356 315 HA ASN 46 HA ASN 46 33.237 14.621 20.020 316 HB2 ASN 46 HB2 ASN 46 31.315 12.616 18.870 317 HB3 ASN 46 HB1 ASN 46 31.675 12.630 20.596 318 HD21 ASN 46 HD21 ASN 46 31.901 15.389 21.100 319 HD22 ASN 46 HD22 ASN 46 30.413 16.142 20.783 320 H GLY 47 HN GLY 47 35.033 13.929 20.975 321 HA2 GLY 47 HA2 GLY 47 35.804 11.620 21.918 322 HA3 GLY 47 HA1 GLY 47 36.172 11.324 20.222 323 H LEU 48 HN LEU 48 36.783 14.319 20.012 324 HA LEU 48 HA LEU 48 39.602 14.062 20.728 325 HB2 LEU 48 HB2 LEU 48 38.012 15.964 19.023 326 HB3 LEU 48 HB1 LEU 48 39.655 16.364 19.516 327 HG LEU 48 HG LEU 48 39.481 15.191 17.278 328 HD11 LEU 48 HD11 LEU 48 41.335 14.808 19.357 329 HD12 LEU 48 HD12 LEU 48 41.575 14.446 17.650 330 HD13 LEU 48 HD13 LEU 48 40.995 13.192 18.743 331 HD21 LEU 48 HD21 LEU 48 38.859 12.892 17.179 332 HD22 LEU 48 HD22 LEU 48 37.603 13.675 18.136 333 HD23 LEU 48 HD23 LEU 48 38.866 12.737 18.935 334 H VAL 49 HN VAL 49 36.750 15.894 21.622 335 HA VAL 49 HA VAL 49 38.154 17.809 23.240 336 HB VAL 49 HB VAL 49 35.949 18.300 22.245 337 HG11 VAL 49 HG11 VAL 49 33.968 17.176 22.938 338 HG12 VAL 49 HG12 VAL 49 34.796 16.380 24.276 339 HG13 VAL 49 HG13 VAL 49 35.136 15.896 22.615 340 HG21 VAL 49 HG21 VAL 49 35.458 19.687 23.974 341 HG22 VAL 49 HG22 VAL 49 36.833 18.944 24.789 342 HG23 VAL 49 HG23 VAL 49 35.203 18.344 25.087 343 H LEU 50 HN LEU 50 38.550 14.863 23.714 344 HA LEU 50 HA LEU 50 38.049 14.926 26.621 345 HB2 LEU 50 HB2 LEU 50 37.485 12.660 24.709 346 HB3 LEU 50 HB1 LEU 50 37.678 12.409 26.443 347 HG LEU 50 HG LEU 50 35.871 14.628 25.801 348 HD11 LEU 50 HD11 LEU 50 35.260 11.820 24.847 349 HD12 LEU 50 HD12 LEU 50 35.215 13.310 23.906 350 HD13 LEU 50 HD13 LEU 50 34.007 13.021 25.157 351 HD21 LEU 50 HD21 LEU 50 36.210 13.537 28.039 352 HD22 LEU 50 HD22 LEU 50 35.476 12.072 27.388 353 HD23 LEU 50 HD23 LEU 50 34.526 13.551 27.519 354 H TRP 51 HN TRP 51 39.840 13.425 23.947 355 HA TRP 51 HA TRP 51 41.939 12.519 25.750 356 HB2 TRP 51 HB2 TRP 51 41.738 10.951 24.084 357 HB3 TRP 51 HB1 TRP 51 41.272 12.142 22.870 358 HD1 TRP 51 HD1 TRP 51 44.414 11.193 24.920 359 HE1 TRP 51 HE1 TRP 51 46.486 11.612 23.445 360 HE3 TRP 51 HE3 TRP 51 42.166 13.130 20.767 361 HZ2 TRP 51 HZ2 TRP 51 47.109 12.632 20.848 362 HZ3 TRP 51 HZ3 TRP 51 43.520 13.817 18.807 363 HH2 TRP 51 HH2 TRP 51 45.986 13.569 18.843 364 H THR 52 HN THR 52 42.001 14.406 22.719 365 HA THR 52 HA THR 52 44.500 15.511 22.922 366 HB THR 52 HB THR 52 41.935 16.654 21.823 367 HG1 THR 52 HG1 THR 52 44.269 16.002 20.416 368 HG21 THR 52 HG21 THR 52 43.125 18.628 22.315 369 HG22 THR 52 HG22 THR 52 43.583 18.272 20.650 370 HG23 THR 52 HG23 THR 52 44.684 17.879 21.970 371 H VAL 53 HN VAL 53 41.833 16.063 24.984 372 HA VAL 53 HA VAL 53 42.708 18.662 25.927 373 HB VAL 53 HB VAL 53 40.514 16.752 26.671 374 HG11 VAL 53 HG11 VAL 53 41.656 19.010 28.306 375 HG12 VAL 53 HG12 VAL 53 41.151 17.407 28.839 376 HG13 VAL 53 HG13 VAL 53 39.941 18.613 28.404 377 HG21 VAL 53 HG21 VAL 53 39.141 18.361 25.760 378 HG22 VAL 53 HG22 VAL 53 40.610 18.747 24.864 379 HG23 VAL 53 HG23 VAL 53 40.173 19.689 26.290 380 H PHE 54 HN PHE 54 42.984 15.295 26.894 381 HA PHE 54 HA PHE 54 43.784 15.440 29.509 382 HB2 PHE 54 HB2 PHE 54 43.653 13.418 27.833 383 HB3 PHE 54 HB1 PHE 54 45.378 13.729 27.638 384 HD1 PHE 54 HD2 PHE 54 46.913 13.585 29.584 385 HD2 PHE 54 HD1 PHE 54 42.757 12.540 29.895 386 HE1 PHE 54 HE2 PHE 54 47.365 12.422 31.726 387 HE2 PHE 54 HE1 PHE 54 43.211 11.377 32.037 388 HZ PHE 54 HZ PHE 54 45.515 11.317 32.953 389 H ARG 55 HN ARG 55 45.778 16.053 26.634 390 HA ARG 55 HA ARG 55 48.102 16.705 28.249 391 HB2 ARG 55 HB2 ARG 55 48.689 17.575 25.715 392 HB3 ARG 55 HB1 ARG 55 49.005 15.950 26.316 393 HG2 ARG 55 HG2 ARG 55 46.361 16.722 25.065 394 HG3 ARG 55 HG1 ARG 55 47.711 16.116 24.108 395 HD2 ARG 55 HD2 ARG 55 47.263 14.427 26.427 396 HD3 ARG 55 HD1 ARG 55 45.793 14.586 25.477 397 HE ARG 55 HE ARG 55 46.854 13.497 23.691 398 HH11 ARG 55 HH21 ARG 55 49.027 14.154 26.305 399 HH12 ARG 55 HH22 ARG 55 50.278 13.126 25.698 400 HH21 ARG 55 HH11 ARG 55 48.493 12.151 22.893 401 HH22 ARG 55 HH12 ARG 55 49.979 11.992 23.768 402 H LYS 56 HN LYS 56 45.649 18.402 26.357 403 HA LYS 56 HA LYS 56 46.798 20.981 26.491 404 HB2 LYS 56 HB2 LYS 56 44.684 19.957 25.179 405 HB3 LYS 56 HB1 LYS 56 43.840 20.744 26.512 406 HG2 LYS 56 HG2 LYS 56 43.982 22.470 24.940 407 HG3 LYS 56 HG1 LYS 56 45.391 22.778 25.956 408 HD2 LYS 56 HD2 LYS 56 46.476 22.814 23.941 409 HD3 LYS 56 HD1 LYS 56 46.485 21.065 24.168 410 HE2 LYS 56 HE2 LYS 56 44.582 22.715 22.499 411 HE3 LYS 56 HE1 LYS 56 45.626 21.393 21.975 412 HZ1 LYS 56 HZ1 LYS 56 43.176 20.883 22.319 413 HZ2 LYS 56 HZ2 LYS 56 43.497 20.984 23.984 414 HZ3 LYS 56 HZ3 LYS 56 44.291 19.822 23.031 415 H LYS 57 HN LYS 57 45.975 19.089 29.001 416 HA LYS 57 HA LYS 57 44.354 20.378 30.758 417 HB2 LYS 57 HB2 LYS 57 45.944 18.309 31.067 418 HB3 LYS 57 HB1 LYS 57 47.042 19.506 31.754 419 HG2 LYS 57 HG2 LYS 57 45.226 20.236 33.299 420 HG3 LYS 57 HG1 LYS 57 44.202 18.950 32.660 421 HD2 LYS 57 HD2 LYS 57 46.155 17.365 33.281 422 HD3 LYS 57 HD1 LYS 57 46.738 18.702 34.272 423 HE2 LYS 57 HE2 LYS 57 43.974 17.467 34.467 424 HE3 LYS 57 HE1 LYS 57 45.307 17.152 35.578 425 HZ1 LYS 57 HZ1 LYS 57 43.486 19.290 35.596 426 HZ2 LYS 57 HZ2 LYS 57 45.045 19.915 35.336 427 HZ3 LYS 57 HZ3 LYS 57 44.729 18.952 36.699 428 H GLY 58 HN GLY 58 47.485 21.448 29.639 429 HA2 GLY 58 HA2 GLY 58 48.637 23.419 29.929 430 HA3 GLY 58 HA1 GLY 58 47.079 24.138 30.324 431 H HIS 59 HN HIS 59 46.622 24.641 32.411 432 HA HIS 59 HA HIS 59 47.179 25.258 34.571 433 HB2 HIS 59 HB2 HIS 59 47.340 22.288 34.385 434 HB3 HIS 59 HB1 HIS 59 47.902 23.050 35.873 435 HD2 HIS 59 HD2 HIS 59 44.547 22.385 33.987 436 HE1 HIS 59 HE1 HIS 59 43.627 24.479 37.536 437 HE2 HIS 59 HE2 HIS 59 42.640 23.223 35.561 438 H HIS 60 HN HIS 60 49.501 22.656 34.686 439 HA HIS 60 HA HIS 60 51.804 24.263 34.100 440 HB2 HIS 60 HB2 HIS 60 50.858 24.870 36.524 441 HB3 HIS 60 HB1 HIS 60 51.776 23.428 36.958 442 HD2 HIS 60 HD2 HIS 60 52.856 26.561 37.710 443 HE1 HIS 60 HE1 HIS 60 55.864 25.637 34.896 444 HE2 HIS 60 HE2 HIS 60 55.220 27.193 36.797 445 H HIS 61 HN HIS 61 50.324 21.368 35.353 446 HA HIS 61 HA HIS 61 50.975 19.166 35.326 447 HB2 HIS 61 HB2 HIS 61 51.412 19.869 32.894 448 HB3 HIS 61 HB1 HIS 61 53.113 19.956 33.354 449 HD2 HIS 61 HD2 HIS 61 50.430 17.110 34.173 450 HE1 HIS 61 HE1 HIS 61 53.908 15.341 32.562 451 HE2 HIS 61 HE2 HIS 61 51.607 14.870 33.524 452 H HIS 62 HN HIS 62 53.970 18.715 34.502 453 HA HIS 62 HA HIS 62 54.944 18.326 37.136 454 HB2 HIS 62 HB2 HIS 62 57.048 17.717 36.061 455 HB3 HIS 62 HB1 HIS 62 55.698 17.007 35.175 456 HD2 HIS 62 HD2 HIS 62 58.197 20.060 34.744 457 HE1 HIS 62 HE1 HIS 62 56.464 19.172 30.998 458 HE2 HIS 62 HE2 HIS 62 58.187 20.607 32.191 459 H HIS 63 HN HIS 63 56.792 19.332 38.134 460 HA HIS 63 HA HIS 63 57.754 21.870 37.155 461 HB2 HIS 63 HB2 HIS 63 56.903 23.238 38.975 462 HB3 HIS 63 HB1 HIS 63 55.548 22.495 38.124 463 HD2 HIS 63 HD2 HIS 63 55.818 23.220 41.561 464 HE1 HIS 63 HE1 HIS 63 55.034 19.076 41.764 465 HE2 HIS 63 HE2 HIS 63 55.062 21.242 43.090 466 H HIS 64 HN HIS 64 59.275 19.744 37.604 467 HA HIS 64 HA HIS 64 60.233 19.086 40.084 468 HB2 HIS 64 HB2 HIS 64 61.370 19.189 37.370 469 HB3 HIS 64 HB1 HIS 64 62.564 19.248 38.667 470 HD2 HIS 64 HD2 HIS 64 59.521 16.864 37.683 471 HE1 HIS 64 HE1 HIS 64 62.384 14.649 39.856 472 HE2 HIS 64 HE2 HIS 64 60.183 14.510 38.598 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 53.344 -22.121 3.608 2 H2 MET 1 HT2 MET 1 53.459 -21.555 5.205 3 H3 MET 1 HT3 MET 1 54.804 -22.273 4.458 4 HA MET 1 HA MET 1 55.018 -19.856 4.551 5 HB2 MET 1 HB2 MET 1 55.386 -19.552 2.065 6 HB3 MET 1 HB1 MET 1 56.158 -20.983 2.750 7 HG2 MET 1 HG2 MET 1 53.414 -21.507 1.887 8 HG3 MET 1 HG1 MET 1 54.442 -20.958 0.563 9 HE1 MET 1 HE1 MET 1 53.955 -24.911 0.653 10 HE2 MET 1 HE2 MET 1 53.028 -23.417 0.551 11 HE3 MET 1 HE3 MET 1 53.223 -24.220 2.107 12 H GLU 2 HN GLU 2 54.331 -17.920 3.041 13 HA GLU 2 HA GLU 2 52.715 -16.332 2.657 14 HB2 GLU 2 HB2 GLU 2 51.102 -18.744 1.796 15 HB3 GLU 2 HB1 GLU 2 50.786 -17.066 1.354 16 HG2 GLU 2 HG2 GLU 2 53.141 -17.017 0.375 17 HG3 GLU 2 HG1 GLU 2 53.162 -18.768 0.576 18 H GLU 3 HN GLU 3 52.733 -16.308 5.135 19 HA GLU 3 HA GLU 3 50.791 -17.504 6.720 20 HB2 GLU 3 HB2 GLU 3 51.997 -14.738 6.961 21 HB3 GLU 3 HB1 GLU 3 51.084 -15.551 8.233 22 HG2 GLU 3 HG2 GLU 3 52.779 -17.010 8.707 23 HG3 GLU 3 HG1 GLU 3 53.303 -17.109 7.028 24 H GLY 4 HN GLY 4 48.780 -16.719 7.551 25 HA2 GLY 4 HA2 GLY 4 47.376 -14.469 6.756 26 HA3 GLY 4 HA1 GLY 4 47.036 -15.695 5.539 27 H GLY 5 HN GLY 5 46.948 -17.995 7.031 28 HA2 GLY 5 HA2 GLY 5 45.766 -19.159 8.676 29 HA3 GLY 5 HA1 GLY 5 45.163 -17.626 9.297 30 H ASP 6 HN ASP 6 43.491 -16.522 7.994 31 HA ASP 6 HA ASP 6 41.405 -18.330 7.288 32 HB2 ASP 6 HB2 ASP 6 41.275 -15.907 8.254 33 HB3 ASP 6 HB1 ASP 6 41.365 -15.421 6.563 34 H PHE 7 HN PHE 7 43.663 -18.822 5.669 35 HA PHE 7 HA PHE 7 44.336 -19.038 3.474 36 HB2 PHE 7 HB2 PHE 7 41.344 -19.239 3.414 37 HB3 PHE 7 HB1 PHE 7 42.256 -19.290 1.905 38 HD1 PHE 7 HD2 PHE 7 42.071 -20.847 5.300 39 HD2 PHE 7 HD1 PHE 7 43.307 -21.278 1.209 40 HE1 PHE 7 HE2 PHE 7 42.645 -23.223 5.724 41 HE2 PHE 7 HE1 PHE 7 43.881 -23.654 1.632 42 HZ PHE 7 HZ PHE 7 43.550 -24.626 3.890 43 H ASP 8 HN ASP 8 43.581 -16.242 4.591 44 HA ASP 8 HA ASP 8 42.553 -14.543 2.705 45 HB2 ASP 8 HB2 ASP 8 43.646 -14.086 5.051 46 HB3 ASP 8 HB1 ASP 8 45.087 -13.754 4.093 47 H ASN 9 HN ASN 9 43.027 -14.066 0.662 48 HA ASN 9 HA ASN 9 45.802 -14.071 -0.251 49 HB2 ASN 9 HB2 ASN 9 44.850 -16.401 -0.598 50 HB3 ASN 9 HB1 ASN 9 43.727 -15.675 -1.748 51 HD21 ASN 9 HD21 ASN 9 44.499 -15.331 -3.857 52 HD22 ASN 9 HD22 ASN 9 46.124 -15.496 -4.315 53 H TYR 10 HN TYR 10 43.452 -12.201 0.150 54 HA TYR 10 HA TYR 10 42.695 -10.288 -0.877 55 HB2 TYR 10 HB2 TYR 10 44.282 -10.847 -3.345 56 HB3 TYR 10 HB1 TYR 10 44.006 -9.319 -2.510 57 HD1 TYR 10 HD1 TYR 10 44.717 -9.911 0.255 58 HD2 TYR 10 HD2 TYR 10 46.604 -11.193 -3.385 59 HE1 TYR 10 HE1 TYR 10 46.866 -10.180 1.463 60 HE2 TYR 10 HE2 TYR 10 48.753 -11.462 -2.175 61 HH TYR 10 HH TYR 10 49.785 -10.395 -0.004 62 H TYR 11 HN TYR 11 43.269 -12.532 -3.596 63 HA TYR 11 HA TYR 11 41.836 -13.445 -5.142 64 HB2 TYR 11 HB2 TYR 11 40.518 -13.679 -2.720 65 HB3 TYR 11 HB1 TYR 11 39.333 -12.866 -3.743 66 HD1 TYR 11 HD2 TYR 11 41.650 -15.794 -3.628 67 HD2 TYR 11 HD1 TYR 11 38.145 -14.057 -5.402 68 HE1 TYR 11 HE2 TYR 11 41.169 -17.937 -4.778 69 HE2 TYR 11 HE1 TYR 11 37.665 -16.200 -6.553 70 HH TYR 11 HH TYR 11 39.848 -18.587 -6.976 71 H GLY 12 HN GLY 12 40.756 -12.724 -6.935 72 HA2 GLY 12 HA2 GLY 12 40.187 -11.082 -8.472 73 HA3 GLY 12 HA1 GLY 12 38.932 -10.742 -7.283 74 H ALA 13 HN ALA 13 42.431 -10.305 -6.934 75 HA ALA 13 HA ALA 13 42.077 -7.632 -5.934 76 HB1 ALA 13 HB1 ALA 13 44.343 -7.693 -5.411 77 HB2 ALA 13 HB2 ALA 13 44.736 -8.737 -6.777 78 HB3 ALA 13 HB3 ALA 13 43.921 -9.404 -5.362 79 H ASP 14 HN ASP 14 42.650 -9.059 -9.024 80 HA ASP 14 HA ASP 14 43.990 -7.007 -10.369 81 HB2 ASP 14 HB2 ASP 14 43.163 -9.414 -11.127 82 HB3 ASP 14 HB1 ASP 14 41.812 -8.485 -11.775 83 H ASN 15 HN ASN 15 40.749 -7.176 -9.185 84 HA ASN 15 HA ASN 15 39.355 -5.452 -10.839 85 HB2 ASN 15 HB2 ASN 15 39.122 -6.397 -8.100 86 HB3 ASN 15 HB1 ASN 15 38.544 -4.741 -8.271 87 HD21 ASN 15 HD21 ASN 15 36.441 -4.523 -9.059 88 HD22 ASN 15 HD22 ASN 15 35.587 -5.737 -9.883 89 H GLN 16 HN GLN 16 41.746 -4.710 -8.368 90 HA GLN 16 HA GLN 16 41.400 -1.829 -8.868 91 HB2 GLN 16 HB2 GLN 16 43.142 -3.148 -6.779 92 HB3 GLN 16 HB1 GLN 16 42.633 -1.460 -6.846 93 HG2 GLN 16 HG2 GLN 16 40.209 -2.569 -6.856 94 HG3 GLN 16 HG1 GLN 16 41.070 -3.882 -6.056 95 HE21 GLN 16 HE21 GLN 16 43.012 -1.700 -4.959 96 HE22 GLN 16 HE22 GLN 16 42.162 -1.059 -3.637 97 H SER 17 HN SER 17 42.521 -3.332 -10.951 98 HA SER 17 HA SER 17 45.405 -2.752 -10.804 99 HB2 SER 17 HB2 SER 17 44.520 -5.039 -11.537 100 HB3 SER 17 HB1 SER 17 43.984 -4.237 -13.012 101 HG SER 17 HG SER 17 46.201 -5.214 -12.917 102 H GLU 18 HN GLU 18 46.093 -2.354 -13.360 103 HA GLU 18 HA GLU 18 45.491 0.341 -13.837 104 HB2 GLU 18 HB2 GLU 18 46.453 -0.164 -16.156 105 HB3 GLU 18 HB1 GLU 18 47.497 -0.497 -14.774 106 HG2 GLU 18 HG2 GLU 18 45.754 -2.748 -15.508 107 HG3 GLU 18 HG1 GLU 18 46.904 -2.303 -16.766 108 H CYS 19 HN CYS 19 43.128 0.293 -13.655 109 HA CYS 19 HA CYS 19 41.911 -0.001 -16.299 110 HB2 CYS 19 HB2 CYS 19 40.835 -1.361 -13.817 111 HB3 CYS 19 HB1 CYS 19 39.954 -1.204 -15.337 112 HG CYS 19 HG CYS 19 41.445 -2.915 -16.417 113 H GLU 20 HN GLU 20 42.215 2.381 -15.866 114 HA GLU 20 HA GLU 20 41.223 4.426 -15.527 115 HB2 GLU 20 HB2 GLU 20 38.739 3.080 -14.513 116 HB3 GLU 20 HB1 GLU 20 38.897 4.554 -15.470 117 HG2 GLU 20 HG2 GLU 20 40.011 2.809 -17.192 118 HG3 GLU 20 HG1 GLU 20 38.917 1.712 -16.351 119 H TYR 21 HN TYR 21 42.684 3.005 -13.421 120 HA TYR 21 HA TYR 21 41.571 4.448 -11.094 121 HB2 TYR 21 HB2 TYR 21 42.864 1.711 -11.038 122 HB3 TYR 21 HB1 TYR 21 42.291 2.615 -9.637 123 HD1 TYR 21 HD1 TYR 21 39.771 3.518 -9.905 124 HD2 TYR 21 HD2 TYR 21 41.420 0.109 -11.934 125 HE1 TYR 21 HE1 TYR 21 37.487 2.615 -10.245 126 HE2 TYR 21 HE2 TYR 21 39.137 -0.793 -12.273 127 HH TYR 21 HH TYR 21 36.827 -0.479 -10.987 128 H THR 22 HN THR 22 43.436 5.577 -12.775 129 HA THR 22 HA THR 22 45.556 6.174 -10.974 130 HB THR 22 HB THR 22 46.789 4.316 -11.516 131 HG1 THR 22 HG1 THR 22 47.846 5.029 -13.742 132 HG21 THR 22 HG21 THR 22 45.368 3.065 -12.870 133 HG22 THR 22 HG22 THR 22 46.672 3.442 -13.996 134 HG23 THR 22 HG23 THR 22 45.172 4.369 -14.041 135 H ASP 23 HN ASP 23 44.667 6.072 -14.419 136 HA ASP 23 HA ASP 23 46.039 8.514 -15.046 137 HB2 ASP 23 HB2 ASP 23 44.016 6.833 -16.527 138 HB3 ASP 23 HB1 ASP 23 44.674 8.329 -17.188 139 H TRP 24 HN TRP 24 43.724 8.270 -12.963 140 HA TRP 24 HA TRP 24 42.425 10.779 -13.791 141 HB2 TRP 24 HB2 TRP 24 40.261 10.011 -13.423 142 HB3 TRP 24 HB1 TRP 24 41.014 8.602 -14.168 143 HD1 TRP 24 HD1 TRP 24 41.701 6.572 -12.560 144 HE1 TRP 24 HE1 TRP 24 40.815 5.864 -10.244 145 HE3 TRP 24 HE3 TRP 24 39.303 10.864 -11.182 146 HZ2 TRP 24 HZ2 TRP 24 39.290 6.971 -8.094 147 HZ3 TRP 24 HZ3 TRP 24 38.143 11.010 -8.997 148 HH2 TRP 24 HH2 TRP 24 38.133 9.070 -7.453 149 H LYS 25 HN LYS 25 44.349 9.356 -11.645 150 HA LYS 25 HA LYS 25 43.355 9.727 -9.096 151 HB2 LYS 25 HB2 LYS 25 45.878 9.270 -10.245 152 HB3 LYS 25 HB1 LYS 25 46.070 10.708 -9.242 153 HG2 LYS 25 HG2 LYS 25 46.482 8.779 -7.844 154 HG3 LYS 25 HG1 LYS 25 44.926 9.463 -7.372 155 HD2 LYS 25 HD2 LYS 25 43.985 7.455 -7.755 156 HD3 LYS 25 HD1 LYS 25 44.375 7.645 -9.465 157 HE2 LYS 25 HE2 LYS 25 45.359 5.567 -8.698 158 HE3 LYS 25 HE1 LYS 25 46.663 6.722 -8.976 159 HZ1 LYS 25 HZ1 LYS 25 46.943 5.580 -6.871 160 HZ2 LYS 25 HZ2 LYS 25 45.415 6.109 -6.351 161 HZ3 LYS 25 HZ3 LYS 25 46.661 7.233 -6.613 162 H SER 26 HN SER 26 42.611 11.426 -8.008 163 HA SER 26 HA SER 26 42.500 14.029 -9.115 164 HB2 SER 26 HB2 SER 26 42.096 14.348 -6.389 165 HB3 SER 26 HB1 SER 26 40.850 14.013 -7.588 166 HG SER 26 HG SER 26 42.266 11.800 -6.813 167 H SER 27 HN SER 27 44.202 12.956 -6.162 168 HA SER 27 HA SER 27 46.291 13.534 -5.358 169 HB2 SER 27 HB2 SER 27 46.713 13.776 -7.993 170 HB3 SER 27 HB1 SER 27 46.831 15.475 -7.545 171 HG SER 27 HG SER 27 48.493 15.002 -6.193 172 H GLY 28 HN GLY 28 43.696 15.509 -5.917 173 HA2 GLY 28 HA2 GLY 28 43.819 17.094 -3.732 174 HA3 GLY 28 HA1 GLY 28 44.800 17.985 -4.891 175 H ALA 29 HN ALA 29 41.988 16.012 -5.677 176 HA ALA 29 HA ALA 29 40.574 18.464 -6.543 177 HB1 ALA 29 HB1 ALA 29 41.340 16.260 -8.071 178 HB2 ALA 29 HB2 ALA 29 40.170 17.497 -8.529 179 HB3 ALA 29 HB3 ALA 29 39.622 16.006 -7.762 180 H LEU 30 HN LEU 30 39.915 15.080 -5.606 181 HA LEU 30 HA LEU 30 37.402 15.987 -4.359 182 HB2 LEU 30 HB2 LEU 30 36.674 13.682 -4.493 183 HB3 LEU 30 HB1 LEU 30 37.280 14.176 -6.073 184 HG LEU 30 HG LEU 30 39.558 13.241 -4.817 185 HD11 LEU 30 HD11 LEU 30 38.920 11.019 -3.923 186 HD12 LEU 30 HD12 LEU 30 37.218 11.449 -4.096 187 HD13 LEU 30 HD13 LEU 30 38.240 12.329 -2.958 188 HD21 LEU 30 HD21 LEU 30 38.870 12.819 -7.144 189 HD22 LEU 30 HD22 LEU 30 37.604 11.729 -6.579 190 HD23 LEU 30 HD23 LEU 30 39.301 11.308 -6.343 191 H ILE 31 HN ILE 31 40.550 15.255 -3.566 192 HA ILE 31 HA ILE 31 40.179 13.759 -1.172 193 HB ILE 31 HB ILE 31 42.525 15.562 -1.362 194 HG12 ILE 31 HG12 ILE 31 41.767 13.531 -3.458 195 HG13 ILE 31 HG11 ILE 31 42.468 15.136 -3.677 196 HG21 ILE 31 HG21 ILE 31 42.036 13.575 0.250 197 HG22 ILE 31 HG22 ILE 31 43.641 13.699 -0.469 198 HG23 ILE 31 HG23 ILE 31 42.466 12.561 -1.128 199 HD11 ILE 31 HD11 ILE 31 44.295 13.713 -4.063 200 HD12 ILE 31 HD12 ILE 31 43.815 12.596 -2.786 201 HD13 ILE 31 HD13 ILE 31 44.502 14.167 -2.371 202 HA PRO 32 HA PRO 32 40.175 17.965 1.002 203 HB2 PRO 32 HB2 PRO 32 39.901 20.243 -0.463 204 HB3 PRO 32 HB1 PRO 32 41.469 19.473 -0.163 205 HG2 PRO 32 HG2 PRO 32 39.883 19.588 -2.625 206 HG3 PRO 32 HG1 PRO 32 41.615 19.309 -2.407 207 HD2 PRO 32 HD2 PRO 32 39.575 17.349 -2.904 208 HD3 PRO 32 HD1 PRO 32 41.309 17.069 -2.643 209 H ALA 33 HN ALA 33 37.964 16.699 -0.979 210 HA ALA 33 HA ALA 33 35.769 18.488 -0.125 211 HB1 ALA 33 HB1 ALA 33 35.915 16.548 -2.445 212 HB2 ALA 33 HB2 ALA 33 35.930 18.308 -2.548 213 HB3 ALA 33 HB3 ALA 33 34.482 17.471 -1.991 214 H ILE 34 HN ILE 34 37.223 15.478 0.360 215 HA ILE 34 HA ILE 34 34.794 14.463 1.714 216 HB ILE 34 HB ILE 34 36.886 12.872 0.213 217 HG12 ILE 34 HG12 ILE 34 33.925 12.911 -0.325 218 HG13 ILE 34 HG11 ILE 34 34.953 14.181 -0.989 219 HG21 ILE 34 HG21 ILE 34 34.584 12.087 2.002 220 HG22 ILE 34 HG22 ILE 34 36.259 11.537 2.069 221 HG23 ILE 34 HG23 ILE 34 35.203 10.993 0.765 222 HD11 ILE 34 HD11 ILE 34 36.002 12.760 -2.446 223 HD12 ILE 34 HD12 ILE 34 34.506 11.845 -2.271 224 HD13 ILE 34 HD13 ILE 34 35.929 11.395 -1.332 225 H TYR 35 HN TYR 35 38.290 13.743 1.538 226 HA TYR 35 HA TYR 35 38.518 12.814 4.180 227 HB2 TYR 35 HB2 TYR 35 40.432 12.222 3.135 228 HB3 TYR 35 HB1 TYR 35 40.344 13.577 2.009 229 HD1 TYR 35 HD1 TYR 35 41.156 15.834 2.693 230 HD2 TYR 35 HD2 TYR 35 41.686 12.373 5.181 231 HE1 TYR 35 HE1 TYR 35 42.869 17.046 4.015 232 HE2 TYR 35 HE2 TYR 35 43.398 13.585 6.503 233 HH TYR 35 HH TYR 35 44.349 16.918 5.660 234 H MET 36 HN MET 36 37.989 15.948 3.027 235 HA MET 36 HA MET 36 39.184 17.209 5.402 236 HB2 MET 36 HB2 MET 36 39.715 18.279 3.282 237 HB3 MET 36 HB1 MET 36 38.001 18.411 2.887 238 HG2 MET 36 HG2 MET 36 37.627 20.088 4.450 239 HG3 MET 36 HG1 MET 36 38.975 19.580 5.469 240 HE1 MET 36 HE1 MET 36 37.838 22.440 3.657 241 HE2 MET 36 HE2 MET 36 37.740 21.286 2.329 242 HE3 MET 36 HE3 MET 36 38.838 22.660 2.214 243 H LEU 37 HN LEU 37 36.098 16.967 3.649 244 HA LEU 37 HA LEU 37 34.608 18.418 5.614 245 HB2 LEU 37 HB2 LEU 37 33.492 16.443 3.621 246 HB3 LEU 37 HB1 LEU 37 32.677 17.828 4.347 247 HG LEU 37 HG LEU 37 35.007 17.920 2.409 248 HD11 LEU 37 HD11 LEU 37 32.493 17.498 1.708 249 HD12 LEU 37 HD12 LEU 37 33.484 18.645 0.806 250 HD13 LEU 37 HD13 LEU 37 32.338 19.229 2.012 251 HD21 LEU 37 HD21 LEU 37 35.385 19.750 3.843 252 HD22 LEU 37 HD22 LEU 37 33.662 20.020 4.102 253 HD23 LEU 37 HD23 LEU 37 34.399 20.454 2.561 254 H VAL 38 HN VAL 38 36.231 15.801 6.195 255 HA VAL 38 HA VAL 38 34.147 14.621 7.924 256 HB VAL 38 HB VAL 38 36.239 13.109 6.342 257 HG11 VAL 38 HG11 VAL 38 34.545 12.435 8.678 258 HG12 VAL 38 HG12 VAL 38 36.061 11.713 8.141 259 HG13 VAL 38 HG13 VAL 38 34.542 11.248 7.374 260 HG21 VAL 38 HG21 VAL 38 33.214 12.976 6.196 261 HG22 VAL 38 HG22 VAL 38 34.370 12.191 5.121 262 HG23 VAL 38 HG23 VAL 38 34.196 13.946 5.098 263 H PHE 39 HN PHE 39 37.252 15.938 7.562 264 HA PHE 39 HA PHE 39 38.654 14.654 9.655 265 HB2 PHE 39 HB2 PHE 39 40.092 15.900 8.364 266 HB3 PHE 39 HB1 PHE 39 38.934 17.213 8.148 267 HD1 PHE 39 HD1 PHE 39 41.017 15.544 10.777 268 HD2 PHE 39 HD2 PHE 39 39.118 19.159 9.445 269 HE1 PHE 39 HE1 PHE 39 42.081 16.789 12.639 270 HE2 PHE 39 HE2 PHE 39 40.182 20.404 11.307 271 HZ PHE 39 HZ PHE 39 41.663 19.219 12.904 272 H LEU 40 HN LEU 40 36.268 17.195 9.590 273 HA LEU 40 HA LEU 40 36.590 17.618 12.494 274 HB2 LEU 40 HB2 LEU 40 35.148 19.638 12.083 275 HB3 LEU 40 HB1 LEU 40 36.709 19.684 11.261 276 HG LEU 40 HG LEU 40 34.713 18.358 9.621 277 HD11 LEU 40 HD11 LEU 40 33.095 19.776 10.749 278 HD12 LEU 40 HD12 LEU 40 33.396 20.445 9.146 279 HD13 LEU 40 HD13 LEU 40 34.140 21.184 10.564 280 HD21 LEU 40 HD21 LEU 40 35.504 20.044 7.989 281 HD22 LEU 40 HD22 LEU 40 36.859 19.278 8.819 282 HD23 LEU 40 HD23 LEU 40 36.342 20.899 9.284 283 H LEU 41 HN LEU 41 34.799 15.886 10.294 284 HA LEU 41 HA LEU 41 32.597 15.571 12.229 285 HB2 LEU 41 HB2 LEU 41 32.376 16.050 9.260 286 HB3 LEU 41 HB1 LEU 41 31.086 15.274 10.180 287 HG LEU 41 HG LEU 41 32.142 17.735 11.414 288 HD11 LEU 41 HD11 LEU 41 30.939 19.223 9.841 289 HD12 LEU 41 HD12 LEU 41 30.611 17.841 8.796 290 HD13 LEU 41 HD13 LEU 41 32.271 18.386 9.044 291 HD21 LEU 41 HD21 LEU 41 29.310 17.019 10.632 292 HD22 LEU 41 HD22 LEU 41 29.844 18.064 11.948 293 HD23 LEU 41 HD23 LEU 41 30.091 16.321 12.052 294 H GLY 42 HN GLY 42 34.066 13.721 12.761 295 HA2 GLY 42 HA2 GLY 42 33.081 11.282 12.114 296 HA3 GLY 42 HA1 GLY 42 34.263 11.566 10.840 297 H THR 43 HN THR 43 35.786 13.239 12.935 298 HA THR 43 HA THR 43 36.876 11.034 14.559 299 HB THR 43 HB THR 43 38.301 11.232 12.570 300 HG1 THR 43 HG1 THR 43 39.968 11.015 13.815 301 HG21 THR 43 HG21 THR 43 38.970 14.039 13.431 302 HG22 THR 43 HG22 THR 43 37.652 13.729 12.302 303 HG23 THR 43 HG23 THR 43 39.298 13.252 11.888 304 H THR 44 HN THR 44 36.941 14.535 13.916 305 HA THR 44 HA THR 44 38.136 15.479 16.199 306 HB THR 44 HB THR 44 35.886 16.549 14.521 307 HG1 THR 44 HG1 THR 44 38.513 16.597 14.480 308 HG21 THR 44 HG21 THR 44 36.337 18.714 15.895 309 HG22 THR 44 HG22 THR 44 36.929 17.611 17.137 310 HG23 THR 44 HG23 THR 44 35.260 17.495 16.578 311 H GLY 45 HN GLY 45 34.915 14.143 15.839 312 HA2 GLY 45 HA2 GLY 45 34.192 13.017 18.003 313 HA3 GLY 45 HA1 GLY 45 34.394 14.615 18.712 314 H ASN 46 HN ASN 46 33.195 14.231 15.462 315 HA ASN 46 HA ASN 46 30.425 14.636 16.354 316 HB2 ASN 46 HB2 ASN 46 31.648 16.857 15.892 317 HB3 ASN 46 HB1 ASN 46 31.600 16.377 14.197 318 HD21 ASN 46 HD21 ASN 46 29.854 18.042 16.555 319 HD22 ASN 46 HD22 ASN 46 28.322 17.980 15.826 320 H GLY 47 HN GLY 47 30.455 12.358 15.589 321 HA2 GLY 47 HA2 GLY 47 29.171 12.028 13.156 322 HA3 GLY 47 HA1 GLY 47 30.878 11.732 12.841 323 H LEU 48 HN LEU 48 31.562 10.577 15.332 324 HA LEU 48 HA LEU 48 30.760 7.880 14.873 325 HB2 LEU 48 HB2 LEU 48 32.579 9.324 16.684 326 HB3 LEU 48 HB1 LEU 48 31.888 7.858 17.371 327 HG LEU 48 HG LEU 48 34.051 7.494 16.135 328 HD11 LEU 48 HD11 LEU 48 31.617 6.009 15.988 329 HD12 LEU 48 HD12 LEU 48 33.269 5.402 15.882 330 HD13 LEU 48 HD13 LEU 48 32.413 5.889 14.420 331 HD21 LEU 48 HD21 LEU 48 33.014 9.204 14.284 332 HD22 LEU 48 HD22 LEU 48 32.656 7.651 13.528 333 HD23 LEU 48 HD23 LEU 48 34.318 8.067 13.944 334 H VAL 49 HN VAL 49 30.251 6.671 17.179 335 HA VAL 49 HA VAL 49 28.362 6.014 18.336 336 HB VAL 49 HB VAL 49 29.613 7.326 19.982 337 HG11 VAL 49 HG11 VAL 49 29.786 9.486 18.953 338 HG12 VAL 49 HG12 VAL 49 28.833 9.701 20.417 339 HG13 VAL 49 HG13 VAL 49 28.034 9.652 18.850 340 HG21 VAL 49 HG21 VAL 49 26.987 6.570 20.142 341 HG22 VAL 49 HG22 VAL 49 26.881 8.278 20.570 342 HG23 VAL 49 HG23 VAL 49 27.924 7.200 21.498 343 H LEU 50 HN LEU 50 27.883 7.492 15.764 344 HA LEU 50 HA LEU 50 25.036 8.060 16.250 345 HB2 LEU 50 HB2 LEU 50 27.050 9.866 14.939 346 HB3 LEU 50 HB1 LEU 50 25.360 9.911 14.438 347 HG LEU 50 HG LEU 50 25.848 9.954 17.366 348 HD11 LEU 50 HD11 LEU 50 27.578 11.483 16.836 349 HD12 LEU 50 HD12 LEU 50 26.174 12.504 17.149 350 HD13 LEU 50 HD13 LEU 50 26.670 12.171 15.490 351 HD21 LEU 50 HD21 LEU 50 24.113 11.682 15.580 352 HD22 LEU 50 HD22 LEU 50 23.938 11.427 17.316 353 HD23 LEU 50 HD23 LEU 50 23.604 10.109 16.194 354 H TRP 51 HN TRP 51 27.642 7.249 14.025 355 HA TRP 51 HA TRP 51 25.682 6.324 12.031 356 HB2 TRP 51 HB2 TRP 51 27.162 7.289 10.637 357 HB3 TRP 51 HB1 TRP 51 28.376 7.427 11.909 358 HD1 TRP 51 HD1 TRP 51 26.876 4.614 9.704 359 HE1 TRP 51 HE1 TRP 51 28.780 2.993 9.077 360 HE3 TRP 51 HE3 TRP 51 30.746 6.771 12.243 361 HZ2 TRP 51 HZ2 TRP 51 31.574 2.655 9.585 362 HZ3 TRP 51 HZ3 TRP 51 33.015 5.780 12.155 363 HH2 TRP 51 HH2 TRP 51 33.434 3.727 10.830 364 H THR 52 HN THR 52 28.542 5.233 13.838 365 HA THR 52 HA THR 52 28.444 2.544 12.919 366 HB THR 52 HB THR 52 30.354 3.877 14.129 367 HG1 THR 52 HG1 THR 52 30.274 1.615 13.414 368 HG21 THR 52 HG21 THR 52 30.454 3.693 16.467 369 HG22 THR 52 HG22 THR 52 29.216 2.439 16.514 370 HG23 THR 52 HG23 THR 52 28.766 4.109 16.174 371 H VAL 53 HN VAL 53 26.467 4.280 15.041 372 HA VAL 53 HA VAL 53 25.775 2.120 16.815 373 HB VAL 53 HB VAL 53 24.330 4.719 16.246 374 HG11 VAL 53 HG11 VAL 53 24.018 2.557 18.330 375 HG12 VAL 53 HG12 VAL 53 22.778 3.272 17.302 376 HG13 VAL 53 HG13 VAL 53 23.470 4.206 18.627 377 HG21 VAL 53 HG21 VAL 53 25.475 5.553 18.223 378 HG22 VAL 53 HG22 VAL 53 26.685 4.938 17.097 379 HG23 VAL 53 HG23 VAL 53 26.220 3.979 18.502 380 H PHE 54 HN PHE 54 24.442 3.517 13.856 381 HA PHE 54 HA PHE 54 22.050 1.931 13.891 382 HB2 PHE 54 HB2 PHE 54 23.408 3.644 11.820 383 HB3 PHE 54 HB1 PHE 54 21.992 2.671 11.421 384 HD1 PHE 54 HD2 PHE 54 23.212 5.151 13.952 385 HD2 PHE 54 HD1 PHE 54 19.848 3.524 11.834 386 HE1 PHE 54 HE2 PHE 54 21.743 6.879 14.956 387 HE2 PHE 54 HE1 PHE 54 18.380 5.251 12.837 388 HZ PHE 54 HZ PHE 54 19.327 6.929 14.399 389 H ARG 55 HN ARG 55 24.838 0.667 14.005 390 HA ARG 55 HA ARG 55 24.339 -1.344 11.897 391 HB2 ARG 55 HB2 ARG 55 27.003 -0.186 12.745 392 HB3 ARG 55 HB1 ARG 55 26.822 -1.609 11.719 393 HG2 ARG 55 HG2 ARG 55 25.837 -0.366 9.967 394 HG3 ARG 55 HG1 ARG 55 25.469 0.996 11.024 395 HD2 ARG 55 HD2 ARG 55 27.622 0.922 9.367 396 HD3 ARG 55 HD1 ARG 55 27.565 1.868 10.852 397 HE ARG 55 HE ARG 55 29.092 0.389 11.788 398 HH11 ARG 55 HH21 ARG 55 27.650 -0.943 8.938 399 HH12 ARG 55 HH22 ARG 55 28.693 -2.324 8.887 400 HH21 ARG 55 HH11 ARG 55 30.464 -1.421 11.729 401 HH22 ARG 55 HH12 ARG 55 30.286 -2.595 10.467 402 H LYS 56 HN LYS 56 25.093 -0.580 15.162 403 HA LYS 56 HA LYS 56 25.609 -3.421 15.787 404 HB2 LYS 56 HB2 LYS 56 26.486 -2.588 17.939 405 HB3 LYS 56 HB1 LYS 56 27.342 -1.878 16.570 406 HG2 LYS 56 HG2 LYS 56 26.877 0.133 17.485 407 HG3 LYS 56 HG1 LYS 56 25.211 -0.140 16.979 408 HD2 LYS 56 HD2 LYS 56 25.110 0.344 19.317 409 HD3 LYS 56 HD1 LYS 56 24.886 -1.399 19.174 410 HE2 LYS 56 HE2 LYS 56 27.652 -1.097 19.323 411 HE3 LYS 56 HE1 LYS 56 27.036 0.089 20.473 412 HZ1 LYS 56 HZ1 LYS 56 25.735 -2.497 20.542 413 HZ2 LYS 56 HZ2 LYS 56 26.239 -1.497 21.819 414 HZ3 LYS 56 HZ3 LYS 56 27.360 -2.501 21.029 415 H LYS 57 HN LYS 57 23.529 -0.673 16.468 416 HA LYS 57 HA LYS 57 21.406 -0.583 17.349 417 HB2 LYS 57 HB2 LYS 57 21.520 -3.091 16.242 418 HB3 LYS 57 HB1 LYS 57 21.136 -3.452 17.925 419 HG2 LYS 57 HG2 LYS 57 19.252 -1.851 17.834 420 HG3 LYS 57 HG1 LYS 57 19.630 -1.510 16.144 421 HD2 LYS 57 HD2 LYS 57 18.977 -3.645 15.432 422 HD3 LYS 57 HD1 LYS 57 19.150 -4.340 17.044 423 HE2 LYS 57 HE2 LYS 57 17.123 -3.473 17.787 424 HE3 LYS 57 HE1 LYS 57 17.141 -2.156 16.615 425 HZ1 LYS 57 HZ1 LYS 57 16.774 -5.023 15.932 426 HZ2 LYS 57 HZ2 LYS 57 16.684 -3.708 14.860 427 HZ3 LYS 57 HZ3 LYS 57 15.514 -3.896 16.077 428 H GLY 58 HN GLY 58 23.160 -3.245 18.971 429 HA2 GLY 58 HA2 GLY 58 24.066 -2.374 21.244 430 HA3 GLY 58 HA1 GLY 58 22.354 -2.119 21.569 431 H HIS 59 HN HIS 59 22.054 -4.639 19.710 432 HA HIS 59 HA HIS 59 23.100 -6.813 21.239 433 HB2 HIS 59 HB2 HIS 59 20.580 -7.512 21.800 434 HB3 HIS 59 HB1 HIS 59 21.563 -6.574 22.925 435 HD2 HIS 59 HD2 HIS 59 20.007 -4.797 19.782 436 HE1 HIS 59 HE1 HIS 59 18.004 -3.384 23.219 437 HE2 HIS 59 HE2 HIS 59 18.282 -3.073 20.714 438 H HIS 60 HN HIS 60 19.846 -6.633 19.879 439 HA HIS 60 HA HIS 60 20.469 -7.460 17.256 440 HB2 HIS 60 HB2 HIS 60 20.412 -9.572 19.290 441 HB3 HIS 60 HB1 HIS 60 19.326 -9.870 17.933 442 HD2 HIS 60 HD2 HIS 60 20.950 -9.103 15.352 443 HE1 HIS 60 HE1 HIS 60 24.312 -11.041 17.015 444 HE2 HIS 60 HE2 HIS 60 23.302 -10.130 14.871 445 H HIS 61 HN HIS 61 18.058 -8.651 19.602 446 HA HIS 61 HA HIS 61 15.995 -6.886 18.787 447 HB2 HIS 61 HB2 HIS 61 16.454 -9.107 17.040 448 HB3 HIS 61 HB1 HIS 61 14.907 -9.337 17.856 449 HD2 HIS 61 HD2 HIS 61 13.661 -6.381 17.895 450 HE1 HIS 61 HE1 HIS 61 14.659 -6.132 13.800 451 HE2 HIS 61 HE2 HIS 61 13.247 -5.114 15.649 452 H HIS 62 HN HIS 62 17.315 -9.268 20.690 453 HA HIS 62 HA HIS 62 16.636 -10.369 22.589 454 HB2 HIS 62 HB2 HIS 62 16.083 -7.935 23.128 455 HB3 HIS 62 HB1 HIS 62 14.412 -8.335 22.729 456 HD2 HIS 62 HD2 HIS 62 15.617 -7.781 25.922 457 HE1 HIS 62 HE1 HIS 62 14.421 -11.801 26.406 458 HE2 HIS 62 HE2 HIS 62 15.046 -9.668 27.635 459 H HIS 63 HN HIS 63 15.968 -12.070 20.965 460 HA HIS 63 HA HIS 63 13.427 -13.116 21.689 461 HB2 HIS 63 HB2 HIS 63 12.659 -11.384 20.087 462 HB3 HIS 63 HB1 HIS 63 13.661 -12.123 18.838 463 HD2 HIS 63 HD2 HIS 63 12.263 -14.010 17.397 464 HE1 HIS 63 HE1 HIS 63 9.351 -14.966 20.301 465 HE2 HIS 63 HE2 HIS 63 10.134 -15.426 17.929 466 H HIS 64 HN HIS 64 16.055 -14.068 21.745 467 HA HIS 64 HA HIS 64 17.432 -15.782 21.022 468 HB2 HIS 64 HB2 HIS 64 14.981 -16.734 21.820 469 HB3 HIS 64 HB1 HIS 64 15.169 -17.476 20.232 470 HD2 HIS 64 HD2 HIS 64 18.067 -18.581 20.063 471 HE1 HIS 64 HE1 HIS 64 17.798 -19.804 24.094 472 HE2 HIS 64 HE2 HIS 64 19.101 -20.083 21.932 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 75.458 3.813 -35.366 2 H2 MET 1 HT2 MET 1 77.012 3.944 -36.037 3 H3 MET 1 HT3 MET 1 75.910 2.808 -36.655 4 HA MET 1 HA MET 1 75.351 5.712 -36.699 5 HB2 MET 1 HB2 MET 1 76.237 5.797 -38.953 6 HB3 MET 1 HB1 MET 1 77.503 5.177 -37.892 7 HG2 MET 1 HG2 MET 1 76.468 2.834 -38.536 8 HG3 MET 1 HG1 MET 1 75.867 3.720 -39.938 9 HE1 MET 1 HE1 MET 1 78.596 2.077 -41.765 10 HE2 MET 1 HE2 MET 1 77.458 3.356 -42.181 11 HE3 MET 1 HE3 MET 1 76.933 2.018 -41.163 12 H GLU 2 HN GLU 2 74.419 5.508 -39.380 13 HA GLU 2 HA GLU 2 72.403 5.148 -40.438 14 HB2 GLU 2 HB2 GLU 2 73.706 2.818 -40.396 15 HB3 GLU 2 HB1 GLU 2 72.325 2.352 -39.403 16 HG2 GLU 2 HG2 GLU 2 70.797 3.187 -41.175 17 HG3 GLU 2 HG1 GLU 2 72.196 3.573 -42.176 18 H GLU 3 HN GLU 3 72.177 6.277 -37.895 19 HA GLU 3 HA GLU 3 69.447 5.741 -37.300 20 HB2 GLU 3 HB2 GLU 3 69.915 3.933 -35.970 21 HB3 GLU 3 HB1 GLU 3 71.563 4.465 -35.647 22 HG2 GLU 3 HG2 GLU 3 70.851 6.017 -33.989 23 HG3 GLU 3 HG1 GLU 3 69.164 5.905 -34.499 24 H GLY 4 HN GLY 4 68.592 7.603 -36.622 25 HA2 GLY 4 HA2 GLY 4 69.248 9.292 -34.641 26 HA3 GLY 4 HA1 GLY 4 70.353 9.806 -35.912 27 H GLY 5 HN GLY 5 67.088 8.565 -36.404 28 HA2 GLY 5 HA2 GLY 5 65.930 11.186 -36.783 29 HA3 GLY 5 HA1 GLY 5 66.205 10.312 -38.286 30 H ASP 6 HN ASP 6 64.317 9.517 -38.967 31 HA ASP 6 HA ASP 6 62.189 8.616 -38.921 32 HB2 ASP 6 HB2 ASP 6 64.008 6.732 -38.294 33 HB3 ASP 6 HB1 ASP 6 63.025 6.682 -36.832 34 H PHE 7 HN PHE 7 62.909 10.670 -36.798 35 HA PHE 7 HA PHE 7 62.053 11.522 -34.820 36 HB2 PHE 7 HB2 PHE 7 59.476 10.402 -35.934 37 HB3 PHE 7 HB1 PHE 7 59.675 11.813 -34.896 38 HD1 PHE 7 HD1 PHE 7 61.049 13.788 -35.789 39 HD2 PHE 7 HD2 PHE 7 59.599 10.607 -38.285 40 HE1 PHE 7 HE1 PHE 7 61.350 15.221 -37.790 41 HE2 PHE 7 HE2 PHE 7 59.901 12.040 -40.286 42 HZ PHE 7 HZ PHE 7 60.776 14.346 -40.039 43 H ASP 8 HN ASP 8 63.261 9.458 -33.920 44 HA ASP 8 HA ASP 8 61.815 7.257 -32.956 45 HB2 ASP 8 HB2 ASP 8 64.243 7.267 -32.977 46 HB3 ASP 8 HB1 ASP 8 64.277 8.602 -31.825 47 H ASN 9 HN ASN 9 60.514 6.940 -31.240 48 HA ASN 9 HA ASN 9 60.456 8.821 -29.025 49 HB2 ASN 9 HB2 ASN 9 58.961 10.002 -30.457 50 HB3 ASN 9 HB1 ASN 9 58.147 8.517 -30.947 51 HD21 ASN 9 HD21 ASN 9 57.100 7.274 -28.995 52 HD22 ASN 9 HD22 ASN 9 56.344 8.235 -27.819 53 H TYR 10 HN TYR 10 59.123 5.974 -30.626 54 HA TYR 10 HA TYR 10 57.564 4.802 -28.734 55 HB2 TYR 10 HB2 TYR 10 59.730 3.292 -30.199 56 HB3 TYR 10 HB1 TYR 10 58.178 2.668 -29.633 57 HD1 TYR 10 HD1 TYR 10 56.064 3.376 -30.721 58 HD2 TYR 10 HD2 TYR 10 59.899 4.594 -32.225 59 HE1 TYR 10 HE1 TYR 10 55.010 4.047 -32.863 60 HE2 TYR 10 HE2 TYR 10 58.844 5.266 -34.367 61 HH TYR 10 HH TYR 10 56.709 5.873 -35.253 62 H TYR 11 HN TYR 11 60.985 5.365 -28.557 63 HA TYR 11 HA TYR 11 62.029 3.619 -26.792 64 HB2 TYR 11 HB2 TYR 11 62.309 6.569 -27.082 65 HB3 TYR 11 HB1 TYR 11 62.999 5.824 -25.640 66 HD1 TYR 11 HD1 TYR 11 62.654 4.520 -29.133 67 HD2 TYR 11 HD2 TYR 11 65.318 5.703 -25.978 68 HE1 TYR 11 HE1 TYR 11 64.587 3.725 -30.467 69 HE2 TYR 11 HE2 TYR 11 67.251 4.907 -27.312 70 HH TYR 11 HH TYR 11 66.780 3.315 -30.460 71 H GLY 12 HN GLY 12 60.589 6.615 -25.499 72 HA2 GLY 12 HA2 GLY 12 60.312 5.776 -22.870 73 HA3 GLY 12 HA1 GLY 12 59.282 6.985 -23.635 74 H ALA 13 HN ALA 13 58.450 4.958 -25.672 75 HA ALA 13 HA ALA 13 56.491 3.759 -25.963 76 HB1 ALA 13 HB1 ALA 13 57.686 1.821 -25.705 77 HB2 ALA 13 HB2 ALA 13 56.621 1.663 -24.307 78 HB3 ALA 13 HB3 ALA 13 58.267 2.265 -24.100 79 H ASP 14 HN ASP 14 56.663 2.768 -22.618 80 HA ASP 14 HA ASP 14 53.996 3.220 -22.023 81 HB2 ASP 14 HB2 ASP 14 56.459 3.058 -20.304 82 HB3 ASP 14 HB1 ASP 14 54.877 3.366 -19.589 83 H ASN 15 HN ASN 15 56.626 5.477 -22.163 84 HA ASN 15 HA ASN 15 55.897 7.542 -20.528 85 HB2 ASN 15 HB2 ASN 15 57.869 7.739 -21.875 86 HB3 ASN 15 HB1 ASN 15 56.932 7.647 -23.365 87 HD21 ASN 15 HD21 ASN 15 56.757 9.677 -24.309 88 HD22 ASN 15 HD22 ASN 15 56.582 11.136 -23.459 89 H GLN 16 HN GLN 16 54.367 6.559 -23.538 90 HA GLN 16 HA GLN 16 52.439 8.773 -23.304 91 HB2 GLN 16 HB2 GLN 16 52.488 6.825 -25.584 92 HB3 GLN 16 HB1 GLN 16 51.987 8.516 -25.572 93 HG2 GLN 16 HG2 GLN 16 54.551 8.854 -24.867 94 HG3 GLN 16 HG1 GLN 16 54.722 7.351 -25.770 95 HE21 GLN 16 HE21 GLN 16 54.831 7.544 -28.023 96 HE22 GLN 16 HE22 GLN 16 54.421 8.946 -28.887 97 H SER 17 HN SER 17 52.256 6.750 -21.376 98 HA SER 17 HA SER 17 49.628 5.620 -22.069 99 HB2 SER 17 HB2 SER 17 51.919 4.081 -20.831 100 HB3 SER 17 HB1 SER 17 50.260 3.498 -20.927 101 HG SER 17 HG SER 17 50.762 2.872 -22.861 102 H GLU 18 HN GLU 18 49.063 4.309 -19.757 103 HA GLU 18 HA GLU 18 48.073 6.168 -18.035 104 HB2 GLU 18 HB2 GLU 18 49.206 3.478 -17.226 105 HB3 GLU 18 HB1 GLU 18 48.033 4.427 -16.310 106 HG2 GLU 18 HG2 GLU 18 46.436 4.276 -18.173 107 HG3 GLU 18 HG1 GLU 18 47.607 3.354 -19.114 108 H CYS 19 HN CYS 19 49.261 7.904 -17.417 109 HA CYS 19 HA CYS 19 51.367 7.443 -15.461 110 HB2 CYS 19 HB2 CYS 19 52.420 7.564 -17.806 111 HB3 CYS 19 HB1 CYS 19 51.970 9.269 -17.781 112 HG CYS 19 HG CYS 19 53.936 9.683 -16.347 113 H GLU 20 HN GLU 20 50.139 10.122 -17.482 114 HA GLU 20 HA GLU 20 49.224 11.472 -15.029 115 HB2 GLU 20 HB2 GLU 20 50.803 12.859 -17.205 116 HB3 GLU 20 HB1 GLU 20 50.226 13.565 -15.696 117 HG2 GLU 20 HG2 GLU 20 52.225 11.297 -15.924 118 HG3 GLU 20 HG1 GLU 20 52.618 12.971 -15.540 119 H TYR 21 HN TYR 21 48.246 10.141 -17.724 120 HA TYR 21 HA TYR 21 46.554 12.348 -18.676 121 HB2 TYR 21 HB2 TYR 21 47.237 9.627 -19.780 122 HB3 TYR 21 HB1 TYR 21 45.903 10.583 -20.425 123 HD1 TYR 21 HD2 TYR 21 49.558 10.379 -20.011 124 HD2 TYR 21 HD1 TYR 21 46.301 12.678 -21.612 125 HE1 TYR 21 HE2 TYR 21 51.161 11.718 -21.349 126 HE2 TYR 21 HE1 TYR 21 47.905 14.016 -22.951 127 HH TYR 21 HH TYR 21 50.998 14.283 -22.383 128 H THR 22 HN THR 22 46.337 10.540 -16.137 129 HA THR 22 HA THR 22 43.495 10.551 -16.015 130 HB THR 22 HB THR 22 43.747 8.571 -17.462 131 HG1 THR 22 HG1 THR 22 42.537 7.215 -16.153 132 HG21 THR 22 HG21 THR 22 45.192 6.850 -17.026 133 HG22 THR 22 HG22 THR 22 45.015 7.007 -15.279 134 HG23 THR 22 HG23 THR 22 46.067 8.114 -16.160 135 H ASP 23 HN ASP 23 46.526 9.230 -14.775 136 HA ASP 23 HA ASP 23 45.534 8.761 -12.125 137 HB2 ASP 23 HB2 ASP 23 48.304 8.912 -13.312 138 HB3 ASP 23 HB1 ASP 23 48.027 8.637 -11.593 139 H TRP 24 HN TRP 24 44.749 11.304 -12.842 140 HA TRP 24 HA TRP 24 45.983 12.866 -10.735 141 HB2 TRP 24 HB2 TRP 24 46.477 14.798 -12.212 142 HB3 TRP 24 HB1 TRP 24 47.480 13.397 -12.586 143 HD1 TRP 24 HD1 TRP 24 46.407 11.769 -14.624 144 HE1 TRP 24 HE1 TRP 24 45.346 12.542 -16.844 145 HE3 TRP 24 HE3 TRP 24 45.251 16.596 -13.420 146 HZ2 TRP 24 HZ2 TRP 24 44.164 14.894 -17.961 147 HZ3 TRP 24 HZ3 TRP 24 44.160 18.079 -15.078 148 HH2 TRP 24 HH2 TRP 24 43.616 17.233 -17.345 149 H LYS 25 HN LYS 25 43.957 13.331 -13.644 150 HA LYS 25 HA LYS 25 41.974 14.499 -13.894 151 HB2 LYS 25 HB2 LYS 25 41.462 12.730 -11.497 152 HB3 LYS 25 HB1 LYS 25 40.193 13.639 -12.320 153 HG2 LYS 25 HG2 LYS 25 40.164 12.223 -14.093 154 HG3 LYS 25 HG1 LYS 25 41.925 12.103 -14.138 155 HD2 LYS 25 HD2 LYS 25 41.880 10.539 -12.238 156 HD3 LYS 25 HD1 LYS 25 40.122 10.670 -12.163 157 HE2 LYS 25 HE2 LYS 25 39.887 9.680 -14.354 158 HE3 LYS 25 HE1 LYS 25 41.630 9.728 -14.616 159 HZ1 LYS 25 HZ1 LYS 25 41.720 8.312 -12.495 160 HZ2 LYS 25 HZ2 LYS 25 41.252 7.564 -13.947 161 HZ3 LYS 25 HZ3 LYS 25 40.080 8.002 -12.797 162 H SER 26 HN SER 26 41.443 14.307 -10.453 163 HA SER 26 HA SER 26 41.377 17.235 -10.328 164 HB2 SER 26 HB2 SER 26 40.397 15.094 -8.431 165 HB3 SER 26 HB1 SER 26 40.308 16.821 -8.093 166 HG SER 26 HG SER 26 39.152 15.439 -10.293 167 H SER 27 HN SER 27 42.266 14.853 -7.846 168 HA SER 27 HA SER 27 44.142 14.658 -6.523 169 HB2 SER 27 HB2 SER 27 45.724 16.699 -7.954 170 HB3 SER 27 HB1 SER 27 46.158 15.058 -7.483 171 HG SER 27 HG SER 27 45.727 15.692 -9.845 172 H GLY 28 HN GLY 28 42.538 17.559 -7.194 173 HA2 GLY 28 HA2 GLY 28 43.281 18.617 -4.562 174 HA3 GLY 28 HA1 GLY 28 43.536 19.660 -5.957 175 H ALA 29 HN ALA 29 40.914 17.557 -6.363 176 HA ALA 29 HA ALA 29 38.982 19.544 -5.352 177 HB1 ALA 29 HB1 ALA 29 39.590 19.354 -8.015 178 HB2 ALA 29 HB2 ALA 29 38.048 19.927 -7.377 179 HB3 ALA 29 HB3 ALA 29 38.224 18.246 -7.880 180 H LEU 30 HN LEU 30 40.053 16.469 -5.221 181 HA LEU 30 HA LEU 30 37.364 15.400 -4.596 182 HB2 LEU 30 HB2 LEU 30 39.411 14.372 -6.389 183 HB3 LEU 30 HB1 LEU 30 38.986 13.202 -5.138 184 HG LEU 30 HG LEU 30 36.601 13.461 -5.689 185 HD11 LEU 30 HD11 LEU 30 37.693 15.695 -7.284 186 HD12 LEU 30 HD12 LEU 30 36.094 15.500 -6.570 187 HD13 LEU 30 HD13 LEU 30 36.471 14.730 -8.110 188 HD21 LEU 30 HD21 LEU 30 38.000 11.781 -6.898 189 HD22 LEU 30 HD22 LEU 30 38.283 12.972 -8.168 190 HD23 LEU 30 HD23 LEU 30 36.653 12.366 -7.875 191 H ILE 31 HN ILE 31 40.607 15.945 -3.605 192 HA ILE 31 HA ILE 31 40.445 14.062 -1.379 193 HB ILE 31 HB ILE 31 42.689 15.974 -1.468 194 HG12 ILE 31 HG12 ILE 31 42.378 15.706 -3.871 195 HG13 ILE 31 HG11 ILE 31 43.764 14.742 -3.370 196 HG21 ILE 31 HG21 ILE 31 42.544 12.947 -1.393 197 HG22 ILE 31 HG22 ILE 31 42.538 13.988 0.030 198 HG23 ILE 31 HG23 ILE 31 43.954 13.938 -1.020 199 HD11 ILE 31 HD11 ILE 31 42.761 13.009 -4.416 200 HD12 ILE 31 HD12 ILE 31 41.230 13.875 -4.544 201 HD13 ILE 31 HD13 ILE 31 41.621 12.989 -3.072 202 HA PRO 32 HA PRO 32 40.280 18.171 0.970 203 HB2 PRO 32 HB2 PRO 32 39.896 20.497 -0.384 204 HB3 PRO 32 HB1 PRO 32 41.498 19.773 -0.152 205 HG2 PRO 32 HG2 PRO 32 39.838 19.920 -2.571 206 HG3 PRO 32 HG1 PRO 32 41.590 19.742 -2.408 207 HD2 PRO 32 HD2 PRO 32 39.681 17.684 -2.963 208 HD3 PRO 32 HD1 PRO 32 41.427 17.495 -2.705 209 H ALA 33 HN ALA 33 38.078 16.745 -0.757 210 HA ALA 33 HA ALA 33 35.850 18.331 0.345 211 HB1 ALA 33 HB1 ALA 33 34.753 17.279 -1.935 212 HB2 ALA 33 HB2 ALA 33 36.379 17.696 -2.477 213 HB3 ALA 33 HB3 ALA 33 35.338 18.935 -1.774 214 H ILE 34 HN ILE 34 37.463 15.518 0.406 215 HA ILE 34 HA ILE 34 35.058 14.014 1.207 216 HB ILE 34 HB ILE 34 37.322 12.786 -0.377 217 HG12 ILE 34 HG12 ILE 34 34.567 13.656 -1.313 218 HG13 ILE 34 HG11 ILE 34 36.086 14.438 -1.752 219 HG21 ILE 34 HG21 ILE 34 35.961 11.327 1.155 220 HG22 ILE 34 HG22 ILE 34 35.818 10.890 -0.548 221 HG23 ILE 34 HG23 ILE 34 34.524 11.792 0.242 222 HD11 ILE 34 HD11 ILE 34 36.852 12.191 -2.658 223 HD12 ILE 34 HD12 ILE 34 35.538 12.952 -3.556 224 HD13 ILE 34 HD13 ILE 34 35.195 11.629 -2.442 225 H TYR 35 HN TYR 35 38.610 14.167 1.232 226 HA TYR 35 HA TYR 35 38.757 12.499 3.609 227 HB2 TYR 35 HB2 TYR 35 40.701 12.040 2.567 228 HB3 TYR 35 HB1 TYR 35 40.618 13.505 1.588 229 HD1 TYR 35 HD2 TYR 35 41.564 15.617 2.386 230 HD2 TYR 35 HD1 TYR 35 41.785 12.042 4.758 231 HE1 TYR 35 HE2 TYR 35 43.257 16.690 3.845 232 HE2 TYR 35 HE1 TYR 35 43.479 13.116 6.216 233 HH TYR 35 HH TYR 35 44.450 15.082 6.763 234 H MET 36 HN MET 36 38.745 15.872 2.775 235 HA MET 36 HA MET 36 39.807 16.758 5.320 236 HB2 MET 36 HB2 MET 36 40.193 18.105 3.317 237 HB3 MET 36 HB1 MET 36 38.453 18.285 3.082 238 HG2 MET 36 HG2 MET 36 38.313 19.927 4.630 239 HG3 MET 36 HG1 MET 36 39.300 19.027 5.782 240 HE1 MET 36 HE1 MET 36 38.974 22.067 3.823 241 HE2 MET 36 HE2 MET 36 39.361 21.034 2.448 242 HE3 MET 36 HE3 MET 36 40.470 22.322 2.913 243 H LEU 37 HN LEU 37 36.649 16.385 3.797 244 HA LEU 37 HA LEU 37 35.202 17.681 5.917 245 HB2 LEU 37 HB2 LEU 37 34.059 15.727 3.922 246 HB3 LEU 37 HB1 LEU 37 33.241 17.060 4.737 247 HG LEU 37 HG LEU 37 35.411 17.273 2.633 248 HD11 LEU 37 HD11 LEU 37 33.699 18.301 1.286 249 HD12 LEU 37 HD12 LEU 37 32.576 18.343 2.646 250 HD13 LEU 37 HD13 LEU 37 33.025 16.799 1.919 251 HD21 LEU 37 HD21 LEU 37 34.787 19.794 2.934 252 HD22 LEU 37 HD22 LEU 37 35.899 19.056 4.088 253 HD23 LEU 37 HD23 LEU 37 34.205 19.289 4.520 254 H VAL 38 HN VAL 38 37.034 15.552 6.734 255 HA VAL 38 HA VAL 38 35.090 13.917 8.218 256 HB VAL 38 HB VAL 38 37.516 12.839 6.760 257 HG11 VAL 38 HG11 VAL 38 36.099 10.697 7.737 258 HG12 VAL 38 HG12 VAL 38 35.940 11.862 9.050 259 HG13 VAL 38 HG13 VAL 38 37.541 11.372 8.495 260 HG21 VAL 38 HG21 VAL 38 35.807 11.471 5.584 261 HG22 VAL 38 HG22 VAL 38 35.557 13.196 5.315 262 HG23 VAL 38 HG23 VAL 38 34.538 12.325 6.462 263 H PHE 39 HN PHE 39 38.206 15.443 7.946 264 HA PHE 39 HA PHE 39 39.329 14.470 10.378 265 HB2 PHE 39 HB2 PHE 39 40.903 15.371 8.900 266 HB3 PHE 39 HB1 PHE 39 39.914 16.791 8.560 267 HD1 PHE 39 HD2 PHE 39 41.165 15.127 11.688 268 HD2 PHE 39 HD1 PHE 39 40.867 18.750 9.397 269 HE1 PHE 39 HE2 PHE 39 42.330 16.365 13.493 270 HE2 PHE 39 HE1 PHE 39 42.032 19.986 11.203 271 HZ PHE 39 HZ PHE 39 42.763 18.794 13.251 272 H LEU 40 HN LEU 40 36.979 16.875 9.620 273 HA LEU 40 HA LEU 40 36.835 17.607 12.472 274 HB2 LEU 40 HB2 LEU 40 36.365 19.953 11.822 275 HB3 LEU 40 HB1 LEU 40 37.990 19.447 11.358 276 HG LEU 40 HG LEU 40 36.230 18.760 9.221 277 HD11 LEU 40 HD11 LEU 40 34.692 20.453 10.166 278 HD12 LEU 40 HD12 LEU 40 35.361 20.987 8.624 279 HD13 LEU 40 HD13 LEU 40 35.992 21.644 10.135 280 HD21 LEU 40 HD21 LEU 40 38.338 20.920 9.544 281 HD22 LEU 40 HD22 LEU 40 37.677 20.386 8.000 282 HD23 LEU 40 HD23 LEU 40 38.613 19.268 8.992 283 H LEU 41 HN LEU 41 35.349 16.323 9.836 284 HA LEU 41 HA LEU 41 32.704 16.722 11.017 285 HB2 LEU 41 HB2 LEU 41 33.012 18.490 9.248 286 HB3 LEU 41 HB1 LEU 41 33.200 17.195 8.069 287 HG LEU 41 HG LEU 41 30.955 16.314 8.733 288 HD11 LEU 41 HD11 LEU 41 30.271 17.024 10.786 289 HD12 LEU 41 HD12 LEU 41 29.651 18.415 9.897 290 HD13 LEU 41 HD13 LEU 41 31.217 18.509 10.701 291 HD21 LEU 41 HD21 LEU 41 29.740 18.531 7.877 292 HD22 LEU 41 HD22 LEU 41 30.753 17.567 6.803 293 HD23 LEU 41 HD23 LEU 41 31.402 19.023 7.554 294 H GLY 42 HN GLY 42 33.466 14.453 11.543 295 HA2 GLY 42 HA2 GLY 42 32.003 12.541 10.199 296 HA3 GLY 42 HA1 GLY 42 33.600 12.497 9.458 297 H THR 43 HN THR 43 34.794 13.369 12.091 298 HA THR 43 HA THR 43 34.391 10.937 13.697 299 HB THR 43 HB THR 43 36.370 10.772 12.021 300 HG1 THR 43 HG1 THR 43 37.678 9.958 13.921 301 HG21 THR 43 HG21 THR 43 38.355 11.919 12.549 302 HG22 THR 43 HG22 THR 43 37.787 12.342 14.164 303 HG23 THR 43 HG23 THR 43 37.110 13.152 12.751 304 H THR 44 HN THR 44 35.511 14.234 13.390 305 HA THR 44 HA THR 44 36.444 14.611 16.035 306 HB THR 44 HB THR 44 35.372 16.511 13.950 307 HG1 THR 44 HG1 THR 44 37.803 17.058 14.561 308 HG21 THR 44 HG21 THR 44 36.283 17.025 16.777 309 HG22 THR 44 HG22 THR 44 34.853 17.646 15.953 310 HG23 THR 44 HG23 THR 44 36.451 18.257 15.525 311 H GLY 45 HN GLY 45 33.353 13.980 14.884 312 HA2 GLY 45 HA2 GLY 45 31.544 15.508 16.210 313 HA3 GLY 45 HA1 GLY 45 31.369 13.761 16.071 314 H ASN 46 HN ASN 46 33.550 12.961 17.646 315 HA ASN 46 HA ASN 46 32.567 13.723 20.320 316 HB2 ASN 46 HB2 ASN 46 32.384 11.348 19.819 317 HB3 ASN 46 HB1 ASN 46 34.090 11.281 19.385 318 HD21 ASN 46 HD21 ASN 46 35.673 11.772 21.193 319 HD22 ASN 46 HD22 ASN 46 35.216 11.412 22.787 320 H GLY 47 HN GLY 47 35.131 14.228 18.209 321 HA2 GLY 47 HA2 GLY 47 37.304 14.282 20.076 322 HA3 GLY 47 HA1 GLY 47 37.300 14.983 18.459 323 H LEU 48 HN LEU 48 35.013 15.712 21.050 324 HA LEU 48 HA LEU 48 35.821 18.533 20.893 325 HB2 LEU 48 HB2 LEU 48 33.341 17.092 21.778 326 HB3 LEU 48 HB1 LEU 48 33.648 18.731 22.344 327 HG LEU 48 HG LEU 48 32.262 18.589 20.235 328 HD11 LEU 48 HD11 LEU 48 34.575 19.984 19.172 329 HD12 LEU 48 HD12 LEU 48 34.358 20.354 20.880 330 HD13 LEU 48 HD13 LEU 48 33.044 20.645 19.742 331 HD21 LEU 48 HD21 LEU 48 33.706 16.631 19.373 332 HD22 LEU 48 HD22 LEU 48 34.852 17.871 18.863 333 HD23 LEU 48 HD23 LEU 48 33.219 17.854 18.201 334 H VAL 49 HN VAL 49 36.487 15.859 22.734 335 HA VAL 49 HA VAL 49 36.674 17.339 25.267 336 HB VAL 49 HB VAL 49 37.501 14.925 25.989 337 HG11 VAL 49 HG11 VAL 49 35.552 15.797 26.984 338 HG12 VAL 49 HG12 VAL 49 34.977 14.336 26.181 339 HG13 VAL 49 HG13 VAL 49 34.706 15.913 25.441 340 HG21 VAL 49 HG21 VAL 49 35.677 14.253 23.674 341 HG22 VAL 49 HG22 VAL 49 36.643 13.154 24.656 342 HG23 VAL 49 HG23 VAL 49 37.431 14.235 23.507 343 H LEU 50 HN LEU 50 38.638 15.884 22.757 344 HA LEU 50 HA LEU 50 41.091 16.422 24.276 345 HB2 LEU 50 HB2 LEU 50 42.088 15.406 22.061 346 HB3 LEU 50 HB1 LEU 50 41.350 14.353 23.267 347 HG LEU 50 HG LEU 50 39.245 14.347 22.028 348 HD11 LEU 50 HD11 LEU 50 39.141 16.518 21.072 349 HD12 LEU 50 HD12 LEU 50 39.314 15.432 19.695 350 HD13 LEU 50 HD13 LEU 50 40.709 16.334 20.287 351 HD21 LEU 50 HD21 LEU 50 39.933 12.944 20.272 352 HD22 LEU 50 HD22 LEU 50 41.302 12.874 21.381 353 HD23 LEU 50 HD23 LEU 50 41.378 13.901 19.948 354 H TRP 51 HN TRP 51 39.072 18.223 22.525 355 HA TRP 51 HA TRP 51 41.073 19.582 20.877 356 HB2 TRP 51 HB2 TRP 51 39.084 19.461 19.685 357 HB3 TRP 51 HB1 TRP 51 38.089 19.695 21.122 358 HD1 TRP 51 HD1 TRP 51 40.813 21.770 19.297 359 HE1 TRP 51 HE1 TRP 51 40.012 24.219 19.197 360 HE3 TRP 51 HE3 TRP 51 36.336 21.334 21.716 361 HZ2 TRP 51 HZ2 TRP 51 37.771 25.785 20.033 362 HZ3 TRP 51 HZ3 TRP 51 34.890 23.319 22.050 363 HH2 TRP 51 HH2 TRP 51 35.602 25.542 21.213 364 H THR 52 HN THR 52 38.513 20.816 23.030 365 HA THR 52 HA THR 52 39.735 23.265 23.579 366 HB THR 52 HB THR 52 37.536 23.276 24.249 367 HG1 THR 52 HG1 THR 52 37.855 23.901 26.209 368 HG21 THR 52 HG21 THR 52 36.714 21.265 25.753 369 HG22 THR 52 HG22 THR 52 38.095 20.439 25.032 370 HG23 THR 52 HG23 THR 52 36.816 21.084 24.003 371 H VAL 53 HN VAL 53 39.851 20.221 25.416 372 HA VAL 53 HA VAL 53 41.354 21.055 27.594 373 HB VAL 53 HB VAL 53 41.340 18.411 26.128 374 HG11 VAL 53 HG11 VAL 53 42.195 17.747 28.575 375 HG12 VAL 53 HG12 VAL 53 42.883 19.369 28.498 376 HG13 VAL 53 HG13 VAL 53 43.321 18.167 27.285 377 HG21 VAL 53 HG21 VAL 53 39.976 17.758 28.134 378 HG22 VAL 53 HG22 VAL 53 39.210 19.004 27.148 379 HG23 VAL 53 HG23 VAL 53 40.013 19.443 28.654 380 H PHE 54 HN PHE 54 42.444 20.039 24.378 381 HA PHE 54 HA PHE 54 45.181 19.921 24.777 382 HB2 PHE 54 HB2 PHE 54 43.855 19.440 22.643 383 HB3 PHE 54 HB1 PHE 54 43.944 21.172 22.327 384 HD1 PHE 54 HD1 PHE 54 46.015 18.140 22.971 385 HD2 PHE 54 HD2 PHE 54 45.926 22.167 21.480 386 HE1 PHE 54 HE1 PHE 54 48.313 17.862 22.083 387 HE2 PHE 54 HE2 PHE 54 48.225 21.889 20.592 388 HZ PHE 54 HZ PHE 54 49.418 19.737 20.893 389 H ARG 55 HN ARG 55 43.165 22.769 24.123 390 HA ARG 55 HA ARG 55 45.296 24.636 23.995 391 HB2 ARG 55 HB2 ARG 55 42.334 24.829 24.419 392 HB3 ARG 55 HB1 ARG 55 43.345 26.253 24.666 393 HG2 ARG 55 HG2 ARG 55 42.508 26.151 22.344 394 HG3 ARG 55 HG1 ARG 55 44.265 26.003 22.392 395 HD2 ARG 55 HD2 ARG 55 44.164 23.633 22.066 396 HD3 ARG 55 HD1 ARG 55 42.426 23.602 22.349 397 HE ARG 55 HE ARG 55 43.727 24.175 19.867 398 HH11 ARG 55 HH21 ARG 55 41.024 24.976 21.875 399 HH12 ARG 55 HH22 ARG 55 40.009 25.453 20.555 400 HH21 ARG 55 HH11 ARG 55 42.400 24.797 18.132 401 HH22 ARG 55 HH12 ARG 55 40.787 25.351 18.436 402 H LYS 56 HN LYS 56 43.500 23.222 26.640 403 HA LYS 56 HA LYS 56 44.383 25.117 28.618 404 HB2 LYS 56 HB2 LYS 56 42.825 22.586 28.596 405 HB3 LYS 56 HB1 LYS 56 43.631 23.016 30.105 406 HG2 LYS 56 HG2 LYS 56 41.332 23.946 29.993 407 HG3 LYS 56 HG1 LYS 56 42.550 25.218 30.083 408 HD2 LYS 56 HD2 LYS 56 42.281 25.821 27.844 409 HD3 LYS 56 HD1 LYS 56 41.617 24.249 27.397 410 HE2 LYS 56 HE2 LYS 56 39.497 24.789 28.102 411 HE3 LYS 56 HE1 LYS 56 40.080 25.840 29.392 412 HZ1 LYS 56 HZ1 LYS 56 40.477 26.592 26.572 413 HZ2 LYS 56 HZ2 LYS 56 40.404 27.587 27.946 414 HZ3 LYS 56 HZ3 LYS 56 38.986 26.884 27.327 415 H LYS 57 HN LYS 57 45.564 22.111 27.292 416 HA LYS 57 HA LYS 57 47.288 21.209 29.253 417 HB2 LYS 57 HB2 LYS 57 46.789 20.435 26.732 418 HB3 LYS 57 HB1 LYS 57 48.341 21.234 26.475 419 HG2 LYS 57 HG2 LYS 57 49.007 19.058 27.017 420 HG3 LYS 57 HG1 LYS 57 49.093 19.867 28.583 421 HD2 LYS 57 HD2 LYS 57 47.818 18.079 29.238 422 HD3 LYS 57 HD1 LYS 57 46.506 19.088 28.628 423 HE2 LYS 57 HE2 LYS 57 47.876 16.769 27.270 424 HE3 LYS 57 HE1 LYS 57 46.153 17.007 27.567 425 HZ1 LYS 57 HZ1 LYS 57 47.842 18.592 25.707 426 HZ2 LYS 57 HZ2 LYS 57 46.196 18.875 26.019 427 HZ3 LYS 57 HZ3 LYS 57 46.685 17.433 25.264 428 H GLY 58 HN GLY 58 47.604 23.986 27.148 429 HA2 GLY 58 HA2 GLY 58 49.192 25.649 26.998 430 HA3 GLY 58 HA1 GLY 58 49.394 25.388 28.728 431 H HIS 59 HN HIS 59 50.051 23.035 26.181 432 HA HIS 59 HA HIS 59 51.960 21.870 25.650 433 HB2 HIS 59 HB2 HIS 59 53.186 24.577 26.223 434 HB3 HIS 59 HB1 HIS 59 54.024 23.243 25.430 435 HD2 HIS 59 HD2 HIS 59 50.472 23.195 24.156 436 HE1 HIS 59 HE1 HIS 59 52.568 25.664 21.447 437 HE2 HIS 59 HE2 HIS 59 50.405 24.392 21.836 438 H HIS 60 HN HIS 60 54.123 21.133 26.497 439 HA HIS 60 HA HIS 60 55.406 20.242 28.182 440 HB2 HIS 60 HB2 HIS 60 55.216 22.851 28.827 441 HB3 HIS 60 HB1 HIS 60 54.410 22.145 30.228 442 HD2 HIS 60 HD2 HIS 60 56.104 20.719 31.977 443 HE1 HIS 60 HE1 HIS 60 59.667 21.317 29.794 444 HE2 HIS 60 HE2 HIS 60 58.702 20.448 31.976 445 H HIS 61 HN HIS 61 55.055 18.482 29.394 446 HA HIS 61 HA HIS 61 52.326 17.958 30.311 447 HB2 HIS 61 HB2 HIS 61 54.753 16.146 30.255 448 HB3 HIS 61 HB1 HIS 61 53.097 15.654 30.611 449 HD2 HIS 61 HD2 HIS 61 51.710 17.414 28.076 450 HE1 HIS 61 HE1 HIS 61 54.128 14.918 25.680 451 HE2 HIS 61 HE2 HIS 61 52.127 16.482 25.673 452 H HIS 62 HN HIS 62 51.744 17.654 32.420 453 HA HIS 62 HA HIS 62 53.619 18.647 34.429 454 HB2 HIS 62 HB2 HIS 62 51.266 19.488 34.317 455 HB3 HIS 62 HB1 HIS 62 50.712 17.871 34.751 456 HD2 HIS 62 HD2 HIS 62 50.765 17.353 37.483 457 HE1 HIS 62 HE1 HIS 62 53.030 20.719 38.652 458 HE2 HIS 62 HE2 HIS 62 51.715 18.717 39.496 459 H HIS 63 HN HIS 63 54.663 17.388 35.839 460 HA HIS 63 HA HIS 63 53.613 14.869 36.750 461 HB2 HIS 63 HB2 HIS 63 54.497 14.174 34.563 462 HB3 HIS 63 HB1 HIS 63 56.070 14.852 34.980 463 HD2 HIS 63 HD2 HIS 63 57.032 12.076 34.864 464 HE1 HIS 63 HE1 HIS 63 55.248 11.025 38.543 465 HE2 HIS 63 HE2 HIS 63 56.915 10.297 36.772 466 H HIS 64 HN HIS 64 54.213 17.025 38.238 467 HA HIS 64 HA HIS 64 56.707 17.549 39.192 468 HB2 HIS 64 HB2 HIS 64 54.200 18.137 40.052 469 HB3 HIS 64 HB1 HIS 64 54.730 17.043 41.329 470 HD2 HIS 64 HD2 HIS 64 56.877 18.020 42.924 471 HE1 HIS 64 HE1 HIS 64 57.039 21.844 41.140 472 HE2 HIS 64 HE2 HIS 64 57.885 20.424 43.069 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 61.446 -33.063 -12.551 2 H2 MET 1 HT2 MET 1 60.760 -33.378 -11.029 3 H3 MET 1 HT3 MET 1 62.360 -32.818 -11.144 4 HA MET 1 HA MET 1 59.903 -31.308 -11.851 5 HB2 MET 1 HB2 MET 1 61.905 -31.149 -9.590 6 HB3 MET 1 HB1 MET 1 60.840 -29.805 -10.001 7 HG2 MET 1 HG2 MET 1 58.976 -30.863 -9.206 8 HG3 MET 1 HG1 MET 1 59.527 -32.451 -9.740 9 HE1 MET 1 HE1 MET 1 59.254 -33.935 -6.970 10 HE2 MET 1 HE2 MET 1 58.180 -32.821 -7.812 11 HE3 MET 1 HE3 MET 1 58.580 -32.538 -6.119 12 H GLU 2 HN GLU 2 60.567 -30.679 -13.905 13 HA GLU 2 HA GLU 2 63.218 -29.627 -14.374 14 HB2 GLU 2 HB2 GLU 2 61.711 -30.834 -16.073 15 HB3 GLU 2 HB1 GLU 2 60.845 -29.303 -16.203 16 HG2 GLU 2 HG2 GLU 2 63.424 -28.444 -16.410 17 HG3 GLU 2 HG1 GLU 2 63.544 -30.030 -17.168 18 H GLU 3 HN GLU 3 62.751 -28.091 -12.441 19 HA GLU 3 HA GLU 3 61.075 -25.941 -12.431 20 HB2 GLU 3 HB2 GLU 3 64.003 -26.059 -11.693 21 HB3 GLU 3 HB1 GLU 3 62.979 -24.665 -11.351 22 HG2 GLU 3 HG2 GLU 3 61.430 -26.129 -10.085 23 HG3 GLU 3 HG1 GLU 3 62.495 -27.500 -10.392 24 H GLY 4 HN GLY 4 61.281 -23.727 -13.127 25 HA2 GLY 4 HA2 GLY 4 62.487 -23.534 -15.805 26 HA3 GLY 4 HA1 GLY 4 61.207 -22.500 -15.175 27 H GLY 5 HN GLY 5 63.190 -22.722 -12.646 28 HA2 GLY 5 HA2 GLY 5 65.542 -21.417 -13.029 29 HA3 GLY 5 HA1 GLY 5 64.356 -20.118 -13.105 30 H ASP 6 HN ASP 6 66.328 -21.874 -11.071 31 HA ASP 6 HA ASP 6 64.735 -21.958 -8.712 32 HB2 ASP 6 HB2 ASP 6 66.979 -23.196 -9.336 33 HB3 ASP 6 HB1 ASP 6 67.717 -21.776 -8.598 34 H PHE 7 HN PHE 7 64.497 -19.419 -9.913 35 HA PHE 7 HA PHE 7 65.168 -17.747 -7.657 36 HB2 PHE 7 HB2 PHE 7 66.993 -16.723 -8.454 37 HB3 PHE 7 HB1 PHE 7 67.009 -17.865 -9.799 38 HD1 PHE 7 HD1 PHE 7 65.884 -14.528 -8.675 39 HD2 PHE 7 HD2 PHE 7 66.136 -17.263 -11.979 40 HE1 PHE 7 HE1 PHE 7 65.277 -12.699 -10.237 41 HE2 PHE 7 HE2 PHE 7 65.529 -15.434 -13.539 42 HZ PHE 7 HZ PHE 7 65.099 -13.152 -12.669 43 H ASP 8 HN ASP 8 63.788 -18.192 -10.839 44 HA ASP 8 HA ASP 8 62.485 -15.755 -11.207 45 HB2 ASP 8 HB2 ASP 8 62.262 -18.466 -12.252 46 HB3 ASP 8 HB1 ASP 8 60.700 -17.653 -12.168 47 H ASN 9 HN ASN 9 61.407 -14.792 -9.576 48 HA ASN 9 HA ASN 9 58.941 -16.016 -8.661 49 HB2 ASN 9 HB2 ASN 9 61.222 -16.374 -7.095 50 HB3 ASN 9 HB1 ASN 9 60.374 -15.030 -6.335 51 HD21 ASN 9 HD21 ASN 9 58.304 -15.456 -5.351 52 HD22 ASN 9 HD22 ASN 9 57.690 -17.029 -5.183 53 H TYR 10 HN TYR 10 60.025 -13.600 -10.123 54 HA TYR 10 HA TYR 10 59.370 -11.411 -10.373 55 HB2 TYR 10 HB2 TYR 10 57.613 -11.538 -7.960 56 HB3 TYR 10 HB1 TYR 10 57.325 -10.767 -9.520 57 HD1 TYR 10 HD2 TYR 10 57.890 -12.888 -11.442 58 HD2 TYR 10 HD1 TYR 10 55.888 -13.101 -7.647 59 HE1 TYR 10 HE2 TYR 10 56.651 -14.896 -12.208 60 HE2 TYR 10 HE1 TYR 10 54.650 -15.108 -8.413 61 HH TYR 10 HH TYR 10 54.349 -16.567 -10.052 62 H TYR 11 HN TYR 11 59.199 -11.937 -6.845 63 HA TYR 11 HA TYR 11 60.382 -10.999 -5.111 64 HB2 TYR 11 HB2 TYR 11 62.287 -11.506 -6.989 65 HB3 TYR 11 HB1 TYR 11 62.454 -9.760 -6.809 66 HD1 TYR 11 HD2 TYR 11 62.613 -13.012 -5.060 67 HD2 TYR 11 HD1 TYR 11 63.208 -8.770 -4.728 68 HE1 TYR 11 HE2 TYR 11 63.814 -13.347 -2.916 69 HE2 TYR 11 HE1 TYR 11 64.410 -9.106 -2.585 70 HH TYR 11 HH TYR 11 64.227 -11.317 -0.704 71 H GLY 12 HN GLY 12 59.978 -9.158 -4.040 72 HA2 GLY 12 HA2 GLY 12 59.048 -7.061 -3.705 73 HA3 GLY 12 HA1 GLY 12 60.404 -6.559 -4.709 74 H ALA 13 HN ALA 13 57.444 -8.396 -5.463 75 HA ALA 13 HA ALA 13 57.041 -6.821 -7.865 76 HB1 ALA 13 HB1 ALA 13 54.992 -8.751 -6.875 77 HB2 ALA 13 HB2 ALA 13 56.554 -9.391 -7.389 78 HB3 ALA 13 HB3 ALA 13 55.565 -8.463 -8.518 79 H ASP 14 HN ASP 14 55.874 -6.883 -4.606 80 HA ASP 14 HA ASP 14 53.364 -5.700 -4.853 81 HB2 ASP 14 HB2 ASP 14 53.572 -5.074 -2.569 82 HB3 ASP 14 HB1 ASP 14 54.488 -6.570 -2.741 83 H ASN 15 HN ASN 15 56.569 -4.291 -5.069 84 HA ASN 15 HA ASN 15 56.187 -1.621 -4.710 85 HB2 ASN 15 HB2 ASN 15 58.033 -3.249 -6.164 86 HB3 ASN 15 HB1 ASN 15 57.610 -1.857 -7.158 87 HD21 ASN 15 HD21 ASN 15 58.086 0.305 -6.282 88 HD22 ASN 15 HD22 ASN 15 59.182 0.497 -4.999 89 H GLN 16 HN GLN 16 55.310 -3.475 -7.611 90 HA GLN 16 HA GLN 16 53.988 -1.110 -8.738 91 HB2 GLN 16 HB2 GLN 16 54.198 -3.843 -10.001 92 HB3 GLN 16 HB1 GLN 16 53.910 -2.294 -10.794 93 HG2 GLN 16 HG2 GLN 16 56.229 -1.651 -9.720 94 HG3 GLN 16 HG1 GLN 16 56.462 -3.398 -9.669 95 HE21 GLN 16 HE21 GLN 16 57.050 -0.755 -11.610 96 HE22 GLN 16 HE22 GLN 16 57.092 -1.528 -13.119 97 H SER 17 HN SER 17 52.791 -2.085 -6.417 98 HA SER 17 HA SER 17 50.207 -2.978 -7.497 99 HB2 SER 17 HB2 SER 17 51.513 -4.941 -6.550 100 HB3 SER 17 HB1 SER 17 51.379 -4.160 -4.976 101 HG SER 17 HG SER 17 49.254 -4.939 -6.697 102 H GLU 18 HN GLU 18 48.846 -3.181 -5.100 103 HA GLU 18 HA GLU 18 47.934 -0.681 -4.553 104 HB2 GLU 18 HB2 GLU 18 46.881 -2.681 -3.634 105 HB3 GLU 18 HB1 GLU 18 48.257 -2.936 -2.559 106 HG2 GLU 18 HG2 GLU 18 47.789 -0.931 -1.337 107 HG3 GLU 18 HG1 GLU 18 46.613 -0.398 -2.536 108 H CYS 19 HN CYS 19 49.431 0.956 -4.437 109 HA CYS 19 HA CYS 19 50.871 1.171 -1.903 110 HB2 CYS 19 HB2 CYS 19 52.385 0.147 -3.729 111 HB3 CYS 19 HB1 CYS 19 52.356 1.754 -4.455 112 HG CYS 19 HG CYS 19 53.986 0.985 -2.043 113 H GLU 20 HN GLU 20 49.311 2.796 -1.472 114 HA GLU 20 HA GLU 20 48.553 4.961 -1.372 115 HB2 GLU 20 HB2 GLU 20 51.015 5.720 -2.946 116 HB3 GLU 20 HB1 GLU 20 50.115 6.703 -1.789 117 HG2 GLU 20 HG2 GLU 20 51.702 4.200 -1.149 118 HG3 GLU 20 HG1 GLU 20 52.164 5.853 -0.746 119 H TYR 21 HN TYR 21 48.526 3.180 -4.023 120 HA TYR 21 HA TYR 21 47.658 5.310 -5.863 121 HB2 TYR 21 HB2 TYR 21 48.301 2.389 -6.322 122 HB3 TYR 21 HB1 TYR 21 47.683 3.473 -7.568 123 HD1 TYR 21 HD2 TYR 21 48.988 5.792 -7.756 124 HD2 TYR 21 HD1 TYR 21 50.619 2.174 -6.111 125 HE1 TYR 21 HE2 TYR 21 51.282 6.637 -8.172 126 HE2 TYR 21 HE1 TYR 21 52.911 3.019 -6.527 127 HH TYR 21 HH TYR 21 54.125 4.864 -7.041 128 H THR 22 HN THR 22 45.985 4.773 -3.675 129 HA THR 22 HA THR 22 43.489 4.485 -4.879 130 HB THR 22 HB THR 22 43.711 2.218 -5.327 131 HG1 THR 22 HG1 THR 22 42.095 1.619 -4.157 132 HG21 THR 22 HG21 THR 22 45.550 2.288 -2.993 133 HG22 THR 22 HG22 THR 22 45.733 1.474 -4.547 134 HG23 THR 22 HG23 THR 22 44.713 0.767 -3.295 135 H ASP 23 HN ASP 23 45.360 3.761 -1.966 136 HA ASP 23 HA ASP 23 43.411 3.946 -0.018 137 HB2 ASP 23 HB2 ASP 23 46.303 4.238 -0.141 138 HB3 ASP 23 HB1 ASP 23 45.588 5.287 1.082 139 H TRP 24 HN TRP 24 44.330 6.341 -2.221 140 HA TRP 24 HA TRP 24 42.663 8.300 -0.844 141 HB2 TRP 24 HB2 TRP 24 44.283 10.042 -0.803 142 HB3 TRP 24 HB1 TRP 24 45.068 8.636 -0.083 143 HD1 TRP 24 HD1 TRP 24 46.630 7.152 -1.834 144 HE1 TRP 24 HE1 TRP 24 48.162 7.999 -3.727 145 HE3 TRP 24 HE3 TRP 24 44.693 11.828 -2.513 146 HZ2 TRP 24 HZ2 TRP 24 48.520 10.348 -5.319 147 HZ3 TRP 24 HZ3 TRP 24 45.648 13.348 -4.223 148 HH2 TRP 24 HH2 TRP 24 47.557 12.613 -5.624 149 H LYS 25 HN LYS 25 44.815 7.734 -3.631 150 HA LYS 25 HA LYS 25 44.667 8.493 -5.810 151 HB2 LYS 25 HB2 LYS 25 42.619 6.711 -5.170 152 HB3 LYS 25 HB1 LYS 25 41.807 8.013 -6.041 153 HG2 LYS 25 HG2 LYS 25 42.530 6.460 -7.707 154 HG3 LYS 25 HG1 LYS 25 43.653 7.816 -7.792 155 HD2 LYS 25 HD2 LYS 25 44.796 6.157 -5.879 156 HD3 LYS 25 HD1 LYS 25 44.162 5.027 -7.075 157 HE2 LYS 25 HE2 LYS 25 46.370 5.583 -7.807 158 HE3 LYS 25 HE1 LYS 25 45.271 6.484 -8.851 159 HZ1 LYS 25 HZ1 LYS 25 47.055 7.891 -8.055 160 HZ2 LYS 25 HZ2 LYS 25 46.645 7.549 -6.443 161 HZ3 LYS 25 HZ3 LYS 25 45.569 8.419 -7.430 162 H SER 26 HN SER 26 42.543 9.566 -7.255 163 HA SER 26 HA SER 26 41.393 11.832 -5.929 164 HB2 SER 26 HB2 SER 26 43.585 12.453 -7.911 165 HB3 SER 26 HB1 SER 26 42.668 13.591 -6.927 166 HG SER 26 HG SER 26 44.888 12.817 -6.226 167 H SER 27 HN SER 27 39.508 12.046 -6.936 168 HA SER 27 HA SER 27 39.057 10.971 -9.564 169 HB2 SER 27 HB2 SER 27 37.332 10.951 -7.771 170 HB3 SER 27 HB1 SER 27 37.246 12.708 -7.872 171 HG SER 27 HG SER 27 36.560 12.509 -10.000 172 H GLY 28 HN GLY 28 40.614 13.676 -8.660 173 HA2 GLY 28 HA2 GLY 28 41.201 14.970 -10.819 174 HA3 GLY 28 HA1 GLY 28 39.489 15.384 -10.784 175 H ALA 29 HN ALA 29 41.644 15.063 -7.999 176 HA ALA 29 HA ALA 29 42.485 16.637 -6.531 177 HB1 ALA 29 HB1 ALA 29 42.938 18.752 -7.275 178 HB2 ALA 29 HB2 ALA 29 41.344 18.952 -8.003 179 HB3 ALA 29 HB3 ALA 29 42.581 18.011 -8.836 180 H LEU 30 HN LEU 30 39.547 15.679 -6.893 181 HA LEU 30 HA LEU 30 38.224 17.723 -5.234 182 HB2 LEU 30 HB2 LEU 30 37.307 15.694 -7.176 183 HB3 LEU 30 HB1 LEU 30 36.286 15.892 -5.750 184 HG LEU 30 HG LEU 30 36.134 18.301 -6.156 185 HD11 LEU 30 HD11 LEU 30 37.085 18.830 -8.644 186 HD12 LEU 30 HD12 LEU 30 38.277 17.649 -8.102 187 HD13 LEU 30 HD13 LEU 30 38.011 19.123 -7.172 188 HD21 LEU 30 HD21 LEU 30 35.537 16.509 -8.523 189 HD22 LEU 30 HD22 LEU 30 35.009 18.189 -8.449 190 HD23 LEU 30 HD23 LEU 30 34.427 17.029 -7.256 191 H ILE 31 HN ILE 31 40.086 15.088 -4.775 192 HA ILE 31 HA ILE 31 38.547 13.665 -2.817 193 HB ILE 31 HB ILE 31 41.171 13.418 -4.077 194 HG12 ILE 31 HG12 ILE 31 40.649 11.040 -3.785 195 HG13 ILE 31 HG11 ILE 31 39.323 11.452 -2.698 196 HG21 ILE 31 HG21 ILE 31 42.148 12.088 -2.187 197 HG22 ILE 31 HG22 ILE 31 40.891 12.725 -1.132 198 HG23 ILE 31 HG23 ILE 31 42.079 13.816 -1.854 199 HD11 ILE 31 HD11 ILE 31 39.212 12.872 -5.268 200 HD12 ILE 31 HD12 ILE 31 37.941 12.002 -4.409 201 HD13 ILE 31 HD13 ILE 31 39.081 11.120 -5.425 202 HA PRO 32 HA PRO 32 41.530 16.216 0.136 203 HB2 PRO 32 HB2 PRO 32 41.420 18.804 -1.316 204 HB3 PRO 32 HB1 PRO 32 42.783 18.033 -0.485 205 HG2 PRO 32 HG2 PRO 32 42.636 18.139 -3.148 206 HG3 PRO 32 HG1 PRO 32 43.342 16.753 -2.300 207 HD2 PRO 32 HD2 PRO 32 40.672 16.990 -3.631 208 HD3 PRO 32 HD1 PRO 32 41.756 15.587 -3.517 209 H ALA 33 HN ALA 33 38.917 17.677 -1.745 210 HA ALA 33 HA ALA 33 37.859 19.216 0.438 211 HB1 ALA 33 HB1 ALA 33 37.503 19.830 -1.940 212 HB2 ALA 33 HB2 ALA 33 35.986 19.661 -1.056 213 HB3 ALA 33 HB3 ALA 33 36.520 18.381 -2.145 214 H ILE 34 HN ILE 34 36.451 16.469 -1.363 215 HA ILE 34 HA ILE 34 34.385 15.874 0.375 216 HB ILE 34 HB ILE 34 36.024 14.168 -1.480 217 HG12 ILE 34 HG12 ILE 34 33.069 14.517 -1.641 218 HG13 ILE 34 HG11 ILE 34 34.057 15.939 -1.980 219 HG21 ILE 34 HG21 ILE 34 35.449 12.535 0.109 220 HG22 ILE 34 HG22 ILE 34 34.101 12.465 -1.026 221 HG23 ILE 34 HG23 ILE 34 33.921 13.324 0.504 222 HD11 ILE 34 HD11 ILE 34 35.093 14.944 -3.824 223 HD12 ILE 34 HD12 ILE 34 33.456 14.295 -3.938 224 HD13 ILE 34 HD13 ILE 34 34.752 13.310 -3.258 225 H TYR 35 HN TYR 35 37.789 15.063 0.626 226 HA TYR 35 HA TYR 35 37.439 13.227 2.821 227 HB2 TYR 35 HB2 TYR 35 39.357 12.923 1.399 228 HB3 TYR 35 HB1 TYR 35 39.881 14.586 1.663 229 HD1 TYR 35 HD2 TYR 35 40.649 15.308 3.940 230 HD2 TYR 35 HD1 TYR 35 39.838 11.198 2.989 231 HE1 TYR 35 HE2 TYR 35 41.915 14.594 5.949 232 HE2 TYR 35 HE1 TYR 35 41.103 10.484 4.998 233 HH TYR 35 HH TYR 35 43.207 12.373 6.613 234 H MET 36 HN MET 36 37.883 16.653 2.440 235 HA MET 36 HA MET 36 38.786 17.179 5.109 236 HB2 MET 36 HB2 MET 36 39.229 18.769 3.311 237 HB3 MET 36 HB1 MET 36 37.499 18.996 3.058 238 HG2 MET 36 HG2 MET 36 37.324 20.420 4.807 239 HG3 MET 36 HG1 MET 36 38.295 19.382 5.851 240 HE1 MET 36 HE1 MET 36 40.503 18.808 5.296 241 HE2 MET 36 HE2 MET 36 41.356 20.109 6.124 242 HE3 MET 36 HE3 MET 36 41.719 19.761 4.435 243 H LEU 37 HN LEU 37 35.655 16.994 3.514 244 HA LEU 37 HA LEU 37 34.174 18.067 5.732 245 HB2 LEU 37 HB2 LEU 37 33.145 16.356 3.460 246 HB3 LEU 37 HB1 LEU 37 32.212 17.450 4.480 247 HG LEU 37 HG LEU 37 34.440 18.271 2.593 248 HD11 LEU 37 HD11 LEU 37 31.774 17.637 2.035 249 HD12 LEU 37 HD12 LEU 37 32.858 18.579 1.011 250 HD13 LEU 37 HD13 LEU 37 31.789 19.397 2.150 251 HD21 LEU 37 HD21 LEU 37 34.496 19.886 4.280 252 HD22 LEU 37 HD22 LEU 37 32.776 19.722 4.632 253 HD23 LEU 37 HD23 LEU 37 33.301 20.575 3.181 254 H VAL 38 HN VAL 38 36.024 15.728 6.154 255 HA VAL 38 HA VAL 38 34.110 14.110 7.677 256 HB VAL 38 HB VAL 38 36.200 12.914 5.840 257 HG11 VAL 38 HG11 VAL 38 36.070 11.213 7.332 258 HG12 VAL 38 HG12 VAL 38 34.474 10.919 6.643 259 HG13 VAL 38 HG13 VAL 38 34.638 11.886 8.109 260 HG21 VAL 38 HG21 VAL 38 33.182 13.108 5.687 261 HG22 VAL 38 HG22 VAL 38 34.112 11.944 4.743 262 HG23 VAL 38 HG23 VAL 38 34.360 13.673 4.501 263 H PHE 39 HN PHE 39 36.337 16.139 8.095 264 HA PHE 39 HA PHE 39 38.107 14.513 9.815 265 HB2 PHE 39 HB2 PHE 39 39.382 15.779 8.223 266 HB3 PHE 39 HB1 PHE 39 38.473 17.247 8.577 267 HD1 PHE 39 HD2 PHE 39 40.755 14.719 10.108 268 HD2 PHE 39 HD1 PHE 39 39.132 18.690 10.330 269 HE1 PHE 39 HE2 PHE 39 42.349 15.269 11.927 270 HE2 PHE 39 HE1 PHE 39 40.726 19.240 12.149 271 HZ PHE 39 HZ PHE 39 42.334 17.530 12.947 272 H LEU 40 HN LEU 40 36.097 17.420 9.690 273 HA LEU 40 HA LEU 40 36.469 18.051 12.474 274 HB2 LEU 40 HB2 LEU 40 34.683 19.717 12.080 275 HB3 LEU 40 HB1 LEU 40 35.956 19.820 10.866 276 HG LEU 40 HG LEU 40 34.228 17.975 9.753 277 HD11 LEU 40 HD11 LEU 40 32.625 18.593 11.636 278 HD12 LEU 40 HD12 LEU 40 31.987 18.786 10.003 279 HD13 LEU 40 HD13 LEU 40 32.529 20.198 10.909 280 HD21 LEU 40 HD21 LEU 40 34.364 20.989 9.435 281 HD22 LEU 40 HD22 LEU 40 33.537 19.917 8.304 282 HD23 LEU 40 HD23 LEU 40 35.281 19.785 8.529 283 H LEU 41 HN LEU 41 34.864 15.608 10.959 284 HA LEU 41 HA LEU 41 32.949 15.343 13.192 285 HB2 LEU 41 HB2 LEU 41 31.238 14.578 11.754 286 HB3 LEU 41 HB1 LEU 41 31.913 15.986 10.940 287 HG LEU 41 HG LEU 41 33.500 14.023 9.917 288 HD11 LEU 41 HD11 LEU 41 31.868 12.404 11.204 289 HD12 LEU 41 HD12 LEU 41 32.331 12.026 9.546 290 HD13 LEU 41 HD13 LEU 41 30.767 12.767 9.878 291 HD21 LEU 41 HD21 LEU 41 32.490 15.613 8.488 292 HD22 LEU 41 HD22 LEU 41 30.863 15.172 9.007 293 HD23 LEU 41 HD23 LEU 41 31.787 14.077 7.979 294 H GLY 42 HN GLY 42 35.297 13.905 11.101 295 HA2 GLY 42 HA2 GLY 42 34.757 11.169 11.575 296 HA3 GLY 42 HA1 GLY 42 36.305 11.838 11.070 297 H THR 43 HN THR 43 36.318 13.630 13.480 298 HA THR 43 HA THR 43 36.705 11.667 15.634 299 HB THR 43 HB THR 43 38.880 13.107 16.106 300 HG1 THR 43 HG1 THR 43 39.311 13.047 13.429 301 HG21 THR 43 HG21 THR 43 38.701 10.917 14.018 302 HG22 THR 43 HG22 THR 43 38.832 10.679 15.761 303 HG23 THR 43 HG23 THR 43 40.172 11.396 14.865 304 H THR 44 HN THR 44 37.256 15.133 14.960 305 HA THR 44 HA THR 44 36.796 16.143 17.481 306 HB THR 44 HB THR 44 36.291 17.259 14.736 307 HG1 THR 44 HG1 THR 44 38.135 17.550 16.830 308 HG21 THR 44 HG21 THR 44 34.597 18.398 15.899 309 HG22 THR 44 HG22 THR 44 35.984 19.476 16.062 310 HG23 THR 44 HG23 THR 44 35.522 18.427 17.402 311 H GLY 45 HN GLY 45 34.495 14.889 15.187 312 HA2 GLY 45 HA2 GLY 45 32.135 16.031 16.264 313 HA3 GLY 45 HA1 GLY 45 32.217 14.571 15.282 314 H ASN 46 HN ASN 46 34.091 13.275 17.170 315 HA ASN 46 HA ASN 46 33.807 11.640 18.785 316 HB2 ASN 46 HB2 ASN 46 34.299 13.893 19.973 317 HB3 ASN 46 HB1 ASN 46 32.602 13.836 20.447 318 HD21 ASN 46 HD21 ASN 46 35.698 12.842 21.390 319 HD22 ASN 46 HD22 ASN 46 35.245 11.616 22.473 320 H GLY 47 HN GLY 47 32.194 10.359 17.827 321 HA2 GLY 47 HA2 GLY 47 30.130 9.361 19.014 322 HA3 GLY 47 HA1 GLY 47 29.411 10.922 18.626 323 H LEU 48 HN LEU 48 30.851 11.130 16.075 324 HA LEU 48 HA LEU 48 28.929 9.924 14.387 325 HB2 LEU 48 HB2 LEU 48 31.354 11.563 14.076 326 HB3 LEU 48 HB1 LEU 48 31.031 10.487 12.719 327 HG LEU 48 HG LEU 48 29.952 12.754 12.515 328 HD11 LEU 48 HD11 LEU 48 28.509 11.663 11.182 329 HD12 LEU 48 HD12 LEU 48 27.525 11.242 12.584 330 HD13 LEU 48 HD13 LEU 48 28.823 10.169 12.064 331 HD21 LEU 48 HD21 LEU 48 27.813 11.979 14.406 332 HD22 LEU 48 HD22 LEU 48 28.513 13.565 14.086 333 HD23 LEU 48 HD23 LEU 48 29.342 12.437 15.156 334 H VAL 49 HN VAL 49 32.428 9.251 14.656 335 HA VAL 49 HA VAL 49 32.396 6.910 13.096 336 HB VAL 49 HB VAL 49 34.471 8.080 13.602 337 HG11 VAL 49 HG11 VAL 49 34.983 8.763 15.687 338 HG12 VAL 49 HG12 VAL 49 34.866 7.114 16.304 339 HG13 VAL 49 HG13 VAL 49 33.425 8.127 16.216 340 HG21 VAL 49 HG21 VAL 49 35.759 6.172 13.702 341 HG22 VAL 49 HG22 VAL 49 34.189 5.407 13.457 342 HG23 VAL 49 HG23 VAL 49 34.871 5.521 15.079 343 H LEU 50 HN LEU 50 31.276 7.499 16.274 344 HA LEU 50 HA LEU 50 31.387 4.658 17.010 345 HB2 LEU 50 HB2 LEU 50 30.427 7.036 18.619 346 HB3 LEU 50 HB1 LEU 50 30.673 5.397 19.221 347 HG LEU 50 HG LEU 50 33.070 6.178 17.900 348 HD11 LEU 50 HD11 LEU 50 33.700 8.177 19.158 349 HD12 LEU 50 HD12 LEU 50 32.126 8.200 19.956 350 HD13 LEU 50 HD13 LEU 50 32.242 8.510 18.223 351 HD21 LEU 50 HD21 LEU 50 32.916 4.594 19.761 352 HD22 LEU 50 HD22 LEU 50 32.347 5.872 20.833 353 HD23 LEU 50 HD23 LEU 50 33.993 5.917 20.203 354 H TRP 51 HN TRP 51 29.374 6.709 15.355 355 HA TRP 51 HA TRP 51 26.872 5.557 16.345 356 HB2 TRP 51 HB2 TRP 51 26.320 7.705 15.861 357 HB3 TRP 51 HB1 TRP 51 27.640 7.891 14.707 358 HD1 TRP 51 HD1 TRP 51 24.106 6.404 14.977 359 HE1 TRP 51 HE1 TRP 51 23.103 6.252 12.606 360 HE3 TRP 51 HE3 TRP 51 28.152 7.840 12.212 361 HZ2 TRP 51 HZ2 TRP 51 23.910 6.682 9.896 362 HZ3 TRP 51 HZ3 TRP 51 28.008 7.960 9.741 363 HH2 TRP 51 HH2 TRP 51 25.893 7.384 8.581 364 H THR 52 HN THR 52 28.523 5.915 13.197 365 HA THR 52 HA THR 52 26.906 4.283 11.662 366 HB THR 52 HB THR 52 28.497 5.301 10.361 367 HG1 THR 52 HG1 THR 52 30.317 3.525 10.228 368 HG21 THR 52 HG21 THR 52 30.290 4.803 12.714 369 HG22 THR 52 HG22 THR 52 29.917 6.322 11.898 370 HG23 THR 52 HG23 THR 52 31.005 5.158 11.143 371 H VAL 53 HN VAL 53 29.728 3.330 13.615 372 HA VAL 53 HA VAL 53 29.693 0.591 12.993 373 HB VAL 53 HB VAL 53 30.638 2.075 15.450 374 HG11 VAL 53 HG11 VAL 53 31.974 -0.158 15.716 375 HG12 VAL 53 HG12 VAL 53 30.672 -0.853 14.749 376 HG13 VAL 53 HG13 VAL 53 30.309 -0.088 16.297 377 HG21 VAL 53 HG21 VAL 53 32.865 1.538 14.439 378 HG22 VAL 53 HG22 VAL 53 31.876 2.567 13.403 379 HG23 VAL 53 HG23 VAL 53 32.031 0.846 13.048 380 H PHE 54 HN PHE 54 27.739 2.496 15.161 381 HA PHE 54 HA PHE 54 26.769 0.549 16.902 382 HB2 PHE 54 HB2 PHE 54 26.310 3.142 16.718 383 HB3 PHE 54 HB1 PHE 54 24.896 2.608 15.808 384 HD1 PHE 54 HD1 PHE 54 26.707 2.139 19.039 385 HD2 PHE 54 HD2 PHE 54 22.997 1.735 16.913 386 HE1 PHE 54 HE1 PHE 54 25.553 1.569 21.159 387 HE2 PHE 54 HE2 PHE 54 21.843 1.165 19.033 388 HZ PHE 54 HZ PHE 54 23.122 1.081 21.157 389 H ARG 55 HN ARG 55 25.832 1.305 13.587 390 HA ARG 55 HA ARG 55 23.737 -0.745 13.649 391 HB2 ARG 55 HB2 ARG 55 24.566 1.133 11.422 392 HB3 ARG 55 HB1 ARG 55 23.148 0.084 11.424 393 HG2 ARG 55 HG2 ARG 55 22.082 1.909 12.266 394 HG3 ARG 55 HG1 ARG 55 22.817 1.412 13.791 395 HD2 ARG 55 HD2 ARG 55 24.829 2.825 13.144 396 HD3 ARG 55 HD1 ARG 55 23.851 3.471 11.830 397 HE ARG 55 HE ARG 55 23.645 4.169 14.605 398 HH11 ARG 55 HH21 ARG 55 21.888 3.721 11.657 399 HH12 ARG 55 HH22 ARG 55 20.628 4.831 12.078 400 HH21 ARG 55 HH11 ARG 55 21.995 5.626 15.164 401 HH22 ARG 55 HH12 ARG 55 20.688 5.909 14.063 402 H LYS 56 HN LYS 56 26.858 -0.051 12.154 403 HA LYS 56 HA LYS 56 26.962 -2.127 10.290 404 HB2 LYS 56 HB2 LYS 56 28.651 -0.156 10.935 405 HB3 LYS 56 HB1 LYS 56 29.442 -1.474 11.800 406 HG2 LYS 56 HG2 LYS 56 30.429 -1.648 9.694 407 HG3 LYS 56 HG1 LYS 56 29.088 -2.785 9.546 408 HD2 LYS 56 HD2 LYS 56 28.699 -1.563 7.637 409 HD3 LYS 56 HD1 LYS 56 27.815 -0.547 8.777 410 HE2 LYS 56 HE2 LYS 56 29.207 0.963 7.590 411 HE3 LYS 56 HE1 LYS 56 30.041 0.701 9.122 412 HZ1 LYS 56 HZ1 LYS 56 31.510 -0.831 8.105 413 HZ2 LYS 56 HZ2 LYS 56 31.470 0.540 7.103 414 HZ3 LYS 56 HZ3 LYS 56 30.612 -0.860 6.667 415 H LYS 57 HN LYS 57 26.574 -2.389 13.581 416 HA LYS 57 HA LYS 57 28.188 -4.421 14.481 417 HB2 LYS 57 HB2 LYS 57 25.579 -3.362 15.167 418 HB3 LYS 57 HB1 LYS 57 25.640 -5.105 15.421 419 HG2 LYS 57 HG2 LYS 57 27.768 -3.202 16.437 420 HG3 LYS 57 HG1 LYS 57 26.393 -3.730 17.407 421 HD2 LYS 57 HD2 LYS 57 27.377 -5.706 17.854 422 HD3 LYS 57 HD1 LYS 57 27.687 -5.997 16.142 423 HE2 LYS 57 HE2 LYS 57 29.765 -5.847 17.592 424 HE3 LYS 57 HE1 LYS 57 29.737 -4.745 16.216 425 HZ1 LYS 57 HZ1 LYS 57 28.514 -3.314 18.146 426 HZ2 LYS 57 HZ2 LYS 57 30.158 -3.185 17.733 427 HZ3 LYS 57 HZ3 LYS 57 29.680 -4.165 19.036 428 H GLY 58 HN GLY 58 25.144 -4.784 12.663 429 HA2 GLY 58 HA2 GLY 58 24.384 -6.483 11.307 430 HA3 GLY 58 HA1 GLY 58 26.054 -7.034 11.197 431 H HIS 59 HN HIS 59 24.992 -6.741 14.397 432 HA HIS 59 HA HIS 59 24.744 -9.668 14.602 433 HB2 HIS 59 HB2 HIS 59 25.719 -7.512 16.393 434 HB3 HIS 59 HB1 HIS 59 24.874 -8.853 17.168 435 HD2 HIS 59 HD2 HIS 59 28.109 -8.306 14.950 436 HE1 HIS 59 HE1 HIS 59 28.308 -12.135 16.716 437 HE2 HIS 59 HE2 HIS 59 29.574 -10.436 15.315 438 H HIS 60 HN HIS 60 23.032 -6.671 15.138 439 HA HIS 60 HA HIS 60 20.801 -6.263 15.531 440 HB2 HIS 60 HB2 HIS 60 20.658 -8.434 14.041 441 HB3 HIS 60 HB1 HIS 60 20.175 -9.188 15.561 442 HD2 HIS 60 HD2 HIS 60 18.985 -5.902 13.617 443 HE1 HIS 60 HE1 HIS 60 15.653 -7.749 15.436 444 HE2 HIS 60 HE2 HIS 60 16.401 -5.805 13.983 445 H HIS 61 HN HIS 61 22.825 -6.997 17.630 446 HA HIS 61 HA HIS 61 22.919 -7.387 19.897 447 HB2 HIS 61 HB2 HIS 61 21.588 -5.368 19.972 448 HB3 HIS 61 HB1 HIS 61 20.114 -6.279 19.640 449 HD2 HIS 61 HD2 HIS 61 22.535 -7.871 22.241 450 HE1 HIS 61 HE1 HIS 61 19.316 -6.178 24.385 451 HE2 HIS 61 HE2 HIS 61 21.372 -7.658 24.570 452 H HIS 62 HN HIS 62 22.935 -9.739 19.192 453 HA HIS 62 HA HIS 62 21.034 -11.179 20.830 454 HB2 HIS 62 HB2 HIS 62 19.824 -10.939 18.664 455 HB3 HIS 62 HB1 HIS 62 21.156 -11.775 17.865 456 HD2 HIS 62 HD2 HIS 62 19.236 -12.815 21.209 457 HE1 HIS 62 HE1 HIS 62 19.255 -16.079 18.532 458 HE2 HIS 62 HE2 HIS 62 18.556 -15.310 20.849 459 H HIS 63 HN HIS 63 21.773 -13.213 21.419 460 HA HIS 63 HA HIS 63 23.906 -14.576 20.129 461 HB2 HIS 63 HB2 HIS 63 25.044 -12.523 21.210 462 HB3 HIS 63 HB1 HIS 63 24.746 -13.343 22.743 463 HD2 HIS 63 HD2 HIS 63 26.810 -13.989 19.423 464 HE1 HIS 63 HE1 HIS 63 28.227 -16.590 22.432 465 HE2 HIS 63 HE2 HIS 63 28.609 -15.773 20.058 466 H HIS 64 HN HIS 64 21.748 -15.786 20.702 467 HA HIS 64 HA HIS 64 21.197 -16.673 23.293 468 HB2 HIS 64 HB2 HIS 64 20.085 -17.107 20.854 469 HB3 HIS 64 HB1 HIS 64 20.854 -18.669 21.141 470 HD2 HIS 64 HD2 HIS 64 19.779 -20.144 23.332 471 HE1 HIS 64 HE1 HIS 64 16.605 -17.476 24.126 472 HE2 HIS 64 HE2 HIS 64 17.564 -19.764 24.663 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 82.226 4.602 8.585 2 H2 MET 1 HT2 MET 1 82.805 5.688 7.414 3 H3 MET 1 HT3 MET 1 83.187 4.036 7.307 4 HA MET 1 HA MET 1 80.364 4.492 7.404 5 HB2 MET 1 HB2 MET 1 81.761 5.421 4.898 6 HB3 MET 1 HB1 MET 1 80.077 5.653 5.370 7 HG2 MET 1 HG2 MET 1 81.209 6.923 7.424 8 HG3 MET 1 HG1 MET 1 82.516 7.133 6.257 9 HE1 MET 1 HE1 MET 1 82.158 7.882 3.860 10 HE2 MET 1 HE2 MET 1 80.764 8.760 3.234 11 HE3 MET 1 HE3 MET 1 80.644 7.028 3.532 12 H GLU 2 HN GLU 2 81.690 2.224 7.796 13 HA GLU 2 HA GLU 2 82.041 0.834 5.245 14 HB2 GLU 2 HB2 GLU 2 82.323 -0.338 8.012 15 HB3 GLU 2 HB1 GLU 2 83.018 -0.932 6.502 16 HG2 GLU 2 HG2 GLU 2 84.189 1.400 6.410 17 HG3 GLU 2 HG1 GLU 2 83.822 1.465 8.133 18 H GLU 3 HN GLU 3 79.787 0.967 4.630 19 HA GLU 3 HA GLU 3 77.578 0.112 6.016 20 HB2 GLU 3 HB2 GLU 3 78.231 -0.382 3.101 21 HB3 GLU 3 HB1 GLU 3 76.627 -0.548 3.815 22 HG2 GLU 3 HG2 GLU 3 76.371 1.730 4.119 23 HG3 GLU 3 HG1 GLU 3 78.106 2.013 4.260 24 H GLY 4 HN GLY 4 76.532 -1.852 6.360 25 HA2 GLY 4 HA2 GLY 4 76.771 -4.334 5.540 26 HA3 GLY 4 HA1 GLY 4 78.311 -4.187 6.379 27 H GLY 5 HN GLY 5 75.274 -2.677 7.352 28 HA2 GLY 5 HA2 GLY 5 73.944 -4.192 9.009 29 HA3 GLY 5 HA1 GLY 5 75.448 -4.099 9.921 30 H ASP 6 HN ASP 6 75.330 -2.667 11.518 31 HA ASP 6 HA ASP 6 74.669 -0.854 12.773 32 HB2 ASP 6 HB2 ASP 6 76.201 0.041 10.835 33 HB3 ASP 6 HB1 ASP 6 74.707 0.786 10.271 34 H PHE 7 HN PHE 7 72.607 -2.337 10.911 35 HA PHE 7 HA PHE 7 70.294 -1.143 11.925 36 HB2 PHE 7 HB2 PHE 7 69.458 -0.250 9.620 37 HB3 PHE 7 HB1 PHE 7 70.494 0.776 10.613 38 HD1 PHE 7 HD2 PHE 7 70.660 -1.803 7.901 39 HD2 PHE 7 HD1 PHE 7 72.492 1.626 9.727 40 HE1 PHE 7 HE2 PHE 7 72.336 -1.728 6.076 41 HE2 PHE 7 HE1 PHE 7 74.169 1.702 7.901 42 HZ PHE 7 HZ PHE 7 74.090 0.025 6.076 43 H ASP 8 HN ASP 8 71.762 -3.649 10.870 44 HA ASP 8 HA ASP 8 70.212 -4.853 8.858 45 HB2 ASP 8 HB2 ASP 8 71.019 -7.019 9.999 46 HB3 ASP 8 HB1 ASP 8 72.244 -5.922 9.365 47 H ASN 9 HN ASN 9 68.067 -4.045 9.562 48 HA ASN 9 HA ASN 9 66.684 -6.124 11.054 49 HB2 ASN 9 HB2 ASN 9 67.515 -4.049 12.555 50 HB3 ASN 9 HB1 ASN 9 65.997 -3.382 11.957 51 HD21 ASN 9 HD21 ASN 9 64.114 -5.188 12.068 52 HD22 ASN 9 HD22 ASN 9 64.037 -6.022 13.544 53 H TYR 10 HN TYR 10 66.701 -5.253 8.312 54 HA TYR 10 HA TYR 10 65.191 -4.904 6.615 55 HB2 TYR 10 HB2 TYR 10 62.961 -4.850 8.626 56 HB3 TYR 10 HB1 TYR 10 62.953 -5.471 6.976 57 HD1 TYR 10 HD1 TYR 10 64.519 -7.486 6.470 58 HD2 TYR 10 HD2 TYR 10 63.325 -6.315 10.426 59 HE1 TYR 10 HE1 TYR 10 65.094 -9.747 7.312 60 HE2 TYR 10 HE2 TYR 10 63.899 -8.576 11.269 61 HH TYR 10 HH TYR 10 65.712 -10.513 10.240 62 H TYR 11 HN TYR 11 63.628 -3.218 9.343 63 HA TYR 11 HA TYR 11 63.283 -0.964 9.715 64 HB2 TYR 11 HB2 TYR 11 65.648 -0.886 8.480 65 HB3 TYR 11 HB1 TYR 11 64.671 -0.143 7.212 66 HD1 TYR 11 HD2 TYR 11 63.269 1.883 7.751 67 HD2 TYR 11 HD1 TYR 11 66.175 0.292 10.485 68 HE1 TYR 11 HE2 TYR 11 63.251 4.019 9.012 69 HE2 TYR 11 HE1 TYR 11 66.158 2.428 11.746 70 HH TYR 11 HH TYR 11 64.293 5.221 10.604 71 H GLY 12 HN GLY 12 61.117 -0.876 9.383 72 HA2 GLY 12 HA2 GLY 12 59.171 -0.181 8.351 73 HA3 GLY 12 HA1 GLY 12 60.148 0.365 6.991 74 H ALA 13 HN ALA 13 61.296 -1.786 5.965 75 HA ALA 13 HA ALA 13 60.850 -3.455 4.437 76 HB1 ALA 13 HB1 ALA 13 60.760 -4.513 6.858 77 HB2 ALA 13 HB2 ALA 13 60.307 -5.463 5.442 78 HB3 ALA 13 HB3 ALA 13 59.059 -4.740 6.455 79 H ASP 14 HN ASP 14 59.169 -1.243 4.101 80 HA ASP 14 HA ASP 14 57.132 -0.577 3.243 81 HB2 ASP 14 HB2 ASP 14 58.237 -2.169 1.504 82 HB3 ASP 14 HB1 ASP 14 56.975 -3.301 1.988 83 H ASN 15 HN ASN 15 57.143 -2.196 5.802 84 HA ASN 15 HA ASN 15 54.510 -3.483 5.672 85 HB2 ASN 15 HB2 ASN 15 56.853 -4.046 7.091 86 HB3 ASN 15 HB1 ASN 15 55.733 -3.418 8.300 87 HD21 ASN 15 HD21 ASN 15 54.308 -4.943 9.140 88 HD22 ASN 15 HD22 ASN 15 53.870 -6.390 8.369 89 H GLN 16 HN GLN 16 56.111 -0.641 6.905 90 HA GLN 16 HA GLN 16 53.503 0.379 7.816 91 HB2 GLN 16 HB2 GLN 16 56.051 0.823 9.376 92 HB3 GLN 16 HB1 GLN 16 54.403 1.226 9.856 93 HG2 GLN 16 HG2 GLN 16 53.978 -1.347 9.539 94 HG3 GLN 16 HG1 GLN 16 55.727 -1.466 9.720 95 HE21 GLN 16 HE21 GLN 16 56.666 -0.786 11.799 96 HE22 GLN 16 HE22 GLN 16 55.693 -0.642 13.181 97 H SER 17 HN SER 17 54.720 0.917 5.362 98 HA SER 17 HA SER 17 55.222 3.795 5.659 99 HB2 SER 17 HB2 SER 17 57.395 2.353 5.428 100 HB3 SER 17 HB1 SER 17 56.913 2.226 3.739 101 HG SER 17 HG SER 17 58.012 4.303 5.069 102 H GLU 18 HN GLU 18 55.738 4.384 3.017 103 HA GLU 18 HA GLU 18 53.215 4.548 1.874 104 HB2 GLU 18 HB2 GLU 18 55.978 4.693 0.677 105 HB3 GLU 18 HB1 GLU 18 54.528 4.921 -0.302 106 HG2 GLU 18 HG2 GLU 18 53.818 6.785 1.067 107 HG3 GLU 18 HG1 GLU 18 55.119 6.491 2.219 108 H CYS 19 HN CYS 19 52.198 2.511 1.991 109 HA CYS 19 HA CYS 19 53.327 0.300 0.450 110 HB2 CYS 19 HB2 CYS 19 52.292 -0.222 2.598 111 HB3 CYS 19 HB1 CYS 19 50.780 0.517 2.072 112 HG CYS 19 HG CYS 19 50.230 -1.518 0.752 113 H GLU 20 HN GLU 20 50.197 2.025 0.548 114 HA GLU 20 HA GLU 20 50.062 1.797 -2.387 115 HB2 GLU 20 HB2 GLU 20 47.771 1.165 -0.510 116 HB3 GLU 20 HB1 GLU 20 47.717 1.132 -2.272 117 HG2 GLU 20 HG2 GLU 20 49.822 -0.496 -1.893 118 HG3 GLU 20 HG1 GLU 20 48.971 -0.794 -0.380 119 H TYR 21 HN TYR 21 50.164 3.784 0.173 120 HA TYR 21 HA TYR 21 48.060 5.636 -0.609 121 HB2 TYR 21 HB2 TYR 21 50.262 6.240 1.348 122 HB3 TYR 21 HB1 TYR 21 48.609 6.854 1.318 123 HD1 TYR 21 HD2 TYR 21 46.697 5.147 1.664 124 HD2 TYR 21 HD1 TYR 21 50.804 4.346 2.637 125 HE1 TYR 21 HE2 TYR 21 45.983 3.303 3.160 126 HE2 TYR 21 HE1 TYR 21 50.090 2.501 4.132 127 HH TYR 21 HH TYR 21 46.859 1.301 4.155 128 H THR 22 HN THR 22 49.443 5.384 -2.821 129 HA THR 22 HA THR 22 50.823 7.951 -3.070 130 HB THR 22 HB THR 22 52.738 6.999 -4.217 131 HG1 THR 22 HG1 THR 22 52.806 4.955 -4.780 132 HG21 THR 22 HG21 THR 22 52.703 7.146 -1.689 133 HG22 THR 22 HG22 THR 22 53.837 5.966 -2.347 134 HG23 THR 22 HG23 THR 22 52.301 5.429 -1.668 135 H ASP 23 HN ASP 23 49.450 5.081 -4.593 136 HA ASP 23 HA ASP 23 49.395 6.156 -7.240 137 HB2 ASP 23 HB2 ASP 23 49.321 3.743 -6.838 138 HB3 ASP 23 HB1 ASP 23 47.783 3.918 -5.994 139 H TRP 24 HN TRP 24 46.661 5.395 -5.068 140 HA TRP 24 HA TRP 24 44.867 7.095 -6.514 141 HB2 TRP 24 HB2 TRP 24 43.234 6.472 -4.882 142 HB3 TRP 24 HB1 TRP 24 44.221 5.042 -5.182 143 HD1 TRP 24 HD1 TRP 24 46.380 4.784 -3.383 144 HE1 TRP 24 HE1 TRP 24 46.334 5.136 -0.829 145 HE3 TRP 24 HE3 TRP 24 42.162 7.630 -2.960 146 HZ2 TRP 24 HZ2 TRP 24 44.722 6.452 1.133 147 HZ3 TRP 24 HZ3 TRP 24 41.394 8.418 -0.739 148 HH2 TRP 24 HH2 TRP 24 42.668 7.833 1.306 149 H LYS 25 HN LYS 25 46.969 8.705 -5.963 150 HA LYS 25 HA LYS 25 46.858 10.152 -3.546 151 HB2 LYS 25 HB2 LYS 25 48.411 10.218 -5.855 152 HB3 LYS 25 HB1 LYS 25 47.601 11.784 -5.840 153 HG2 LYS 25 HG2 LYS 25 49.622 12.052 -4.572 154 HG3 LYS 25 HG1 LYS 25 48.298 12.001 -3.407 155 HD2 LYS 25 HD2 LYS 25 49.034 9.316 -3.789 156 HD3 LYS 25 HD1 LYS 25 50.556 10.201 -3.683 157 HE2 LYS 25 HE2 LYS 25 48.276 10.364 -1.689 158 HE3 LYS 25 HE1 LYS 25 49.799 9.509 -1.444 159 HZ1 LYS 25 HZ1 LYS 25 49.955 12.314 -2.229 160 HZ2 LYS 25 HZ2 LYS 25 50.945 11.423 -1.173 161 HZ3 LYS 25 HZ3 LYS 25 49.431 11.988 -0.649 162 H SER 26 HN SER 26 44.468 9.808 -5.756 163 HA SER 26 HA SER 26 42.921 11.962 -4.697 164 HB2 SER 26 HB2 SER 26 44.120 12.252 -7.439 165 HB3 SER 26 HB1 SER 26 42.569 12.990 -7.051 166 HG SER 26 HG SER 26 44.576 14.256 -6.662 167 H SER 27 HN SER 27 41.047 10.928 -4.467 168 HA SER 27 HA SER 27 40.243 8.662 -5.929 169 HB2 SER 27 HB2 SER 27 38.012 10.208 -4.877 170 HB3 SER 27 HB1 SER 27 38.581 8.606 -4.418 171 HG SER 27 HG SER 27 39.603 11.121 -3.581 172 H GLY 28 HN GLY 28 40.522 11.780 -6.983 173 HA2 GLY 28 HA2 GLY 28 39.948 11.888 -9.462 174 HA3 GLY 28 HA1 GLY 28 38.308 11.533 -8.927 175 H ALA 29 HN ALA 29 40.562 13.583 -7.171 176 HA ALA 29 HA ALA 29 40.637 15.880 -6.877 177 HB1 ALA 29 HB1 ALA 29 39.803 17.287 -8.482 178 HB2 ALA 29 HB2 ALA 29 38.291 16.393 -8.634 179 HB3 ALA 29 HB3 ALA 29 39.757 15.784 -9.403 180 H LEU 30 HN LEU 30 38.855 13.868 -5.545 181 HA LEU 30 HA LEU 30 36.681 15.623 -4.609 182 HB2 LEU 30 HB2 LEU 30 37.120 12.662 -4.643 183 HB3 LEU 30 HB1 LEU 30 36.084 13.343 -3.393 184 HG LEU 30 HG LEU 30 34.858 12.636 -5.483 185 HD11 LEU 30 HD11 LEU 30 34.540 14.968 -3.935 186 HD12 LEU 30 HD12 LEU 30 33.323 14.193 -4.946 187 HD13 LEU 30 HD13 LEU 30 34.325 15.483 -5.607 188 HD21 LEU 30 HD21 LEU 30 36.853 13.530 -6.917 189 HD22 LEU 30 HD22 LEU 30 36.025 15.082 -6.790 190 HD23 LEU 30 HD23 LEU 30 35.211 13.708 -7.536 191 H ILE 31 HN ILE 31 39.686 15.550 -3.889 192 HA ILE 31 HA ILE 31 39.714 14.827 -1.105 193 HB ILE 31 HB ILE 31 41.775 16.537 -2.487 194 HG12 ILE 31 HG12 ILE 31 42.691 13.935 -2.615 195 HG13 ILE 31 HG11 ILE 31 40.984 13.753 -3.021 196 HG21 ILE 31 HG21 ILE 31 41.931 16.204 -0.035 197 HG22 ILE 31 HG22 ILE 31 43.266 15.428 -0.887 198 HG23 ILE 31 HG23 ILE 31 41.920 14.458 -0.285 199 HD11 ILE 31 HD11 ILE 31 43.061 15.453 -4.407 200 HD12 ILE 31 HD12 ILE 31 41.334 15.717 -4.643 201 HD13 ILE 31 HD13 ILE 31 42.058 14.176 -5.096 202 HA PRO 32 HA PRO 32 39.676 19.731 -0.795 203 HB2 PRO 32 HB2 PRO 32 37.500 20.241 -2.742 204 HB3 PRO 32 HB1 PRO 32 38.993 21.153 -2.454 205 HG2 PRO 32 HG2 PRO 32 38.653 19.643 -4.632 206 HG3 PRO 32 HG1 PRO 32 40.232 19.826 -3.847 207 HD2 PRO 32 HD2 PRO 32 38.340 17.507 -3.757 208 HD3 PRO 32 HD1 PRO 32 40.116 17.515 -3.769 209 H ALA 33 HN ALA 33 37.546 17.224 -0.700 210 HA ALA 33 HA ALA 33 35.774 18.657 1.171 211 HB1 ALA 33 HB1 ALA 33 33.946 17.047 0.247 212 HB2 ALA 33 HB2 ALA 33 34.985 16.957 -1.175 213 HB3 ALA 33 HB3 ALA 33 34.331 18.511 -0.657 214 H ILE 34 HN ILE 34 36.764 15.464 -0.063 215 HA ILE 34 HA ILE 34 35.859 13.901 2.061 216 HB ILE 34 HB ILE 34 38.214 13.580 0.201 217 HG12 ILE 34 HG12 ILE 34 35.626 12.021 0.399 218 HG13 ILE 34 HG11 ILE 34 35.797 13.454 -0.614 219 HG21 ILE 34 HG21 ILE 34 37.346 11.954 2.553 220 HG22 ILE 34 HG22 ILE 34 38.965 12.212 1.904 221 HG23 ILE 34 HG23 ILE 34 37.863 11.091 1.104 222 HD11 ILE 34 HD11 ILE 34 37.728 12.362 -1.761 223 HD12 ILE 34 HD12 ILE 34 36.220 11.471 -1.967 224 HD13 ILE 34 HD13 ILE 34 37.428 10.905 -0.812 225 H TYR 35 HN TYR 35 39.296 14.725 1.595 226 HA TYR 35 HA TYR 35 40.197 14.110 4.122 227 HB2 TYR 35 HB2 TYR 35 41.818 14.637 2.476 228 HB3 TYR 35 HB1 TYR 35 41.107 16.222 2.169 229 HD1 TYR 35 HD2 TYR 35 42.915 14.187 4.709 230 HD2 TYR 35 HD1 TYR 35 41.695 18.119 3.483 231 HE1 TYR 35 HE2 TYR 35 44.380 15.183 6.446 232 HE2 TYR 35 HE1 TYR 35 43.159 19.114 5.220 233 HH TYR 35 HH TYR 35 45.538 17.932 6.515 234 H MET 36 HN MET 36 38.461 16.963 3.061 235 HA MET 36 HA MET 36 38.952 18.535 5.395 236 HB2 MET 36 HB2 MET 36 38.206 19.444 3.176 237 HB3 MET 36 HB1 MET 36 36.617 18.743 3.483 238 HG2 MET 36 HG2 MET 36 36.086 20.598 4.639 239 HG3 MET 36 HG1 MET 36 37.300 20.142 5.835 240 HE1 MET 36 HE1 MET 36 40.051 20.326 4.337 241 HE2 MET 36 HE2 MET 36 39.593 20.836 5.960 242 HE3 MET 36 HE3 MET 36 40.457 21.951 4.905 243 H LEU 37 HN LEU 37 35.858 17.132 4.301 244 HA LEU 37 HA LEU 37 34.743 17.215 6.938 245 HB2 LEU 37 HB2 LEU 37 33.709 15.631 4.583 246 HB3 LEU 37 HB1 LEU 37 32.792 16.245 5.959 247 HG LEU 37 HG LEU 37 34.187 17.932 3.859 248 HD11 LEU 37 HD11 LEU 37 31.834 18.616 3.326 249 HD12 LEU 37 HD12 LEU 37 31.264 17.371 4.437 250 HD13 LEU 37 HD13 LEU 37 32.157 16.916 2.987 251 HD21 LEU 37 HD21 LEU 37 32.714 19.711 5.124 252 HD22 LEU 37 HD22 LEU 37 34.281 19.248 5.789 253 HD23 LEU 37 HD23 LEU 37 32.801 18.555 6.454 254 H VAL 38 HN VAL 38 37.099 15.851 7.185 255 HA VAL 38 HA VAL 38 36.143 13.214 8.028 256 HB VAL 38 HB VAL 38 38.340 13.709 6.041 257 HG11 VAL 38 HG11 VAL 38 39.575 12.488 7.627 258 HG12 VAL 38 HG12 VAL 38 38.923 11.226 6.582 259 HG13 VAL 38 HG13 VAL 38 38.168 11.555 8.142 260 HG21 VAL 38 HG21 VAL 38 36.068 13.015 5.296 261 HG22 VAL 38 HG22 VAL 38 36.193 11.578 6.312 262 HG23 VAL 38 HG23 VAL 38 37.282 11.786 4.940 263 H PHE 39 HN PHE 39 38.504 15.791 8.136 264 HA PHE 39 HA PHE 39 39.949 14.607 10.367 265 HB2 PHE 39 HB2 PHE 39 41.408 15.819 9.027 266 HB3 PHE 39 HB1 PHE 39 40.229 17.094 8.718 267 HD1 PHE 39 HD1 PHE 39 41.522 15.504 11.863 268 HD2 PHE 39 HD2 PHE 39 40.988 19.119 9.604 269 HE1 PHE 39 HE1 PHE 39 42.454 16.818 13.747 270 HE2 PHE 39 HE2 PHE 39 41.920 20.433 11.489 271 HZ PHE 39 HZ PHE 39 42.653 19.283 13.560 272 H LEU 40 HN LEU 40 37.536 17.090 9.780 273 HA LEU 40 HA LEU 40 37.317 17.515 12.703 274 HB2 LEU 40 HB2 LEU 40 36.488 19.767 12.208 275 HB3 LEU 40 HB1 LEU 40 38.093 19.534 11.516 276 HG LEU 40 HG LEU 40 36.328 18.641 9.531 277 HD11 LEU 40 HD11 LEU 40 34.492 19.754 10.781 278 HD12 LEU 40 HD12 LEU 40 34.792 20.533 9.226 279 HD13 LEU 40 HD13 LEU 40 35.386 21.274 10.712 280 HD21 LEU 40 HD21 LEU 40 37.800 21.268 9.906 281 HD22 LEU 40 HD22 LEU 40 37.094 20.744 8.378 282 HD23 LEU 40 HD23 LEU 40 38.409 19.820 9.103 283 H LEU 41 HN LEU 41 35.948 15.822 10.371 284 HA LEU 41 HA LEU 41 33.278 16.046 11.563 285 HB2 LEU 41 HB2 LEU 41 33.551 17.417 9.351 286 HB3 LEU 41 HB1 LEU 41 33.488 15.833 8.578 287 HG LEU 41 HG LEU 41 31.396 15.533 10.209 288 HD11 LEU 41 HD11 LEU 41 31.310 18.494 9.594 289 HD12 LEU 41 HD12 LEU 41 31.850 17.865 11.150 290 HD13 LEU 41 HD13 LEU 41 30.201 17.567 10.603 291 HD21 LEU 41 HD21 LEU 41 29.964 16.295 8.329 292 HD22 LEU 41 HD22 LEU 41 31.341 15.353 7.755 293 HD23 LEU 41 HD23 LEU 41 31.356 17.111 7.616 294 H GLY 42 HN GLY 42 35.785 14.163 11.049 295 HA2 GLY 42 HA2 GLY 42 34.287 11.802 10.116 296 HA3 GLY 42 HA1 GLY 42 36.041 11.933 10.209 297 H THR 43 HN THR 43 35.978 13.146 12.883 298 HA THR 43 HA THR 43 34.917 10.955 14.534 299 HB THR 43 HB THR 43 37.257 10.377 14.057 300 HG1 THR 43 HG1 THR 43 37.631 11.237 16.596 301 HG21 THR 43 HG21 THR 43 37.856 12.878 13.730 302 HG22 THR 43 HG22 THR 43 39.060 11.831 14.482 303 HG23 THR 43 HG23 THR 43 38.076 12.902 15.480 304 H THR 44 HN THR 44 36.574 14.104 14.513 305 HA THR 44 HA THR 44 36.023 14.874 17.142 306 HB THR 44 HB THR 44 36.476 16.414 14.600 307 HG1 THR 44 HG1 THR 44 38.099 16.995 16.599 308 HG21 THR 44 HG21 THR 44 36.663 18.410 16.268 309 HG22 THR 44 HG22 THR 44 35.609 17.435 17.294 310 HG23 THR 44 HG23 THR 44 35.065 17.936 15.692 311 H GLY 45 HN GLY 45 34.045 15.074 14.229 312 HA2 GLY 45 HA2 GLY 45 32.016 16.761 14.945 313 HA3 GLY 45 HA1 GLY 45 31.752 15.290 14.012 314 H ASN 46 HN ASN 46 32.464 13.403 15.990 315 HA ASN 46 HA ASN 46 30.868 13.887 18.357 316 HB2 ASN 46 HB2 ASN 46 29.525 12.942 16.114 317 HB3 ASN 46 HB1 ASN 46 29.854 11.488 17.056 318 HD21 ASN 46 HD21 ASN 46 28.852 14.887 17.799 319 HD22 ASN 46 HD22 ASN 46 27.627 14.432 18.881 320 H GLY 47 HN GLY 47 32.422 13.203 19.728 321 HA2 GLY 47 HA2 GLY 47 32.847 10.614 20.426 322 HA3 GLY 47 HA1 GLY 47 34.056 10.885 19.174 323 H LEU 48 HN LEU 48 32.838 13.140 21.628 324 HA LEU 48 HA LEU 48 35.591 13.353 22.701 325 HB2 LEU 48 HB2 LEU 48 33.468 15.505 22.708 326 HB3 LEU 48 HB1 LEU 48 35.164 15.676 23.163 327 HG LEU 48 HG LEU 48 34.144 14.955 20.398 328 HD11 LEU 48 HD11 LEU 48 35.533 17.472 21.361 329 HD12 LEU 48 HD12 LEU 48 33.789 17.337 21.134 330 HD13 LEU 48 HD13 LEU 48 34.872 17.173 19.752 331 HD21 LEU 48 HD21 LEU 48 36.243 13.933 20.520 332 HD22 LEU 48 HD22 LEU 48 36.872 15.132 21.649 333 HD23 LEU 48 HD23 LEU 48 36.673 15.543 19.946 334 H VAL 49 HN VAL 49 32.205 12.964 23.395 335 HA VAL 49 HA VAL 49 32.446 13.379 26.236 336 HB VAL 49 HB VAL 49 30.320 13.772 25.064 337 HG11 VAL 49 HG11 VAL 49 29.131 12.079 23.950 338 HG12 VAL 49 HG12 VAL 49 30.038 10.791 24.743 339 HG13 VAL 49 HG13 VAL 49 30.800 11.759 23.481 340 HG21 VAL 49 HG21 VAL 49 29.083 13.086 26.860 341 HG22 VAL 49 HG22 VAL 49 30.649 12.595 27.504 342 HG23 VAL 49 HG23 VAL 49 29.612 11.411 26.709 343 H LEU 50 HN LEU 50 33.956 11.198 24.567 344 HA LEU 50 HA LEU 50 33.670 9.131 26.632 345 HB2 LEU 50 HB2 LEU 50 33.951 7.455 24.623 346 HB3 LEU 50 HB1 LEU 50 32.352 8.059 25.056 347 HG LEU 50 HG LEU 50 32.505 9.784 23.319 348 HD11 LEU 50 HD11 LEU 50 34.494 9.527 21.690 349 HD12 LEU 50 HD12 LEU 50 35.281 8.640 22.995 350 HD13 LEU 50 HD13 LEU 50 34.812 10.323 23.231 351 HD21 LEU 50 HD21 LEU 50 32.332 8.345 21.393 352 HD22 LEU 50 HD22 LEU 50 31.721 7.437 22.777 353 HD23 LEU 50 HD23 LEU 50 33.340 7.115 22.155 354 H TRP 51 HN TRP 51 35.626 11.233 25.189 355 HA TRP 51 HA TRP 51 37.953 9.429 25.027 356 HB2 TRP 51 HB2 TRP 51 38.269 10.645 23.148 357 HB3 TRP 51 HB1 TRP 51 37.175 11.921 23.680 358 HD1 TRP 51 HD1 TRP 51 40.696 10.633 24.664 359 HE1 TRP 51 HE1 TRP 51 42.172 12.680 25.195 360 HE3 TRP 51 HE3 TRP 51 37.294 14.378 23.974 361 HZ2 TRP 51 HZ2 TRP 51 41.940 15.528 25.312 362 HZ3 TRP 51 HZ3 TRP 51 37.948 16.746 24.301 363 HH2 TRP 51 HH2 TRP 51 40.264 17.325 24.969 364 H THR 52 HN THR 52 37.222 12.730 26.186 365 HA THR 52 HA THR 52 39.454 12.842 27.938 366 HB THR 52 HB THR 52 38.289 14.853 27.081 367 HG1 THR 52 HG1 THR 52 39.448 15.202 28.902 368 HG21 THR 52 HG21 THR 52 36.113 15.450 27.773 369 HG22 THR 52 HG22 THR 52 36.112 14.267 29.081 370 HG23 THR 52 HG23 THR 52 35.985 13.730 27.407 371 H VAL 53 HN VAL 53 36.009 12.144 28.462 372 HA VAL 53 HA VAL 53 35.896 11.920 31.198 373 HB VAL 53 HB VAL 53 34.558 10.322 29.020 374 HG11 VAL 53 HG11 VAL 53 33.000 9.643 30.985 375 HG12 VAL 53 HG12 VAL 53 34.380 10.020 32.015 376 HG13 VAL 53 HG13 VAL 53 34.514 8.760 30.787 377 HG21 VAL 53 HG21 VAL 53 32.606 11.637 29.745 378 HG22 VAL 53 HG22 VAL 53 33.945 12.707 29.330 379 HG23 VAL 53 HG23 VAL 53 33.569 12.380 31.022 380 H PHE 54 HN PHE 54 37.689 9.969 28.999 381 HA PHE 54 HA PHE 54 37.896 7.622 30.625 382 HB2 PHE 54 HB2 PHE 54 38.529 8.214 28.034 383 HB3 PHE 54 HB1 PHE 54 40.123 8.197 28.787 384 HD1 PHE 54 HD2 PHE 54 39.887 6.200 30.888 385 HD2 PHE 54 HD1 PHE 54 38.263 6.171 26.911 386 HE1 PHE 54 HE2 PHE 54 39.848 3.721 30.923 387 HE2 PHE 54 HE1 PHE 54 38.224 3.691 26.946 388 HZ PHE 54 HZ PHE 54 39.016 2.467 28.952 389 H ARG 55 HN ARG 55 40.435 9.986 29.762 390 HA ARG 55 HA ARG 55 42.329 9.272 31.627 391 HB2 ARG 55 HB2 ARG 55 41.656 12.074 30.696 392 HB3 ARG 55 HB1 ARG 55 43.167 11.588 31.463 393 HG2 ARG 55 HG2 ARG 55 43.946 11.081 29.410 394 HG3 ARG 55 HG1 ARG 55 42.795 9.745 29.381 395 HD2 ARG 55 HD2 ARG 55 41.083 11.219 28.414 396 HD3 ARG 55 HD1 ARG 55 42.203 12.577 28.474 397 HE ARG 55 HE ARG 55 43.148 11.775 26.522 398 HH11 ARG 55 HH21 ARG 55 41.467 9.248 28.185 399 HH12 ARG 55 HH22 ARG 55 41.720 8.071 26.940 400 HH21 ARG 55 HH11 ARG 55 43.486 10.237 24.885 401 HH22 ARG 55 HH12 ARG 55 42.864 8.631 25.072 402 H LYS 56 HN LYS 56 39.247 10.518 32.231 403 HA LYS 56 HA LYS 56 39.954 11.014 35.056 404 HB2 LYS 56 HB2 LYS 56 38.118 12.761 35.046 405 HB3 LYS 56 HB1 LYS 56 39.578 13.200 34.162 406 HG2 LYS 56 HG2 LYS 56 37.872 11.816 32.356 407 HG3 LYS 56 HG1 LYS 56 36.893 13.021 33.185 408 HD2 LYS 56 HD2 LYS 56 39.550 13.580 31.836 409 HD3 LYS 56 HD1 LYS 56 37.969 13.942 31.143 410 HE2 LYS 56 HE2 LYS 56 37.953 15.899 32.248 411 HE3 LYS 56 HE1 LYS 56 37.990 15.016 33.775 412 HZ1 LYS 56 HZ1 LYS 56 40.107 16.401 32.401 413 HZ2 LYS 56 HZ2 LYS 56 40.544 14.846 32.927 414 HZ3 LYS 56 HZ3 LYS 56 39.964 15.992 34.041 415 H LYS 57 HN LYS 57 39.090 8.558 34.080 416 HA LYS 57 HA LYS 57 36.405 7.991 33.973 417 HB2 LYS 57 HB2 LYS 57 38.105 6.269 33.695 418 HB3 LYS 57 HB1 LYS 57 38.563 6.412 35.392 419 HG2 LYS 57 HG2 LYS 57 36.464 5.552 36.134 420 HG3 LYS 57 HG1 LYS 57 35.747 5.725 34.531 421 HD2 LYS 57 HD2 LYS 57 36.336 3.369 34.992 422 HD3 LYS 57 HD1 LYS 57 37.282 4.011 33.649 423 HE2 LYS 57 HE2 LYS 57 38.387 4.229 36.428 424 HE3 LYS 57 HE1 LYS 57 38.475 2.676 35.594 425 HZ1 LYS 57 HZ1 LYS 57 39.234 4.858 33.912 426 HZ2 LYS 57 HZ2 LYS 57 40.072 3.422 34.265 427 HZ3 LYS 57 HZ3 LYS 57 40.207 4.764 35.299 428 H GLY 58 HN GLY 58 38.350 7.939 36.971 429 HA2 GLY 58 HA2 GLY 58 37.681 8.959 39.018 430 HA3 GLY 58 HA1 GLY 58 36.014 8.945 38.448 431 H HIS 59 HN HIS 59 35.052 6.725 38.131 432 HA HIS 59 HA HIS 59 35.028 5.289 40.512 433 HB2 HIS 59 HB2 HIS 59 34.261 4.474 37.705 434 HB3 HIS 59 HB1 HIS 59 33.971 3.454 39.114 435 HD2 HIS 59 HD2 HIS 59 33.448 7.272 39.664 436 HE1 HIS 59 HE1 HIS 59 29.625 5.509 39.351 437 HE2 HIS 59 HE2 HIS 59 30.876 7.641 39.928 438 H HIS 60 HN HIS 60 35.326 2.632 40.031 439 HA HIS 60 HA HIS 60 38.106 2.246 39.146 440 HB2 HIS 60 HB2 HIS 60 37.056 1.968 41.892 441 HB3 HIS 60 HB1 HIS 60 38.034 0.617 41.320 442 HD2 HIS 60 HD2 HIS 60 40.777 1.180 41.040 443 HE1 HIS 60 HE1 HIS 60 40.564 5.250 42.141 444 HE2 HIS 60 HE2 HIS 60 42.142 3.331 41.617 445 H HIS 61 HN HIS 61 37.631 0.971 37.420 446 HA HIS 61 HA HIS 61 35.616 -1.070 37.485 447 HB2 HIS 61 HB2 HIS 61 37.163 0.220 35.509 448 HB3 HIS 61 HB1 HIS 61 37.571 -1.493 35.412 449 HD2 HIS 61 HD2 HIS 61 34.801 -2.999 35.750 450 HE1 HIS 61 HE1 HIS 61 33.126 -0.221 33.048 451 HE2 HIS 61 HE2 HIS 61 32.796 -2.480 34.161 452 H HIS 62 HN HIS 62 36.290 -3.366 36.762 453 HA HIS 62 HA HIS 62 38.224 -4.334 38.734 454 HB2 HIS 62 HB2 HIS 62 35.917 -5.331 38.531 455 HB3 HIS 62 HB1 HIS 62 36.396 -5.954 36.952 456 HD2 HIS 62 HD2 HIS 62 35.994 -7.738 39.965 457 HE1 HIS 62 HE1 HIS 62 39.986 -8.763 39.051 458 HE2 HIS 62 HE2 HIS 62 37.960 -9.385 40.451 459 H HIS 63 HN HIS 63 39.778 -3.162 37.058 460 HA HIS 63 HA HIS 63 41.291 -5.236 35.820 461 HB2 HIS 63 HB2 HIS 63 39.426 -4.863 34.140 462 HB3 HIS 63 HB1 HIS 63 40.084 -3.245 33.894 463 HD2 HIS 63 HD2 HIS 63 40.325 -6.040 31.759 464 HE1 HIS 63 HE1 HIS 63 44.425 -5.169 32.266 465 HE2 HIS 63 HE2 HIS 63 42.739 -6.422 30.839 466 H HIS 64 HN HIS 64 42.139 -3.589 37.703 467 HA HIS 64 HA HIS 64 43.196 -1.099 36.852 468 HB2 HIS 64 HB2 HIS 64 42.874 -2.031 39.254 469 HB3 HIS 64 HB1 HIS 64 44.454 -2.777 39.007 470 HD2 HIS 64 HD2 HIS 64 46.370 -1.073 40.005 471 HE1 HIS 64 HE1 HIS 64 44.554 2.588 38.944 472 HE2 HIS 64 HE2 HIS 64 46.590 1.529 40.032 Start of MODEL 21 1 H1 MET 1 HT1 MET 1 27.493 -12.921 23.891 2 H2 MET 1 HT2 MET 1 28.559 -14.167 24.338 3 H3 MET 1 HT3 MET 1 29.082 -12.931 23.296 4 HA MET 1 HA MET 1 28.539 -11.348 25.208 5 HB2 MET 1 HB2 MET 1 28.760 -14.014 26.640 6 HB3 MET 1 HB1 MET 1 28.743 -12.437 27.428 7 HG2 MET 1 HG2 MET 1 26.522 -12.685 25.578 8 HG3 MET 1 HG1 MET 1 26.507 -13.996 26.758 9 HE1 MET 1 HE1 MET 1 24.125 -12.561 26.945 10 HE2 MET 1 HE2 MET 1 24.699 -11.099 26.146 11 HE3 MET 1 HE3 MET 1 24.010 -10.998 27.765 12 H GLU 2 HN GLU 2 30.515 -12.007 23.343 13 HA GLU 2 HA GLU 2 32.939 -12.502 24.941 14 HB2 GLU 2 HB2 GLU 2 33.062 -12.134 21.988 15 HB3 GLU 2 HB1 GLU 2 33.955 -13.249 23.024 16 HG2 GLU 2 HG2 GLU 2 31.694 -14.422 23.408 17 HG3 GLU 2 HG1 GLU 2 31.118 -13.495 22.023 18 H GLU 3 HN GLU 3 31.663 -10.054 25.383 19 HA GLU 3 HA GLU 3 32.448 -7.884 23.845 20 HB2 GLU 3 HB2 GLU 3 32.300 -8.001 26.867 21 HB3 GLU 3 HB1 GLU 3 32.221 -6.545 25.877 22 HG2 GLU 3 HG2 GLU 3 30.202 -7.537 24.731 23 HG3 GLU 3 HG1 GLU 3 30.233 -8.828 25.931 24 H GLY 4 HN GLY 4 34.065 -6.165 24.873 25 HA2 GLY 4 HA2 GLY 4 36.257 -5.558 25.222 26 HA3 GLY 4 HA1 GLY 4 36.455 -7.084 26.077 27 H GLY 5 HN GLY 5 35.703 -6.292 22.681 28 HA2 GLY 5 HA2 GLY 5 37.008 -8.381 21.459 29 HA3 GLY 5 HA1 GLY 5 36.823 -6.792 20.724 30 H ASP 6 HN ASP 6 39.066 -8.999 21.227 31 HA ASP 6 HA ASP 6 41.203 -7.771 22.556 32 HB2 ASP 6 HB2 ASP 6 40.804 -10.063 20.850 33 HB3 ASP 6 HB1 ASP 6 42.303 -9.241 20.423 34 H PHE 7 HN PHE 7 39.599 -6.664 19.879 35 HA PHE 7 HA PHE 7 41.636 -5.754 18.169 36 HB2 PHE 7 HB2 PHE 7 39.410 -5.652 17.357 37 HB3 PHE 7 HB1 PHE 7 38.860 -4.729 18.756 38 HD1 PHE 7 HD2 PHE 7 40.782 -4.591 15.605 39 HD2 PHE 7 HD1 PHE 7 39.278 -2.345 18.943 40 HE1 PHE 7 HE2 PHE 7 41.299 -2.477 14.416 41 HE2 PHE 7 HE1 PHE 7 39.796 -0.231 17.754 42 HZ PHE 7 HZ PHE 7 40.807 -0.297 15.491 43 H ASP 8 HN ASP 8 40.212 -4.336 21.078 44 HA ASP 8 HA ASP 8 41.644 -1.863 20.863 45 HB2 ASP 8 HB2 ASP 8 39.463 -2.604 22.257 46 HB3 ASP 8 HB1 ASP 8 40.685 -2.774 23.515 47 H ASN 9 HN ASN 9 43.178 -4.441 20.808 48 HA ASN 9 HA ASN 9 44.619 -4.816 23.192 49 HB2 ASN 9 HB2 ASN 9 46.399 -5.752 21.641 50 HB3 ASN 9 HB1 ASN 9 44.800 -6.480 21.495 51 HD21 ASN 9 HD21 ASN 9 46.261 -6.847 19.265 52 HD22 ASN 9 HD22 ASN 9 45.829 -5.767 18.030 53 H TYR 10 HN TYR 10 44.788 -2.344 20.774 54 HA TYR 10 HA TYR 10 46.943 -1.044 22.293 55 HB2 TYR 10 HB2 TYR 10 46.955 -1.595 19.324 56 HB3 TYR 10 HB1 TYR 10 47.947 -0.336 20.061 57 HD1 TYR 10 HD1 TYR 10 49.462 -1.034 22.048 58 HD2 TYR 10 HD2 TYR 10 47.706 -3.822 19.292 59 HE1 TYR 10 HE1 TYR 10 51.142 -2.738 22.702 60 HE2 TYR 10 HE2 TYR 10 49.386 -5.526 19.945 61 HH TYR 10 HH TYR 10 51.098 -6.004 21.267 62 H TYR 11 HN TYR 11 44.920 -0.567 19.384 63 HA TYR 11 HA TYR 11 43.554 1.169 18.754 64 HB2 TYR 11 HB2 TYR 11 42.652 0.658 21.120 65 HB3 TYR 11 HB1 TYR 11 43.537 2.102 21.616 66 HD1 TYR 11 HD1 TYR 11 42.935 4.320 20.736 67 HD2 TYR 11 HD2 TYR 11 40.708 0.806 19.670 68 HE1 TYR 11 HE1 TYR 11 41.100 5.746 19.867 69 HE2 TYR 11 HE2 TYR 11 38.874 2.231 18.802 70 HH TYR 11 HH TYR 11 39.222 5.723 18.551 71 H GLY 12 HN GLY 12 43.899 3.160 17.901 72 HA2 GLY 12 HA2 GLY 12 45.051 5.064 17.316 73 HA3 GLY 12 HA1 GLY 12 45.292 5.289 19.046 74 H ALA 13 HN ALA 13 46.467 2.486 17.302 75 HA ALA 13 HA ALA 13 49.180 3.065 18.157 76 HB1 ALA 13 HB1 ALA 13 49.600 0.850 17.802 77 HB2 ALA 13 HB2 ALA 13 48.636 0.795 16.325 78 HB3 ALA 13 HB3 ALA 13 47.842 0.743 17.899 79 H ASP 14 HN ASP 14 47.382 2.821 15.115 80 HA ASP 14 HA ASP 14 49.519 3.101 13.329 81 HB2 ASP 14 HB2 ASP 14 46.718 4.197 12.991 82 HB3 ASP 14 HB1 ASP 14 47.864 3.820 11.705 83 H ASN 15 HN ASN 15 48.551 5.230 15.691 84 HA ASN 15 HA ASN 15 48.683 7.758 14.515 85 HB2 ASN 15 HB2 ASN 15 49.253 6.684 17.246 86 HB3 ASN 15 HB1 ASN 15 49.725 8.342 16.873 87 HD21 ASN 15 HD21 ASN 15 48.113 9.679 17.710 88 HD22 ASN 15 HD22 ASN 15 46.447 9.424 17.512 89 H GLN 16 HN GLN 16 51.272 5.616 15.623 90 HA GLN 16 HA GLN 16 53.284 7.550 14.697 91 HB2 GLN 16 HB2 GLN 16 53.982 4.932 15.970 92 HB3 GLN 16 HB1 GLN 16 54.815 6.483 16.069 93 HG2 GLN 16 HG2 GLN 16 52.604 7.270 17.258 94 HG3 GLN 16 HG1 GLN 16 52.381 5.547 17.553 95 HE21 GLN 16 HE21 GLN 16 55.186 7.831 17.694 96 HE22 GLN 16 HE22 GLN 16 55.723 7.291 19.213 97 H SER 17 HN SER 17 51.746 6.359 12.688 98 HA SER 17 HA SER 17 53.841 5.060 11.156 99 HB2 SER 17 HB2 SER 17 52.015 3.436 12.516 100 HB3 SER 17 HB1 SER 17 51.422 3.488 10.858 101 HG SER 17 HG SER 17 53.477 2.129 11.831 102 H GLU 18 HN GLU 18 52.338 4.142 9.041 103 HA GLU 18 HA GLU 18 51.885 6.406 7.508 104 HB2 GLU 18 HB2 GLU 18 50.419 4.810 6.102 105 HB3 GLU 18 HB1 GLU 18 52.116 4.383 6.328 106 HG2 GLU 18 HG2 GLU 18 51.628 2.587 7.650 107 HG3 GLU 18 HG1 GLU 18 50.259 3.392 8.414 108 H CYS 19 HN CYS 19 50.670 7.913 8.712 109 HA CYS 19 HA CYS 19 47.860 7.215 9.245 110 HB2 CYS 19 HB2 CYS 19 49.071 8.212 11.117 111 HB3 CYS 19 HB1 CYS 19 49.510 9.598 10.120 112 HG CYS 19 HG CYS 19 46.672 9.719 9.914 113 H GLU 20 HN GLU 20 49.839 9.742 7.702 114 HA GLU 20 HA GLU 20 47.676 10.174 5.763 115 HB2 GLU 20 HB2 GLU 20 48.987 12.408 7.332 116 HB3 GLU 20 HB1 GLU 20 47.831 12.613 6.016 117 HG2 GLU 20 HG2 GLU 20 46.295 11.063 7.445 118 HG3 GLU 20 HG1 GLU 20 47.368 11.500 8.773 119 H TYR 21 HN TYR 21 49.801 8.772 5.056 120 HA TYR 21 HA TYR 21 51.280 10.620 3.320 121 HB2 TYR 21 HB2 TYR 21 52.706 8.426 4.822 122 HB3 TYR 21 HB1 TYR 21 53.414 9.735 3.876 123 HD1 TYR 21 HD2 TYR 21 53.078 12.137 4.675 124 HD2 TYR 21 HD1 TYR 21 52.217 8.713 7.122 125 HE1 TYR 21 HE2 TYR 21 53.143 13.568 6.699 126 HE2 TYR 21 HE1 TYR 21 52.282 10.144 9.146 127 HH TYR 21 HH TYR 21 52.368 13.595 8.955 128 H THR 22 HN THR 22 49.142 8.419 3.204 129 HA THR 22 HA THR 22 49.892 7.350 0.690 130 HB THR 22 HB THR 22 51.384 5.915 1.955 131 HG1 THR 22 HG1 THR 22 50.264 3.872 1.514 132 HG21 THR 22 HG21 THR 22 48.947 5.055 3.534 133 HG22 THR 22 HG22 THR 22 50.158 6.190 4.130 134 HG23 THR 22 HG23 THR 22 50.611 4.522 3.778 135 H ASP 23 HN ASP 23 47.918 7.056 3.593 136 HA ASP 23 HA ASP 23 45.741 5.736 2.224 137 HB2 ASP 23 HB2 ASP 23 45.392 5.170 4.371 138 HB3 ASP 23 HB1 ASP 23 46.414 6.479 4.962 139 H TRP 24 HN TRP 24 46.829 8.949 2.581 140 HA TRP 24 HA TRP 24 44.167 10.066 2.014 141 HB2 TRP 24 HB2 TRP 24 44.962 12.121 2.766 142 HB3 TRP 24 HB1 TRP 24 45.844 10.993 3.795 143 HD1 TRP 24 HD1 TRP 24 48.394 10.390 3.009 144 HE1 TRP 24 HE1 TRP 24 50.133 11.866 1.804 145 HE3 TRP 24 HE3 TRP 24 45.324 14.003 1.111 146 HZ2 TRP 24 HZ2 TRP 24 50.211 14.261 0.243 147 HZ3 TRP 24 HZ3 TRP 24 46.256 15.868 -0.229 148 HH2 TRP 24 HH2 TRP 24 48.692 16.001 -0.665 149 H LYS 25 HN LYS 25 45.845 8.520 0.082 150 HA LYS 25 HA LYS 25 47.187 9.945 -1.813 151 HB2 LYS 25 HB2 LYS 25 45.940 7.441 -1.708 152 HB3 LYS 25 HB1 LYS 25 45.242 8.235 -3.119 153 HG2 LYS 25 HG2 LYS 25 47.231 7.105 -3.866 154 HG3 LYS 25 HG1 LYS 25 47.603 8.828 -3.830 155 HD2 LYS 25 HD2 LYS 25 48.193 7.904 -1.244 156 HD3 LYS 25 HD1 LYS 25 48.823 6.664 -2.329 157 HE2 LYS 25 HE2 LYS 25 49.397 9.634 -2.546 158 HE3 LYS 25 HE1 LYS 25 50.508 8.426 -1.904 159 HZ1 LYS 25 HZ1 LYS 25 49.717 8.945 -4.656 160 HZ2 LYS 25 HZ2 LYS 25 49.918 7.315 -4.226 161 HZ3 LYS 25 HZ3 LYS 25 51.202 8.410 -4.036 162 H SER 26 HN SER 26 46.685 11.199 -3.609 163 HA SER 26 HA SER 26 44.059 12.524 -3.473 164 HB2 SER 26 HB2 SER 26 45.172 14.269 -4.884 165 HB3 SER 26 HB1 SER 26 45.928 14.044 -3.310 166 HG SER 26 HG SER 26 46.877 13.519 -5.843 167 H SER 27 HN SER 27 42.820 11.003 -4.605 168 HA SER 27 HA SER 27 43.459 9.757 -7.011 169 HB2 SER 27 HB2 SER 27 41.057 9.466 -7.320 170 HB3 SER 27 HB1 SER 27 41.476 9.212 -5.629 171 HG SER 27 HG SER 27 39.740 10.918 -6.624 172 H GLY 28 HN GLY 28 43.003 13.054 -6.399 173 HA2 GLY 28 HA2 GLY 28 43.769 14.187 -8.670 174 HA3 GLY 28 HA1 GLY 28 42.135 13.706 -9.114 175 H ALA 29 HN ALA 29 43.775 15.278 -6.354 176 HA ALA 29 HA ALA 29 43.059 16.984 -4.970 177 HB1 ALA 29 HB1 ALA 29 43.666 17.985 -7.358 178 HB2 ALA 29 HB2 ALA 29 43.002 19.000 -6.077 179 HB3 ALA 29 HB3 ALA 29 41.949 18.390 -7.355 180 H LEU 30 HN LEU 30 41.169 14.896 -5.170 181 HA LEU 30 HA LEU 30 38.642 16.414 -4.900 182 HB2 LEU 30 HB2 LEU 30 38.570 15.031 -6.927 183 HB3 LEU 30 HB1 LEU 30 38.990 13.606 -5.978 184 HG LEU 30 HG LEU 30 36.709 15.086 -4.878 185 HD11 LEU 30 HD11 LEU 30 36.246 15.530 -7.235 186 HD12 LEU 30 HD12 LEU 30 35.132 14.297 -6.644 187 HD13 LEU 30 HD13 LEU 30 36.516 13.834 -7.633 188 HD21 LEU 30 HD21 LEU 30 37.545 12.767 -4.267 189 HD22 LEU 30 HD22 LEU 30 36.947 12.219 -5.833 190 HD23 LEU 30 HD23 LEU 30 35.823 12.858 -4.633 191 H ILE 31 HN ILE 31 40.827 14.030 -3.646 192 HA ILE 31 HA ILE 31 39.089 12.866 -1.726 193 HB ILE 31 HB ILE 31 41.930 12.742 -2.409 194 HG12 ILE 31 HG12 ILE 31 41.567 10.393 -1.805 195 HG13 ILE 31 HG11 ILE 31 40.013 10.807 -1.080 196 HG21 ILE 31 HG21 ILE 31 42.320 13.588 -0.161 197 HG22 ILE 31 HG22 ILE 31 42.599 11.849 -0.158 198 HG23 ILE 31 HG23 ILE 31 41.101 12.495 0.504 199 HD11 ILE 31 HD11 ILE 31 40.294 11.799 -3.825 200 HD12 ILE 31 HD12 ILE 31 38.976 10.884 -3.091 201 HD13 ILE 31 HD13 ILE 31 40.395 10.041 -3.712 202 HA PRO 32 HA PRO 32 41.183 16.212 1.199 203 HB2 PRO 32 HB2 PRO 32 41.132 18.494 -0.703 204 HB3 PRO 32 HB1 PRO 32 42.365 18.045 0.490 205 HG2 PRO 32 HG2 PRO 32 42.749 17.693 -2.126 206 HG3 PRO 32 HG1 PRO 32 43.388 16.561 -0.923 207 HD2 PRO 32 HD2 PRO 32 41.029 16.251 -2.737 208 HD3 PRO 32 HD1 PRO 32 42.189 15.028 -2.175 209 H ALA 33 HN ALA 33 38.918 17.115 -1.377 210 HA ALA 33 HA ALA 33 37.323 18.912 0.078 211 HB1 ALA 33 HB1 ALA 33 36.168 17.058 -1.985 212 HB2 ALA 33 HB2 ALA 33 37.309 18.317 -2.455 213 HB3 ALA 33 HB3 ALA 33 35.786 18.752 -1.678 214 H ILE 34 HN ILE 34 36.516 15.522 -0.715 215 HA ILE 34 HA ILE 34 34.355 15.270 1.026 216 HB ILE 34 HB ILE 34 36.321 13.214 0.006 217 HG12 ILE 34 HG12 ILE 34 33.426 13.458 -0.750 218 HG13 ILE 34 HG11 ILE 34 34.588 14.584 -1.451 219 HG21 ILE 34 HG21 ILE 34 35.460 12.141 1.904 220 HG22 ILE 34 HG22 ILE 34 34.316 11.661 0.650 221 HG23 ILE 34 HG23 ILE 34 33.901 12.954 1.775 222 HD11 ILE 34 HD11 ILE 34 35.935 12.717 -2.289 223 HD12 ILE 34 HD12 ILE 34 34.276 12.565 -2.869 224 HD13 ILE 34 HD13 ILE 34 34.838 11.563 -1.531 225 H TYR 35 HN TYR 35 37.809 14.805 1.607 226 HA TYR 35 HA TYR 35 37.516 13.770 4.254 227 HB2 TYR 35 HB2 TYR 35 39.591 13.244 3.394 228 HB3 TYR 35 HB1 TYR 35 39.773 14.804 2.590 229 HD1 TYR 35 HD2 TYR 35 39.602 13.245 5.990 230 HD2 TYR 35 HD1 TYR 35 41.029 16.515 3.598 231 HE1 TYR 35 HE2 TYR 35 40.901 14.093 7.924 232 HE2 TYR 35 HE1 TYR 35 42.327 17.364 5.532 233 HH TYR 35 HH TYR 35 41.971 15.982 8.732 234 H MET 36 HN MET 36 37.848 16.987 2.873 235 HA MET 36 HA MET 36 38.386 18.381 5.281 236 HB2 MET 36 HB2 MET 36 37.493 19.091 2.539 237 HB3 MET 36 HB1 MET 36 37.144 20.259 3.813 238 HG2 MET 36 HG2 MET 36 39.883 19.038 3.409 239 HG3 MET 36 HG1 MET 36 39.391 20.558 2.664 240 HE1 MET 36 HE1 MET 36 38.246 22.335 3.841 241 HE2 MET 36 HE2 MET 36 39.915 22.888 3.955 242 HE3 MET 36 HE3 MET 36 38.852 23.024 5.353 243 H LEU 37 HN LEU 37 35.337 17.955 3.471 244 HA LEU 37 HA LEU 37 33.707 19.172 5.456 245 HB2 LEU 37 HB2 LEU 37 32.825 17.133 3.407 246 HB3 LEU 37 HB1 LEU 37 31.846 18.385 4.172 247 HG LEU 37 HG LEU 37 34.201 18.871 2.323 248 HD11 LEU 37 HD11 LEU 37 32.248 19.942 0.968 249 HD12 LEU 37 HD12 LEU 37 31.209 18.928 1.969 250 HD13 LEU 37 HD13 LEU 37 32.430 18.188 0.933 251 HD21 LEU 37 HD21 LEU 37 34.182 20.728 3.746 252 HD22 LEU 37 HD22 LEU 37 32.436 20.653 3.984 253 HD23 LEU 37 HD23 LEU 37 33.095 21.252 2.461 254 H VAL 38 HN VAL 38 35.155 16.074 5.201 255 HA VAL 38 HA VAL 38 33.311 14.925 7.190 256 HB VAL 38 HB VAL 38 35.435 13.647 5.455 257 HG11 VAL 38 HG11 VAL 38 33.845 12.668 7.788 258 HG12 VAL 38 HG12 VAL 38 35.477 12.232 7.281 259 HG13 VAL 38 HG13 VAL 38 34.081 11.563 6.434 260 HG21 VAL 38 HG21 VAL 38 33.038 14.444 4.623 261 HG22 VAL 38 HG22 VAL 38 32.518 12.964 5.429 262 HG23 VAL 38 HG23 VAL 38 33.696 12.888 4.119 263 H PHE 39 HN PHE 39 36.281 16.494 6.960 264 HA PHE 39 HA PHE 39 37.765 15.114 8.961 265 HB2 PHE 39 HB2 PHE 39 39.070 16.492 7.593 266 HB3 PHE 39 HB1 PHE 39 37.939 17.840 7.708 267 HD1 PHE 39 HD2 PHE 39 39.695 15.638 10.194 268 HD2 PHE 39 HD1 PHE 39 38.826 19.641 8.898 269 HE1 PHE 39 HE2 PHE 39 40.974 16.539 12.118 270 HE2 PHE 39 HE1 PHE 39 40.104 20.541 10.822 271 HZ PHE 39 HZ PHE 39 41.177 18.991 12.433 272 H LEU 40 HN LEU 40 35.383 17.695 9.023 273 HA LEU 40 HA LEU 40 35.713 17.962 11.938 274 HB2 LEU 40 HB2 LEU 40 34.166 19.932 11.632 275 HB3 LEU 40 HB1 LEU 40 35.719 20.079 10.807 276 HG LEU 40 HG LEU 40 33.686 18.749 9.169 277 HD11 LEU 40 HD11 LEU 40 32.456 20.893 8.703 278 HD12 LEU 40 HD12 LEU 40 33.244 21.595 10.117 279 HD13 LEU 40 HD13 LEU 40 32.141 20.231 10.308 280 HD21 LEU 40 HD21 LEU 40 35.230 21.306 8.670 281 HD22 LEU 40 HD22 LEU 40 34.602 20.172 7.474 282 HD23 LEU 40 HD23 LEU 40 35.960 19.709 8.499 283 H LEU 41 HN LEU 41 33.944 16.211 9.748 284 HA LEU 41 HA LEU 41 31.802 15.768 11.726 285 HB2 LEU 41 HB2 LEU 41 31.487 16.342 8.785 286 HB3 LEU 41 HB1 LEU 41 30.260 15.454 9.690 287 HG LEU 41 HG LEU 41 31.243 17.958 10.945 288 HD11 LEU 41 HD11 LEU 41 29.457 17.953 8.492 289 HD12 LEU 41 HD12 LEU 41 31.075 18.647 8.591 290 HD13 LEU 41 HD13 LEU 41 29.757 19.347 9.530 291 HD21 LEU 41 HD21 LEU 41 29.406 16.383 11.781 292 HD22 LEU 41 HD22 LEU 41 28.425 16.975 10.440 293 HD23 LEU 41 HD23 LEU 41 28.974 18.091 11.691 294 H GLY 42 HN GLY 42 33.763 14.085 11.875 295 HA2 GLY 42 HA2 GLY 42 32.689 11.574 11.140 296 HA3 GLY 42 HA1 GLY 42 33.999 11.989 10.039 297 H THR 43 HN THR 43 35.441 13.515 12.098 298 HA THR 43 HA THR 43 36.325 11.319 13.868 299 HB THR 43 HB THR 43 37.931 13.078 12.044 300 HG1 THR 43 HG1 THR 43 38.785 11.159 11.495 301 HG21 THR 43 HG21 THR 43 39.929 12.228 13.464 302 HG22 THR 43 HG22 THR 43 38.737 12.017 14.745 303 HG23 THR 43 HG23 THR 43 39.020 13.617 14.059 304 H THR 44 HN THR 44 36.414 14.825 13.271 305 HA THR 44 HA THR 44 37.401 15.820 15.597 306 HB THR 44 HB THR 44 35.133 16.745 13.862 307 HG1 THR 44 HG1 THR 44 37.766 17.569 14.473 308 HG21 THR 44 HG21 THR 44 34.371 17.615 15.906 309 HG22 THR 44 HG22 THR 44 35.373 18.920 15.268 310 HG23 THR 44 HG23 THR 44 36.007 17.852 16.520 311 H GLY 45 HN GLY 45 34.342 14.188 15.157 312 HA2 GLY 45 HA2 GLY 45 32.987 14.945 17.479 313 HA3 GLY 45 HA1 GLY 45 32.802 13.392 16.670 314 H ASN 46 HN ASN 46 34.522 11.753 17.141 315 HA ASN 46 HA ASN 46 35.334 10.344 18.792 316 HB2 ASN 46 HB2 ASN 46 37.363 11.433 18.247 317 HB3 ASN 46 HB1 ASN 46 36.892 12.907 19.090 318 HD21 ASN 46 HD21 ASN 46 37.506 13.082 21.271 319 HD22 ASN 46 HD22 ASN 46 38.154 11.807 22.184 320 H GLY 47 HN GLY 47 33.534 10.015 20.117 321 HA2 GLY 47 HA2 GLY 47 33.576 10.184 22.741 322 HA3 GLY 47 HA1 GLY 47 33.120 11.845 22.373 323 H LEU 48 HN LEU 48 31.632 10.881 19.945 324 HA LEU 48 HA LEU 48 29.204 9.968 21.362 325 HB2 LEU 48 HB2 LEU 48 29.335 11.351 18.673 326 HB3 LEU 48 HB1 LEU 48 27.907 11.048 19.654 327 HG LEU 48 HG LEU 48 28.501 13.361 19.962 328 HD11 LEU 48 HD11 LEU 48 27.941 11.843 21.989 329 HD12 LEU 48 HD12 LEU 48 28.605 13.445 22.309 330 HD13 LEU 48 HD13 LEU 48 29.646 12.025 22.406 331 HD21 LEU 48 HD21 LEU 48 31.146 12.882 21.188 332 HD22 LEU 48 HD22 LEU 48 30.626 14.168 20.103 333 HD23 LEU 48 HD23 LEU 48 31.093 12.601 19.448 334 H VAL 49 HN VAL 49 31.639 8.777 19.537 335 HA VAL 49 HA VAL 49 29.926 6.980 17.951 336 HB VAL 49 HB VAL 49 31.840 6.491 16.635 337 HG11 VAL 49 HG11 VAL 49 32.571 8.696 15.897 338 HG12 VAL 49 HG12 VAL 49 32.074 9.408 17.432 339 HG13 VAL 49 HG13 VAL 49 30.860 8.771 16.322 340 HG21 VAL 49 HG21 VAL 49 33.655 6.093 18.000 341 HG22 VAL 49 HG22 VAL 49 33.280 7.447 19.065 342 HG23 VAL 49 HG23 VAL 49 34.056 7.739 17.509 343 H LEU 50 HN LEU 50 30.241 6.790 20.874 344 HA LEU 50 HA LEU 50 30.788 3.962 21.007 345 HB2 LEU 50 HB2 LEU 50 32.564 4.111 22.698 346 HB3 LEU 50 HB1 LEU 50 33.074 4.850 21.180 347 HG LEU 50 HG LEU 50 31.874 6.959 22.503 348 HD11 LEU 50 HD11 LEU 50 33.464 5.318 24.502 349 HD12 LEU 50 HD12 LEU 50 31.724 5.603 24.566 350 HD13 LEU 50 HD13 LEU 50 32.846 6.948 24.769 351 HD21 LEU 50 HD21 LEU 50 34.750 6.036 22.322 352 HD22 LEU 50 HD22 LEU 50 34.307 7.608 22.987 353 HD23 LEU 50 HD23 LEU 50 33.926 7.221 21.309 354 H TRP 51 HN TRP 51 30.016 6.993 22.619 355 HA TRP 51 HA TRP 51 28.916 5.635 24.945 356 HB2 TRP 51 HB2 TRP 51 29.786 7.634 25.660 357 HB3 TRP 51 HB1 TRP 51 29.419 8.460 24.145 358 HD1 TRP 51 HD1 TRP 51 27.110 6.624 26.659 359 HE1 TRP 51 HE1 TRP 51 25.176 8.216 27.270 360 HE3 TRP 51 HE3 TRP 51 28.487 10.753 23.991 361 HZ2 TRP 51 HZ2 TRP 51 24.324 10.886 26.701 362 HZ3 TRP 51 HZ3 TRP 51 27.099 12.806 24.043 363 HH2 TRP 51 HH2 TRP 51 25.020 12.876 25.393 364 H THR 52 HN THR 52 27.435 8.219 23.002 365 HA THR 52 HA THR 52 24.798 7.513 23.519 366 HB THR 52 HB THR 52 25.852 9.603 22.313 367 HG1 THR 52 HG1 THR 52 23.589 9.088 22.882 368 HG21 THR 52 HG21 THR 52 25.806 9.580 19.962 369 HG22 THR 52 HG22 THR 52 24.827 8.115 19.904 370 HG23 THR 52 HG23 THR 52 26.526 8.023 20.368 371 H VAL 53 HN VAL 53 27.076 5.833 21.678 372 HA VAL 53 HA VAL 53 25.108 4.571 19.923 373 HB VAL 53 HB VAL 53 28.100 4.239 20.222 374 HG11 VAL 53 HG11 VAL 53 26.063 2.747 18.572 375 HG12 VAL 53 HG12 VAL 53 27.381 2.097 19.547 376 HG13 VAL 53 HG13 VAL 53 27.730 2.909 18.021 377 HG21 VAL 53 HG21 VAL 53 26.296 5.468 18.116 378 HG22 VAL 53 HG22 VAL 53 28.014 5.161 17.867 379 HG23 VAL 53 HG23 VAL 53 27.492 6.298 19.110 380 H PHE 54 HN PHE 54 26.655 4.042 22.954 381 HA PHE 54 HA PHE 54 26.626 1.239 23.111 382 HB2 PHE 54 HB2 PHE 54 27.774 2.532 24.792 383 HB3 PHE 54 HB1 PHE 54 26.275 3.337 25.263 384 HD1 PHE 54 HD2 PHE 54 27.929 -0.006 25.075 385 HD2 PHE 54 HD1 PHE 54 24.826 2.368 26.861 386 HE1 PHE 54 HE2 PHE 54 27.441 -1.842 26.670 387 HE2 PHE 54 HE1 PHE 54 24.338 0.532 28.455 388 HZ PHE 54 HZ PHE 54 25.647 -1.573 28.360 389 H ARG 55 HN ARG 55 24.057 3.567 23.254 390 HA ARG 55 HA ARG 55 22.164 1.508 24.185 391 HB2 ARG 55 HB2 ARG 55 20.630 3.686 24.107 392 HB3 ARG 55 HB1 ARG 55 21.672 3.337 25.485 393 HG2 ARG 55 HG2 ARG 55 22.821 4.876 23.187 394 HG3 ARG 55 HG1 ARG 55 21.737 5.711 24.298 395 HD2 ARG 55 HD2 ARG 55 23.907 4.029 25.477 396 HD3 ARG 55 HD1 ARG 55 24.360 5.572 24.762 397 HE ARG 55 HE ARG 55 22.963 5.191 27.232 398 HH11 ARG 55 HH21 ARG 55 23.274 7.228 24.452 399 HH12 ARG 55 HH22 ARG 55 22.763 8.664 25.276 400 HH21 ARG 55 HH11 ARG 55 22.295 7.070 28.319 401 HH22 ARG 55 HH12 ARG 55 22.208 8.575 27.464 402 H LYS 56 HN LYS 56 23.197 3.229 21.404 403 HA LYS 56 HA LYS 56 20.752 2.468 19.929 404 HB2 LYS 56 HB2 LYS 56 22.944 4.355 19.045 405 HB3 LYS 56 HB1 LYS 56 21.370 4.116 18.285 406 HG2 LYS 56 HG2 LYS 56 21.827 5.195 21.083 407 HG3 LYS 56 HG1 LYS 56 21.378 6.157 19.675 408 HD2 LYS 56 HD2 LYS 56 19.389 4.442 19.496 409 HD3 LYS 56 HD1 LYS 56 19.738 4.159 21.203 410 HE2 LYS 56 HE2 LYS 56 18.177 5.899 21.306 411 HE3 LYS 56 HE1 LYS 56 19.708 6.772 21.373 412 HZ1 LYS 56 HZ1 LYS 56 18.143 6.269 18.900 413 HZ2 LYS 56 HZ2 LYS 56 19.575 7.177 19.018 414 HZ3 LYS 56 HZ3 LYS 56 18.151 7.728 19.763 415 H LYS 57 HN LYS 57 23.320 0.902 20.716 416 HA LYS 57 HA LYS 57 24.674 0.286 18.301 417 HB2 LYS 57 HB2 LYS 57 25.515 -0.166 20.637 418 HB3 LYS 57 HB1 LYS 57 24.375 -1.511 20.710 419 HG2 LYS 57 HG2 LYS 57 25.987 -2.764 19.745 420 HG3 LYS 57 HG1 LYS 57 25.660 -1.864 18.264 421 HD2 LYS 57 HD2 LYS 57 27.334 -0.168 18.931 422 HD3 LYS 57 HD1 LYS 57 27.679 -1.096 20.392 423 HE2 LYS 57 HE2 LYS 57 27.821 -2.866 18.143 424 HE3 LYS 57 HE1 LYS 57 28.803 -1.442 17.796 425 HZ1 LYS 57 HZ1 LYS 57 28.963 -3.066 20.278 426 HZ2 LYS 57 HZ2 LYS 57 29.937 -1.729 19.891 427 HZ3 LYS 57 HZ3 LYS 57 30.050 -3.159 18.980 428 H GLY 58 HN GLY 58 22.479 0.199 17.114 429 HA2 GLY 58 HA2 GLY 58 20.584 -1.746 17.263 430 HA3 GLY 58 HA1 GLY 58 21.216 -1.161 15.727 431 H HIS 59 HN HIS 59 23.613 -2.123 15.398 432 HA HIS 59 HA HIS 59 24.140 -4.746 16.318 433 HB2 HIS 59 HB2 HIS 59 22.087 -4.649 14.402 434 HB3 HIS 59 HB1 HIS 59 23.523 -5.184 13.528 435 HD2 HIS 59 HD2 HIS 59 22.401 -6.210 17.218 436 HE1 HIS 59 HE1 HIS 59 23.031 -9.700 14.926 437 HE2 HIS 59 HE2 HIS 59 22.438 -8.822 17.234 438 H HIS 60 HN HIS 60 26.269 -4.937 16.101 439 HA HIS 60 HA HIS 60 28.389 -4.829 15.209 440 HB2 HIS 60 HB2 HIS 60 26.902 -5.345 13.042 441 HB3 HIS 60 HB1 HIS 60 27.449 -3.724 12.611 442 HD2 HIS 60 HD2 HIS 60 29.339 -6.977 13.975 443 HE1 HIS 60 HE1 HIS 60 31.762 -5.029 11.119 444 HE2 HIS 60 HE2 HIS 60 31.605 -7.027 12.679 445 H HIS 61 HN HIS 61 29.410 -2.946 13.338 446 HA HIS 61 HA HIS 61 28.763 -0.327 14.500 447 HB2 HIS 61 HB2 HIS 61 30.783 -1.630 15.627 448 HB3 HIS 61 HB1 HIS 61 31.652 -1.022 14.217 449 HD2 HIS 61 HD2 HIS 61 29.775 1.902 14.282 450 HE1 HIS 61 HE1 HIS 61 31.953 2.461 17.855 451 HE2 HIS 61 HE2 HIS 61 30.542 3.621 16.091 452 H HIS 62 HN HIS 62 31.159 0.845 13.317 453 HA HIS 62 HA HIS 62 31.636 1.980 11.368 454 HB2 HIS 62 HB2 HIS 62 32.721 -0.218 10.964 455 HB3 HIS 62 HB1 HIS 62 31.242 -0.777 10.180 456 HD2 HIS 62 HD2 HIS 62 30.927 0.082 7.535 457 HE1 HIS 62 HE1 HIS 62 34.289 2.632 7.406 458 HE2 HIS 62 HE2 HIS 62 32.438 1.580 6.021 459 H HIS 63 HN HIS 63 29.479 3.045 11.651 460 HA HIS 63 HA HIS 63 28.092 3.098 9.167 461 HB2 HIS 63 HB2 HIS 63 27.140 1.004 10.207 462 HB3 HIS 63 HB1 HIS 63 26.477 2.022 11.484 463 HD2 HIS 63 HD2 HIS 63 24.889 0.495 8.658 464 HE1 HIS 63 HE1 HIS 63 23.549 4.480 8.279 465 HE2 HIS 63 HE2 HIS 63 23.149 2.085 7.536 466 H HIS 64 HN HIS 64 29.135 5.220 10.022 467 HA HIS 64 HA HIS 64 27.942 6.712 12.080 468 HB2 HIS 64 HB2 HIS 64 29.876 7.147 10.022 469 HB3 HIS 64 HB1 HIS 64 28.726 8.485 9.997 470 HD2 HIS 64 HD2 HIS 64 28.188 8.905 13.179 471 HE1 HIS 64 HE1 HIS 64 32.388 9.063 13.576 472 HE2 HIS 64 HE2 HIS 64 30.183 9.611 14.710 Start of MODEL 22 1 H1 MET 1 HT1 MET 1 46.144 -31.019 -3.017 2 H2 MET 1 HT2 MET 1 44.590 -30.355 -2.837 3 H3 MET 1 HT3 MET 1 45.939 -29.335 -3.001 4 HA MET 1 HA MET 1 45.903 -31.065 -5.199 5 HB2 MET 1 HB2 MET 1 43.400 -31.073 -4.385 6 HB3 MET 1 HB1 MET 1 43.370 -29.455 -5.088 7 HG2 MET 1 HG2 MET 1 44.311 -30.458 -7.209 8 HG3 MET 1 HG1 MET 1 44.060 -32.050 -6.491 9 HE1 MET 1 HE1 MET 1 41.993 -33.371 -6.856 10 HE2 MET 1 HE2 MET 1 40.431 -32.701 -6.394 11 HE3 MET 1 HE3 MET 1 41.785 -32.615 -5.271 12 H GLU 2 HN GLU 2 47.282 -29.897 -6.374 13 HA GLU 2 HA GLU 2 47.355 -26.994 -6.116 14 HB2 GLU 2 HB2 GLU 2 49.129 -29.055 -7.397 15 HB3 GLU 2 HB1 GLU 2 49.311 -27.344 -7.790 16 HG2 GLU 2 HG2 GLU 2 49.261 -28.362 -4.943 17 HG3 GLU 2 HG1 GLU 2 50.754 -28.195 -5.865 18 H GLU 3 HN GLU 3 45.073 -27.091 -7.135 19 HA GLU 3 HA GLU 3 44.669 -27.681 -9.842 20 HB2 GLU 3 HB2 GLU 3 43.353 -25.623 -8.058 21 HB3 GLU 3 HB1 GLU 3 42.781 -26.028 -9.677 22 HG2 GLU 3 HG2 GLU 3 42.361 -28.309 -9.044 23 HG3 GLU 3 HG1 GLU 3 43.172 -28.089 -7.495 24 H GLY 4 HN GLY 4 44.697 -26.402 -11.710 25 HA2 GLY 4 HA2 GLY 4 45.045 -23.940 -12.414 26 HA3 GLY 4 HA1 GLY 4 46.588 -24.144 -11.589 27 H GLY 5 HN GLY 5 44.837 -26.475 -13.611 28 HA2 GLY 5 HA2 GLY 5 47.139 -27.295 -15.028 29 HA3 GLY 5 HA1 GLY 5 45.476 -27.637 -15.492 30 H ASP 6 HN ASP 6 47.395 -27.142 -17.416 31 HA ASP 6 HA ASP 6 47.690 -24.491 -18.263 32 HB2 ASP 6 HB2 ASP 6 47.842 -27.163 -19.550 33 HB3 ASP 6 HB1 ASP 6 47.649 -25.777 -20.622 34 H PHE 7 HN PHE 7 44.862 -26.199 -17.876 35 HA PHE 7 HA PHE 7 43.295 -25.581 -20.093 36 HB2 PHE 7 HB2 PHE 7 42.841 -26.350 -17.317 37 HB3 PHE 7 HB1 PHE 7 41.574 -25.290 -17.937 38 HD1 PHE 7 HD1 PHE 7 43.508 -28.386 -18.738 39 HD2 PHE 7 HD2 PHE 7 39.925 -26.113 -19.409 40 HE1 PHE 7 HE1 PHE 7 42.547 -30.279 -20.021 41 HE2 PHE 7 HE2 PHE 7 38.964 -28.006 -20.691 42 HZ PHE 7 HZ PHE 7 40.275 -30.089 -20.997 43 H ASP 8 HN ASP 8 42.879 -23.829 -17.032 44 HA ASP 8 HA ASP 8 41.652 -21.582 -18.032 45 HB2 ASP 8 HB2 ASP 8 42.798 -22.360 -15.567 46 HB3 ASP 8 HB1 ASP 8 43.462 -20.773 -15.953 47 H ASN 9 HN ASN 9 42.240 -19.840 -19.182 48 HA ASN 9 HA ASN 9 45.059 -19.630 -19.997 49 HB2 ASN 9 HB2 ASN 9 43.500 -19.768 -21.837 50 HB3 ASN 9 HB1 ASN 9 42.527 -18.460 -21.167 51 HD21 ASN 9 HD21 ASN 9 43.995 -16.358 -20.728 52 HD22 ASN 9 HD22 ASN 9 45.037 -15.950 -22.004 53 H TYR 10 HN TYR 10 42.430 -17.807 -18.514 54 HA TYR 10 HA TYR 10 44.109 -15.434 -18.226 55 HB2 TYR 10 HB2 TYR 10 41.249 -16.021 -17.430 56 HB3 TYR 10 HB1 TYR 10 42.061 -14.484 -17.131 57 HD1 TYR 10 HD2 TYR 10 43.106 -13.271 -19.158 58 HD2 TYR 10 HD1 TYR 10 40.240 -16.450 -19.515 59 HE1 TYR 10 HE2 TYR 10 42.591 -12.546 -21.472 60 HE2 TYR 10 HE1 TYR 10 39.724 -15.725 -21.829 61 HH TYR 10 HH TYR 10 41.024 -14.420 -23.678 62 H TYR 11 HN TYR 11 41.920 -16.860 -15.832 63 HA TYR 11 HA TYR 11 42.236 -17.466 -13.636 64 HB2 TYR 11 HB2 TYR 11 44.264 -18.677 -14.815 65 HB3 TYR 11 HB1 TYR 11 45.210 -17.455 -13.965 66 HD1 TYR 11 HD2 TYR 11 42.881 -20.300 -13.560 67 HD2 TYR 11 HD1 TYR 11 45.392 -17.450 -11.552 68 HE1 TYR 11 HE2 TYR 11 42.671 -21.596 -11.456 69 HE2 TYR 11 HE1 TYR 11 45.181 -18.747 -9.448 70 HH TYR 11 HH TYR 11 43.284 -21.767 -9.335 71 H GLY 12 HN GLY 12 42.704 -16.481 -11.640 72 HA2 GLY 12 HA2 GLY 12 42.805 -14.564 -10.339 73 HA3 GLY 12 HA1 GLY 12 44.452 -14.519 -10.961 74 H ALA 13 HN ALA 13 41.589 -14.154 -12.963 75 HA ALA 13 HA ALA 13 42.553 -11.736 -14.127 76 HB1 ALA 13 HB1 ALA 13 40.736 -11.886 -15.556 77 HB2 ALA 13 HB2 ALA 13 39.675 -12.542 -14.310 78 HB3 ALA 13 HB3 ALA 13 40.900 -13.569 -15.056 79 H ASP 14 HN ASP 14 40.242 -12.489 -11.582 80 HA ASP 14 HA ASP 14 38.967 -10.013 -11.339 81 HB2 ASP 14 HB2 ASP 14 38.229 -12.014 -10.131 82 HB3 ASP 14 HB1 ASP 14 39.698 -11.982 -9.159 83 H ASN 15 HN ASN 15 42.224 -10.747 -10.932 84 HA ASN 15 HA ASN 15 42.979 -9.096 -8.780 85 HB2 ASN 15 HB2 ASN 15 44.429 -10.032 -11.251 86 HB3 ASN 15 HB1 ASN 15 45.205 -9.002 -10.050 87 HD21 ASN 15 HD21 ASN 15 44.267 -10.024 -7.642 88 HD22 ASN 15 HD22 ASN 15 44.725 -11.650 -7.479 89 H GLN 16 HN GLN 16 42.302 -8.399 -12.159 90 HA GLN 16 HA GLN 16 42.999 -5.568 -11.734 91 HB2 GLN 16 HB2 GLN 16 42.356 -7.038 -14.302 92 HB3 GLN 16 HB1 GLN 16 42.904 -5.367 -14.170 93 HG2 GLN 16 HG2 GLN 16 44.672 -7.131 -12.703 94 HG3 GLN 16 HG1 GLN 16 44.518 -7.664 -14.377 95 HE21 GLN 16 HE21 GLN 16 45.461 -6.346 -16.025 96 HE22 GLN 16 HE22 GLN 16 46.338 -4.934 -15.684 97 H SER 17 HN SER 17 40.696 -6.515 -10.446 98 HA SER 17 HA SER 17 38.468 -5.525 -12.098 99 HB2 SER 17 HB2 SER 17 38.570 -7.154 -9.561 100 HB3 SER 17 HB1 SER 17 37.079 -6.440 -10.168 101 HG SER 17 HG SER 17 37.813 -8.702 -10.845 102 H GLU 18 HN GLU 18 36.720 -4.635 -10.239 103 HA GLU 18 HA GLU 18 37.532 -2.003 -9.746 104 HB2 GLU 18 HB2 GLU 18 35.302 -3.697 -8.635 105 HB3 GLU 18 HB1 GLU 18 35.538 -2.028 -8.116 106 HG2 GLU 18 HG2 GLU 18 34.925 -1.159 -10.151 107 HG3 GLU 18 HG1 GLU 18 35.573 -2.531 -11.049 108 H CYS 19 HN CYS 19 39.639 -2.298 -8.753 109 HA CYS 19 HA CYS 19 39.426 -2.368 -5.838 110 HB2 CYS 19 HB2 CYS 19 40.765 -4.430 -7.470 111 HB3 CYS 19 HB1 CYS 19 41.732 -3.784 -6.142 112 HG CYS 19 HG CYS 19 39.312 -4.315 -4.753 113 H GLU 20 HN GLU 20 41.368 -1.803 -8.729 114 HA GLU 20 HA GLU 20 42.668 0.444 -7.337 115 HB2 GLU 20 HB2 GLU 20 44.332 -1.146 -9.227 116 HB3 GLU 20 HB1 GLU 20 44.812 -0.233 -7.796 117 HG2 GLU 20 HG2 GLU 20 43.670 -1.979 -6.389 118 HG3 GLU 20 HG1 GLU 20 43.417 -2.922 -7.856 119 H TYR 21 HN TYR 21 40.503 0.079 -9.392 120 HA TYR 21 HA TYR 21 41.618 1.962 -11.356 121 HB2 TYR 21 HB2 TYR 21 39.970 -0.469 -12.097 122 HB3 TYR 21 HB1 TYR 21 40.551 0.773 -13.208 123 HD1 TYR 21 HD1 TYR 21 41.510 -2.079 -11.084 124 HD2 TYR 21 HD2 TYR 21 42.916 0.938 -13.799 125 HE1 TYR 21 HE1 TYR 21 43.666 -3.284 -11.305 126 HE2 TYR 21 HE2 TYR 21 45.073 -0.268 -14.021 127 HH TYR 21 HH TYR 21 45.853 -3.024 -11.995 128 H THR 22 HN THR 22 39.824 2.169 -9.009 129 HA THR 22 HA THR 22 37.810 3.817 -10.222 130 HB THR 22 HB THR 22 36.689 1.684 -10.537 131 HG1 THR 22 HG1 THR 22 34.955 2.092 -8.864 132 HG21 THR 22 HG21 THR 22 37.029 1.289 -7.552 133 HG22 THR 22 HG22 THR 22 37.984 0.462 -8.784 134 HG23 THR 22 HG23 THR 22 36.246 0.179 -8.678 135 H ASP 23 HN ASP 23 39.068 2.186 -7.366 136 HA ASP 23 HA ASP 23 37.785 3.892 -5.463 137 HB2 ASP 23 HB2 ASP 23 38.474 1.805 -4.620 138 HB3 ASP 23 HB1 ASP 23 40.081 1.950 -5.330 139 H TRP 24 HN TRP 24 41.297 3.563 -5.893 140 HA TRP 24 HA TRP 24 42.127 5.904 -4.791 141 HB2 TRP 24 HB2 TRP 24 44.124 5.742 -6.100 142 HB3 TRP 24 HB1 TRP 24 43.573 4.092 -5.814 143 HD1 TRP 24 HD1 TRP 24 41.783 3.217 -7.885 144 HE1 TRP 24 HE1 TRP 24 42.195 3.406 -10.423 145 HE3 TRP 24 HE3 TRP 24 45.297 6.922 -7.934 146 HZ2 TRP 24 HZ2 TRP 24 43.803 4.926 -12.234 147 HZ3 TRP 24 HZ3 TRP 24 46.252 7.720 -10.078 148 HH2 TRP 24 HH2 TRP 24 45.510 6.728 -12.226 149 H LYS 25 HN LYS 25 41.147 5.487 -8.191 150 HA LYS 25 HA LYS 25 40.779 7.049 -9.841 151 HB2 LYS 25 HB2 LYS 25 38.631 6.897 -8.673 152 HB3 LYS 25 HB1 LYS 25 39.137 8.162 -7.554 153 HG2 LYS 25 HG2 LYS 25 38.777 9.815 -9.066 154 HG3 LYS 25 HG1 LYS 25 39.445 8.868 -10.394 155 HD2 LYS 25 HD2 LYS 25 36.757 8.200 -9.196 156 HD3 LYS 25 HD1 LYS 25 36.916 9.405 -10.474 157 HE2 LYS 25 HE2 LYS 25 38.357 6.884 -10.998 158 HE3 LYS 25 HE1 LYS 25 36.604 6.717 -10.915 159 HZ1 LYS 25 HZ1 LYS 25 38.141 7.764 -13.000 160 HZ2 LYS 25 HZ2 LYS 25 37.207 9.034 -12.365 161 HZ3 LYS 25 HZ3 LYS 25 36.454 7.613 -12.916 162 H SER 26 HN SER 26 40.343 9.473 -7.346 163 HA SER 26 HA SER 26 42.510 11.038 -8.560 164 HB2 SER 26 HB2 SER 26 40.005 11.673 -7.109 165 HB3 SER 26 HB1 SER 26 41.367 12.749 -6.817 166 HG SER 26 HG SER 26 40.023 12.146 -9.217 167 H SER 27 HN SER 27 41.244 10.808 -5.232 168 HA SER 27 HA SER 27 42.322 10.442 -3.227 169 HB2 SER 27 HB2 SER 27 43.626 8.751 -4.809 170 HB3 SER 27 HB1 SER 27 44.936 9.902 -4.562 171 HG SER 27 HG SER 27 43.845 9.552 -2.218 172 H GLY 28 HN GLY 28 43.445 12.564 -5.654 173 HA2 GLY 28 HA2 GLY 28 44.591 14.326 -3.583 174 HA3 GLY 28 HA1 GLY 28 45.490 14.026 -5.067 175 H ALA 29 HN ALA 29 42.255 13.927 -5.789 176 HA ALA 29 HA ALA 29 42.155 16.805 -6.454 177 HB1 ALA 29 HB1 ALA 29 42.058 14.499 -8.215 178 HB2 ALA 29 HB2 ALA 29 42.215 16.209 -8.616 179 HB3 ALA 29 HB3 ALA 29 40.618 15.502 -8.375 180 H LEU 30 HN LEU 30 40.538 13.984 -5.283 181 HA LEU 30 HA LEU 30 38.036 15.531 -4.961 182 HB2 LEU 30 HB2 LEU 30 38.593 12.654 -5.521 183 HB3 LEU 30 HB1 LEU 30 37.186 13.041 -4.536 184 HG LEU 30 HG LEU 30 36.703 12.887 -7.005 185 HD11 LEU 30 HD11 LEU 30 36.101 15.696 -6.632 186 HD12 LEU 30 HD12 LEU 30 35.821 14.806 -5.137 187 HD13 LEU 30 HD13 LEU 30 35.006 14.314 -6.621 188 HD21 LEU 30 HD21 LEU 30 38.071 15.544 -7.304 189 HD22 LEU 30 HD22 LEU 30 37.651 14.361 -8.541 190 HD23 LEU 30 HD23 LEU 30 39.013 14.061 -7.461 191 H ILE 31 HN ILE 31 40.548 13.711 -3.406 192 HA ILE 31 HA ILE 31 39.202 13.415 -0.891 193 HB ILE 31 HB ILE 31 41.954 12.883 -1.920 194 HG12 ILE 31 HG12 ILE 31 41.454 10.665 -1.057 195 HG13 ILE 31 HG11 ILE 31 40.005 11.268 -0.252 196 HG21 ILE 31 HG21 ILE 31 42.588 13.918 0.121 197 HG22 ILE 31 HG22 ILE 31 42.508 12.199 0.501 198 HG23 ILE 31 HG23 ILE 31 41.190 13.267 0.978 199 HD11 ILE 31 HD11 ILE 31 39.794 10.096 -2.597 200 HD12 ILE 31 HD12 ILE 31 40.319 11.664 -3.211 201 HD13 ILE 31 HD13 ILE 31 38.842 11.541 -2.256 202 HA PRO 32 HA PRO 32 42.122 17.225 0.133 203 HB2 PRO 32 HB2 PRO 32 41.590 18.836 -2.296 204 HB3 PRO 32 HB1 PRO 32 43.110 18.586 -1.417 205 HG2 PRO 32 HG2 PRO 32 42.641 17.469 -3.804 206 HG3 PRO 32 HG1 PRO 32 43.609 16.669 -2.555 207 HD2 PRO 32 HD2 PRO 32 40.795 16.109 -3.406 208 HD3 PRO 32 HD1 PRO 32 42.057 14.984 -2.860 209 H ALA 33 HN ALA 33 39.030 16.663 -0.817 210 HA ALA 33 HA ALA 33 38.045 19.085 0.547 211 HB1 ALA 33 HB1 ALA 33 36.636 17.894 -1.838 212 HB2 ALA 33 HB2 ALA 33 37.813 19.197 -1.998 213 HB3 ALA 33 HB3 ALA 33 36.341 19.449 -1.059 214 H ILE 34 HN ILE 34 36.570 16.212 -0.964 215 HA ILE 34 HA ILE 34 34.496 15.767 0.728 216 HB ILE 34 HB ILE 34 36.331 13.801 -0.629 217 HG12 ILE 34 HG12 ILE 34 33.409 14.449 -1.100 218 HG13 ILE 34 HG11 ILE 34 34.719 15.321 -1.898 219 HG21 ILE 34 HG21 ILE 34 33.981 13.303 1.193 220 HG22 ILE 34 HG22 ILE 34 35.544 12.487 1.162 221 HG23 ILE 34 HG23 ILE 34 34.365 12.181 -0.112 222 HD11 ILE 34 HD11 ILE 34 34.864 12.354 -1.998 223 HD12 ILE 34 HD12 ILE 34 35.273 13.543 -3.235 224 HD13 ILE 34 HD13 ILE 34 33.587 13.108 -2.953 225 H TYR 35 HN TYR 35 37.846 15.498 1.496 226 HA TYR 35 HA TYR 35 37.435 13.882 3.873 227 HB2 TYR 35 HB2 TYR 35 39.525 13.718 2.561 228 HB3 TYR 35 HB1 TYR 35 39.884 15.401 2.947 229 HD1 TYR 35 HD1 TYR 35 39.137 12.102 4.548 230 HD2 TYR 35 HD2 TYR 35 41.010 15.949 4.936 231 HE1 TYR 35 HE1 TYR 35 40.145 11.395 6.701 232 HE2 TYR 35 HE2 TYR 35 42.018 15.240 7.089 233 HH TYR 35 HH TYR 35 41.005 12.539 8.791 234 H MET 36 HN MET 36 38.018 17.273 3.061 235 HA MET 36 HA MET 36 38.375 18.232 5.695 236 HB2 MET 36 HB2 MET 36 38.891 19.484 3.568 237 HB3 MET 36 HB1 MET 36 37.157 19.752 3.381 238 HG2 MET 36 HG2 MET 36 37.389 21.565 4.701 239 HG3 MET 36 HG1 MET 36 37.703 20.458 6.038 240 HE1 MET 36 HE1 MET 36 39.276 23.370 3.920 241 HE2 MET 36 HE2 MET 36 39.080 21.937 2.915 242 HE3 MET 36 HE3 MET 36 40.697 22.527 3.286 243 H LEU 37 HN LEU 37 35.478 17.938 3.655 244 HA LEU 37 HA LEU 37 33.655 19.119 5.449 245 HB2 LEU 37 HB2 LEU 37 33.035 16.889 3.505 246 HB3 LEU 37 HB1 LEU 37 31.933 18.125 4.111 247 HG LEU 37 HG LEU 37 34.374 18.628 2.385 248 HD11 LEU 37 HD11 LEU 37 32.646 17.674 1.029 249 HD12 LEU 37 HD12 LEU 37 32.567 19.417 0.769 250 HD13 LEU 37 HD13 LEU 37 31.399 18.629 1.831 251 HD21 LEU 37 HD21 LEU 37 33.126 20.943 2.287 252 HD22 LEU 37 HD22 LEU 37 34.162 20.576 3.666 253 HD23 LEU 37 HD23 LEU 37 32.412 20.408 3.808 254 H VAL 38 HN VAL 38 35.080 15.938 5.318 255 HA VAL 38 HA VAL 38 33.275 14.977 7.435 256 HB VAL 38 HB VAL 38 35.311 13.512 5.741 257 HG11 VAL 38 HG11 VAL 38 33.825 11.563 6.810 258 HG12 VAL 38 HG12 VAL 38 33.660 12.744 8.109 259 HG13 VAL 38 HG13 VAL 38 35.260 12.180 7.627 260 HG21 VAL 38 HG21 VAL 38 32.442 12.813 5.657 261 HG22 VAL 38 HG22 VAL 38 33.598 12.981 4.335 262 HG23 VAL 38 HG23 VAL 38 32.824 14.411 5.017 263 H PHE 39 HN PHE 39 36.219 16.502 7.094 264 HA PHE 39 HA PHE 39 37.795 15.155 9.042 265 HB2 PHE 39 HB2 PHE 39 38.845 16.645 7.445 266 HB3 PHE 39 HB1 PHE 39 37.887 18.006 8.029 267 HD1 PHE 39 HD1 PHE 39 40.482 15.526 9.026 268 HD2 PHE 39 HD2 PHE 39 38.549 19.250 9.943 269 HE1 PHE 39 HE1 PHE 39 42.187 15.982 10.769 270 HE2 PHE 39 HE2 PHE 39 40.253 19.706 11.685 271 HZ PHE 39 HZ PHE 39 42.072 18.072 12.098 272 H LEU 40 HN LEU 40 35.386 17.712 9.193 273 HA LEU 40 HA LEU 40 35.798 17.952 12.101 274 HB2 LEU 40 HB2 LEU 40 34.280 19.938 11.875 275 HB3 LEU 40 HB1 LEU 40 35.780 20.077 10.958 276 HG LEU 40 HG LEU 40 33.720 18.760 9.391 277 HD11 LEU 40 HD11 LEU 40 32.137 20.069 10.680 278 HD12 LEU 40 HD12 LEU 40 32.320 20.828 9.098 279 HD13 LEU 40 HD13 LEU 40 33.130 21.517 10.506 280 HD21 LEU 40 HD21 LEU 40 35.106 21.426 8.984 281 HD22 LEU 40 HD22 LEU 40 34.416 20.381 7.742 282 HD23 LEU 40 HD23 LEU 40 35.860 19.874 8.620 283 H LEU 41 HN LEU 41 33.953 16.256 9.919 284 HA LEU 41 HA LEU 41 31.866 15.783 11.948 285 HB2 LEU 41 HB2 LEU 41 31.473 16.355 9.012 286 HB3 LEU 41 HB1 LEU 41 30.259 15.515 9.976 287 HG LEU 41 HG LEU 41 31.298 17.952 11.252 288 HD11 LEU 41 HD11 LEU 41 29.692 18.139 8.684 289 HD12 LEU 41 HD12 LEU 41 31.349 18.698 8.905 290 HD13 LEU 41 HD13 LEU 41 30.031 19.482 9.776 291 HD21 LEU 41 HD21 LEU 41 29.295 16.483 11.896 292 HD22 LEU 41 HD22 LEU 41 28.461 17.200 10.518 293 HD23 LEU 41 HD23 LEU 41 29.003 18.222 11.849 294 H GLY 42 HN GLY 42 33.568 14.014 12.244 295 HA2 GLY 42 HA2 GLY 42 32.550 11.555 11.417 296 HA3 GLY 42 HA1 GLY 42 33.860 11.956 10.312 297 H THR 43 HN THR 43 35.267 13.471 12.471 298 HA THR 43 HA THR 43 36.076 11.269 14.252 299 HB THR 43 HB THR 43 37.639 11.241 12.360 300 HG1 THR 43 HG1 THR 43 38.441 10.860 14.459 301 HG21 THR 43 HG21 THR 43 38.863 13.137 11.666 302 HG22 THR 43 HG22 THR 43 38.459 14.039 13.127 303 HG23 THR 43 HG23 THR 43 37.226 13.750 11.900 304 H THR 44 HN THR 44 35.614 14.624 13.616 305 HA THR 44 HA THR 44 36.995 15.611 15.937 306 HB THR 44 HB THR 44 35.018 16.831 14.011 307 HG1 THR 44 HG1 THR 44 37.407 18.026 14.355 308 HG21 THR 44 HG21 THR 44 35.731 18.997 15.232 309 HG22 THR 44 HG22 THR 44 36.186 17.932 16.561 310 HG23 THR 44 HG23 THR 44 34.514 17.984 16.006 311 H GLY 45 HN GLY 45 34.079 13.982 15.461 312 HA2 GLY 45 HA2 GLY 45 32.690 15.219 17.714 313 HA3 GLY 45 HA1 GLY 45 32.066 13.940 16.677 314 H ASN 46 HN ASN 46 34.881 12.667 17.144 315 HA ASN 46 HA ASN 46 34.465 11.689 19.886 316 HB2 ASN 46 HB2 ASN 46 34.092 9.528 19.307 317 HB3 ASN 46 HB1 ASN 46 33.529 10.233 17.793 318 HD21 ASN 46 HD21 ASN 46 35.810 10.887 16.428 319 HD22 ASN 46 HD22 ASN 46 36.799 9.525 16.203 320 H GLY 47 HN GLY 47 36.476 13.143 17.853 321 HA2 GLY 47 HA2 GLY 47 38.890 11.598 18.439 322 HA3 GLY 47 HA1 GLY 47 38.788 13.024 17.410 323 H LEU 48 HN LEU 48 37.083 13.555 20.236 324 HA LEU 48 HA LEU 48 39.295 15.163 21.324 325 HB2 LEU 48 HB2 LEU 48 36.342 15.268 21.985 326 HB3 LEU 48 HB1 LEU 48 37.575 16.414 22.507 327 HG LEU 48 HG LEU 48 36.809 15.862 19.623 328 HD11 LEU 48 HD11 LEU 48 35.131 17.317 19.986 329 HD12 LEU 48 HD12 LEU 48 36.339 18.550 20.345 330 HD13 LEU 48 HD13 LEU 48 35.661 17.576 21.649 331 HD21 LEU 48 HD21 LEU 48 38.900 17.554 20.961 332 HD22 LEU 48 HD22 LEU 48 38.161 18.134 19.469 333 HD23 LEU 48 HD23 LEU 48 39.017 16.593 19.487 334 H VAL 49 HN VAL 49 36.965 12.658 22.180 335 HA VAL 49 HA VAL 49 37.359 12.510 24.926 336 HB VAL 49 HB VAL 49 36.975 9.942 24.455 337 HG11 VAL 49 HG11 VAL 49 35.084 12.247 24.002 338 HG12 VAL 49 HG12 VAL 49 35.212 11.187 25.405 339 HG13 VAL 49 HG13 VAL 49 34.520 10.579 23.902 340 HG21 VAL 49 HG21 VAL 49 37.555 10.606 21.928 341 HG22 VAL 49 HG22 VAL 49 35.831 10.974 21.894 342 HG23 VAL 49 HG23 VAL 49 36.378 9.348 22.303 343 H LEU 50 HN LEU 50 39.661 12.146 22.527 344 HA LEU 50 HA LEU 50 41.352 10.367 24.158 345 HB2 LEU 50 HB2 LEU 50 42.006 11.367 21.393 346 HB3 LEU 50 HB1 LEU 50 42.616 9.931 22.216 347 HG LEU 50 HG LEU 50 39.781 10.376 21.240 348 HD11 LEU 50 HD11 LEU 50 41.698 9.765 19.608 349 HD12 LEU 50 HD12 LEU 50 40.253 8.755 19.587 350 HD13 LEU 50 HD13 LEU 50 41.703 8.200 20.422 351 HD21 LEU 50 HD21 LEU 50 41.045 8.329 23.033 352 HD22 LEU 50 HD22 LEU 50 39.769 7.814 21.929 353 HD23 LEU 50 HD23 LEU 50 39.444 9.062 23.131 354 H TRP 51 HN TRP 51 41.541 13.426 22.332 355 HA TRP 51 HA TRP 51 44.007 14.179 23.643 356 HB2 TRP 51 HB2 TRP 51 43.980 15.061 21.516 357 HB3 TRP 51 HB1 TRP 51 42.241 15.349 21.540 358 HD1 TRP 51 HD1 TRP 51 45.005 16.591 23.950 359 HE1 TRP 51 HE1 TRP 51 44.819 19.157 24.121 360 HE3 TRP 51 HE3 TRP 51 41.217 17.427 20.629 361 HZ2 TRP 51 HZ2 TRP 51 43.271 21.283 22.998 362 HZ3 TRP 51 HZ3 TRP 51 40.407 19.729 20.198 363 HH2 TRP 51 HH2 TRP 51 41.429 21.656 21.378 364 H THR 52 HN THR 52 40.796 15.744 23.454 365 HA THR 52 HA THR 52 41.153 17.613 25.464 366 HB THR 52 HB THR 52 38.664 16.126 24.611 367 HG1 THR 52 HG1 THR 52 39.580 17.500 23.076 368 HG21 THR 52 HG21 THR 52 39.071 18.339 26.615 369 HG22 THR 52 HG22 THR 52 38.110 16.869 26.778 370 HG23 THR 52 HG23 THR 52 37.551 18.177 25.735 371 H VAL 53 HN VAL 53 41.198 14.265 25.769 372 HA VAL 53 HA VAL 53 40.348 14.318 28.585 373 HB VAL 53 HB VAL 53 40.727 12.140 26.554 374 HG11 VAL 53 HG11 VAL 53 40.239 10.604 28.600 375 HG12 VAL 53 HG12 VAL 53 40.887 11.937 29.557 376 HG13 VAL 53 HG13 VAL 53 41.895 11.151 28.341 377 HG21 VAL 53 HG21 VAL 53 38.540 12.815 28.549 378 HG22 VAL 53 HG22 VAL 53 38.467 11.540 27.333 379 HG23 VAL 53 HG23 VAL 53 38.519 13.231 26.835 380 H PHE 54 HN PHE 54 43.132 13.897 26.519 381 HA PHE 54 HA PHE 54 44.935 12.669 28.245 382 HB2 PHE 54 HB2 PHE 54 45.218 13.418 25.774 383 HB3 PHE 54 HB1 PHE 54 45.772 14.944 26.465 384 HD1 PHE 54 HD2 PHE 54 46.434 11.304 26.259 385 HD2 PHE 54 HD1 PHE 54 47.889 15.115 27.605 386 HE1 PHE 54 HE2 PHE 54 48.662 10.302 26.689 387 HE2 PHE 54 HE1 PHE 54 50.116 14.113 28.036 388 HZ PHE 54 HZ PHE 54 50.502 11.707 27.577 389 H ARG 55 HN ARG 55 43.360 15.631 28.631 390 HA ARG 55 HA ARG 55 45.448 16.696 30.416 391 HB2 ARG 55 HB2 ARG 55 42.898 18.053 29.521 392 HB3 ARG 55 HB1 ARG 55 44.299 18.800 30.291 393 HG2 ARG 55 HG2 ARG 55 45.029 19.239 28.196 394 HG3 ARG 55 HG1 ARG 55 45.400 17.517 28.094 395 HD2 ARG 55 HD2 ARG 55 44.040 18.019 26.191 396 HD3 ARG 55 HD1 ARG 55 43.003 17.164 27.329 397 HE ARG 55 HE ARG 55 41.719 19.082 27.479 398 HH11 ARG 55 HH21 ARG 55 44.893 19.828 26.317 399 HH12 ARG 55 HH22 ARG 55 44.542 21.499 26.023 400 HH21 ARG 55 HH11 ARG 55 41.252 21.272 27.095 401 HH22 ARG 55 HH12 ARG 55 42.482 22.316 26.463 402 H LYS 56 HN LYS 56 42.413 15.099 30.408 403 HA LYS 56 HA LYS 56 41.752 15.924 33.136 404 HB2 LYS 56 HB2 LYS 56 40.349 14.408 30.970 405 HB3 LYS 56 HB1 LYS 56 39.844 14.173 32.644 406 HG2 LYS 56 HG2 LYS 56 38.560 15.989 31.536 407 HG3 LYS 56 HG1 LYS 56 39.497 16.585 32.905 408 HD2 LYS 56 HD2 LYS 56 41.196 17.481 31.463 409 HD3 LYS 56 HD1 LYS 56 40.510 16.669 30.055 410 HE2 LYS 56 HE2 LYS 56 38.624 18.097 30.003 411 HE3 LYS 56 HE1 LYS 56 38.905 18.665 31.650 412 HZ1 LYS 56 HZ1 LYS 56 40.295 19.396 29.169 413 HZ2 LYS 56 HZ2 LYS 56 41.146 19.462 30.638 414 HZ3 LYS 56 HZ3 LYS 56 39.740 20.391 30.426 415 H LYS 57 HN LYS 57 43.779 13.730 31.749 416 HA LYS 57 HA LYS 57 43.363 11.280 32.925 417 HB2 LYS 57 HB2 LYS 57 45.856 11.043 32.949 418 HB3 LYS 57 HB1 LYS 57 45.210 11.607 31.410 419 HG2 LYS 57 HG2 LYS 57 46.607 13.367 31.550 420 HG3 LYS 57 HG1 LYS 57 45.666 13.937 32.926 421 HD2 LYS 57 HD2 LYS 57 47.961 13.763 33.646 422 HD3 LYS 57 HD1 LYS 57 47.066 12.442 34.399 423 HE2 LYS 57 HE2 LYS 57 47.917 11.452 31.902 424 HE3 LYS 57 HE1 LYS 57 49.306 12.307 32.572 425 HZ1 LYS 57 HZ1 LYS 57 49.371 10.093 33.375 426 HZ2 LYS 57 HZ2 LYS 57 47.739 10.136 33.847 427 HZ3 LYS 57 HZ3 LYS 57 48.892 11.070 34.676 428 H GLY 58 HN GLY 58 44.690 14.198 34.412 429 HA2 GLY 58 HA2 GLY 58 45.375 14.618 36.590 430 HA3 GLY 58 HA1 GLY 58 43.805 13.907 36.947 431 H HIS 59 HN HIS 59 47.239 13.422 36.934 432 HA HIS 59 HA HIS 59 46.980 11.211 38.780 433 HB2 HIS 59 HB2 HIS 59 47.605 10.764 35.941 434 HB3 HIS 59 HB1 HIS 59 48.758 10.038 37.059 435 HD2 HIS 59 HD2 HIS 59 45.241 9.334 35.695 436 HE1 HIS 59 HE1 HIS 59 45.716 6.850 39.075 437 HE2 HIS 59 HE2 HIS 59 44.259 7.331 37.052 438 H HIS 60 HN HIS 60 49.215 12.957 36.626 439 HA HIS 60 HA HIS 60 51.322 12.775 38.657 440 HB2 HIS 60 HB2 HIS 60 51.227 13.123 35.755 441 HB3 HIS 60 HB1 HIS 60 52.333 14.247 36.545 442 HD2 HIS 60 HD2 HIS 60 51.806 10.530 37.809 443 HE1 HIS 60 HE1 HIS 60 55.793 10.961 36.488 444 HE2 HIS 60 HE2 HIS 60 54.148 9.390 37.615 445 H HIS 61 HN HIS 61 49.844 15.310 36.618 446 HA HIS 61 HA HIS 61 49.473 17.543 37.000 447 HB2 HIS 61 HB2 HIS 61 48.742 16.193 39.362 448 HB3 HIS 61 HB1 HIS 61 49.672 17.601 39.875 449 HD2 HIS 61 HD2 HIS 61 48.648 19.815 37.702 450 HE1 HIS 61 HE1 HIS 61 44.746 18.736 38.903 451 HE2 HIS 61 HE2 HIS 61 46.130 20.507 37.721 452 H HIS 62 HN HIS 62 50.693 19.376 37.119 453 HA HIS 62 HA HIS 62 53.501 19.013 37.867 454 HB2 HIS 62 HB2 HIS 62 53.954 20.947 36.564 455 HB3 HIS 62 HB1 HIS 62 52.753 20.034 35.651 456 HD2 HIS 62 HD2 HIS 62 52.760 23.291 35.216 457 HE1 HIS 62 HE1 HIS 62 49.360 23.295 37.718 458 HE2 HIS 62 HE2 HIS 62 50.675 24.644 36.016 459 H HIS 63 HN HIS 63 54.004 21.810 38.295 460 HA HIS 63 HA HIS 63 52.437 22.625 40.595 461 HB2 HIS 63 HB2 HIS 63 55.329 21.784 40.911 462 HB3 HIS 63 HB1 HIS 63 54.386 22.637 42.133 463 HD2 HIS 63 HD2 HIS 63 52.178 21.071 43.212 464 HE1 HIS 63 HE1 HIS 63 53.671 17.394 41.772 465 HE2 HIS 63 HE2 HIS 63 51.973 18.470 43.323 466 H HIS 64 HN HIS 64 52.575 24.032 38.360 467 HA HIS 64 HA HIS 64 54.630 25.711 37.734 468 HB2 HIS 64 HB2 HIS 64 52.513 25.797 36.548 469 HB3 HIS 64 HB1 HIS 64 51.700 26.427 37.981 470 HD2 HIS 64 HD2 HIS 64 51.182 28.984 36.880 471 HE1 HIS 64 HE1 HIS 64 55.219 30.049 36.258 472 HE2 HIS 64 HE2 HIS 64 52.829 30.905 36.237 Start of MODEL 23 1 H1 MET 1 HT1 MET 1 55.239 48.501 -2.657 2 H2 MET 1 HT2 MET 1 54.634 47.488 -1.434 3 H3 MET 1 HT3 MET 1 54.946 49.126 -1.107 4 HA MET 1 HA MET 1 52.913 48.148 -3.036 5 HB2 MET 1 HB2 MET 1 51.302 48.972 -1.287 6 HB3 MET 1 HB1 MET 1 52.228 47.556 -0.788 7 HG2 MET 1 HG2 MET 1 53.817 49.020 0.412 8 HG3 MET 1 HG1 MET 1 52.876 50.431 -0.074 9 HE1 MET 1 HE1 MET 1 53.727 49.280 2.906 10 HE2 MET 1 HE2 MET 1 53.457 47.641 2.318 11 HE3 MET 1 HE3 MET 1 52.510 48.250 3.672 12 H GLU 2 HN GLU 2 54.840 49.984 -3.783 13 HA GLU 2 HA GLU 2 53.810 52.664 -3.294 14 HB2 GLU 2 HB2 GLU 2 56.208 51.507 -4.653 15 HB3 GLU 2 HB1 GLU 2 55.689 53.135 -5.090 16 HG2 GLU 2 HG2 GLU 2 55.876 52.432 -2.187 17 HG3 GLU 2 HG1 GLU 2 57.368 52.744 -3.072 18 H GLU 3 HN GLU 3 51.846 52.877 -4.289 19 HA GLU 3 HA GLU 3 51.016 51.810 -6.711 20 HB2 GLU 3 HB2 GLU 3 50.266 54.328 -5.242 21 HB3 GLU 3 HB1 GLU 3 49.523 53.920 -6.789 22 HG2 GLU 3 HG2 GLU 3 48.501 51.997 -5.945 23 HG3 GLU 3 HG1 GLU 3 49.644 51.856 -4.611 24 H GLY 4 HN GLY 4 51.817 52.021 -8.691 25 HA2 GLY 4 HA2 GLY 4 53.419 54.399 -9.353 26 HA3 GLY 4 HA1 GLY 4 53.438 52.868 -10.224 27 H GLY 5 HN GLY 5 50.665 52.484 -10.511 28 HA2 GLY 5 HA2 GLY 5 49.149 54.600 -11.461 29 HA3 GLY 5 HA1 GLY 5 50.148 54.083 -12.816 30 H ASP 6 HN ASP 6 47.268 53.923 -12.615 31 HA ASP 6 HA ASP 6 46.301 51.383 -11.943 32 HB2 ASP 6 HB2 ASP 6 44.345 52.026 -12.965 33 HB3 ASP 6 HB1 ASP 6 45.103 53.605 -12.771 34 H PHE 7 HN PHE 7 48.625 52.123 -14.185 35 HA PHE 7 HA PHE 7 48.035 50.575 -16.431 36 HB2 PHE 7 HB2 PHE 7 50.417 51.744 -15.217 37 HB3 PHE 7 HB1 PHE 7 50.761 50.228 -16.051 38 HD1 PHE 7 HD2 PHE 7 49.123 53.555 -16.463 39 HD2 PHE 7 HD1 PHE 7 50.800 50.118 -18.417 40 HE1 PHE 7 HE2 PHE 7 48.966 54.720 -18.646 41 HE2 PHE 7 HE1 PHE 7 50.643 51.283 -20.600 42 HZ PHE 7 HZ PHE 7 49.726 53.583 -20.716 43 H ASP 8 HN ASP 8 50.376 49.513 -13.970 44 HA ASP 8 HA ASP 8 50.492 46.857 -14.550 45 HB2 ASP 8 HB2 ASP 8 51.755 48.080 -12.733 46 HB3 ASP 8 HB1 ASP 8 50.333 47.879 -11.712 47 H ASN 9 HN ASN 9 49.108 45.209 -14.609 48 HA ASN 9 HA ASN 9 46.877 45.057 -12.748 49 HB2 ASN 9 HB2 ASN 9 46.297 46.378 -14.994 50 HB3 ASN 9 HB1 ASN 9 46.109 44.736 -15.607 51 HD21 ASN 9 HD21 ASN 9 44.116 43.760 -15.193 52 HD22 ASN 9 HD22 ASN 9 43.002 44.295 -14.029 53 H TYR 10 HN TYR 10 48.605 43.695 -15.514 54 HA TYR 10 HA TYR 10 47.626 41.010 -14.914 55 HB2 TYR 10 HB2 TYR 10 49.760 41.522 -16.937 56 HB3 TYR 10 HB1 TYR 10 48.404 40.397 -16.994 57 HD1 TYR 10 HD2 TYR 10 46.078 41.267 -17.387 58 HD2 TYR 10 HD1 TYR 10 49.559 43.754 -17.769 59 HE1 TYR 10 HE2 TYR 10 44.752 42.926 -18.669 60 HE2 TYR 10 HE1 TYR 10 48.234 45.413 -19.050 61 HH TYR 10 HH TYR 10 44.995 45.554 -19.071 62 H TYR 11 HN TYR 11 50.878 42.375 -15.488 63 HA TYR 11 HA TYR 11 52.930 41.788 -14.627 64 HB2 TYR 11 HB2 TYR 11 52.135 42.938 -12.671 65 HB3 TYR 11 HB1 TYR 11 51.177 41.543 -12.175 66 HD1 TYR 11 HD2 TYR 11 54.696 42.588 -12.906 67 HD2 TYR 11 HD1 TYR 11 52.108 39.909 -10.767 68 HE1 TYR 11 HE2 TYR 11 56.650 41.681 -11.677 69 HE2 TYR 11 HE1 TYR 11 54.062 39.002 -9.538 70 HH TYR 11 HH TYR 11 56.262 39.061 -9.287 71 H GLY 12 HN GLY 12 51.266 39.676 -12.377 72 HA2 GLY 12 HA2 GLY 12 52.898 37.444 -12.962 73 HA3 GLY 12 HA1 GLY 12 51.409 37.405 -12.024 74 H ALA 13 HN ALA 13 49.435 37.983 -13.672 75 HA ALA 13 HA ALA 13 48.034 36.994 -15.206 76 HB1 ALA 13 HB1 ALA 13 50.359 36.698 -17.068 77 HB2 ALA 13 HB2 ALA 13 49.843 38.316 -16.589 78 HB3 ALA 13 HB3 ALA 13 48.714 37.237 -17.408 79 H ASP 14 HN ASP 14 48.196 35.076 -17.051 80 HA ASP 14 HA ASP 14 48.135 32.683 -15.667 81 HB2 ASP 14 HB2 ASP 14 48.799 33.086 -18.594 82 HB3 ASP 14 HB1 ASP 14 48.254 31.578 -17.861 83 H ASN 15 HN ASN 15 50.866 34.332 -17.108 84 HA ASN 15 HA ASN 15 52.740 32.283 -17.245 85 HB2 ASN 15 HB2 ASN 15 53.411 35.061 -16.284 86 HB3 ASN 15 HB1 ASN 15 54.406 33.966 -17.244 87 HD21 ASN 15 HD21 ASN 15 52.808 33.182 -19.316 88 HD22 ASN 15 HD22 ASN 15 52.240 34.518 -20.194 89 H GLN 16 HN GLN 16 51.614 34.133 -14.466 90 HA GLN 16 HA GLN 16 52.987 32.208 -12.709 91 HB2 GLN 16 HB2 GLN 16 52.943 35.184 -12.175 92 HB3 GLN 16 HB1 GLN 16 53.789 33.941 -11.252 93 HG2 GLN 16 HG2 GLN 16 55.160 33.422 -13.264 94 HG3 GLN 16 HG1 GLN 16 54.358 34.737 -14.122 95 HE21 GLN 16 HE21 GLN 16 57.191 34.106 -12.582 96 HE22 GLN 16 HE22 GLN 16 57.545 35.647 -11.967 97 H SER 17 HN SER 17 50.418 31.828 -13.261 98 HA SER 17 HA SER 17 49.119 32.379 -10.724 99 HB2 SER 17 HB2 SER 17 48.581 34.366 -12.170 100 HB3 SER 17 HB1 SER 17 47.778 33.266 -13.287 101 HG SER 17 HG SER 17 46.303 34.132 -11.794 102 H GLU 18 HN GLU 18 48.424 30.441 -10.149 103 HA GLU 18 HA GLU 18 47.873 28.190 -10.378 104 HB2 GLU 18 HB2 GLU 18 45.516 27.991 -11.164 105 HB3 GLU 18 HB1 GLU 18 45.758 29.273 -9.978 106 HG2 GLU 18 HG2 GLU 18 45.722 30.969 -11.679 107 HG3 GLU 18 HG1 GLU 18 45.786 29.766 -12.965 108 H CYS 19 HN CYS 19 49.754 28.581 -12.272 109 HA CYS 19 HA CYS 19 48.860 27.953 -14.920 110 HB2 CYS 19 HB2 CYS 19 50.940 29.023 -14.867 111 HB3 CYS 19 HB1 CYS 19 51.533 28.015 -13.546 112 HG CYS 19 HG CYS 19 52.440 26.475 -15.251 113 H GLU 20 HN GLU 20 51.136 25.998 -13.025 114 HA GLU 20 HA GLU 20 49.447 23.629 -13.414 115 HB2 GLU 20 HB2 GLU 20 52.249 23.979 -14.471 116 HB3 GLU 20 HB1 GLU 20 51.561 22.385 -14.154 117 HG2 GLU 20 HG2 GLU 20 49.664 22.913 -15.650 118 HG3 GLU 20 HG1 GLU 20 50.374 24.491 -15.985 119 H TYR 21 HN TYR 21 50.529 25.402 -11.183 120 HA TYR 21 HA TYR 21 51.961 23.339 -9.627 121 HB2 TYR 21 HB2 TYR 21 51.727 26.320 -9.150 122 HB3 TYR 21 HB1 TYR 21 52.636 25.188 -8.149 123 HD1 TYR 21 HD2 TYR 21 54.442 23.748 -9.345 124 HD2 TYR 21 HD1 TYR 21 52.752 27.331 -11.004 125 HE1 TYR 21 HE2 TYR 21 56.389 23.961 -10.867 126 HE2 TYR 21 HE1 TYR 21 54.698 27.545 -12.527 127 HH TYR 21 HH TYR 21 56.969 25.010 -12.970 128 H THR 22 HN THR 22 48.983 24.964 -9.983 129 HA THR 22 HA THR 22 48.028 23.790 -7.448 130 HB THR 22 HB THR 22 46.829 25.733 -6.859 131 HG1 THR 22 HG1 THR 22 46.072 27.009 -8.330 132 HG21 THR 22 HG21 THR 22 49.322 26.905 -8.092 133 HG22 THR 22 HG22 THR 22 49.391 25.841 -6.687 134 HG23 THR 22 HG23 THR 22 48.522 27.374 -6.593 135 H ASP 23 HN ASP 23 47.361 24.838 -10.729 136 HA ASP 23 HA ASP 23 44.696 24.463 -11.071 137 HB2 ASP 23 HB2 ASP 23 45.866 25.029 -13.009 138 HB3 ASP 23 HB1 ASP 23 47.028 23.718 -12.809 139 H TRP 24 HN TRP 24 46.969 22.065 -10.100 140 HA TRP 24 HA TRP 24 45.032 19.903 -10.613 141 HB2 TRP 24 HB2 TRP 24 47.063 18.467 -9.878 142 HB3 TRP 24 HB1 TRP 24 47.104 19.223 -11.469 143 HD1 TRP 24 HD1 TRP 24 48.318 21.792 -11.425 144 HE1 TRP 24 HE1 TRP 24 50.514 22.439 -10.241 145 HE3 TRP 24 HE3 TRP 24 48.642 17.993 -8.025 146 HZ2 TRP 24 HZ2 TRP 24 52.190 21.474 -8.133 147 HZ3 TRP 24 HZ3 TRP 24 50.547 17.882 -6.444 148 HH2 TRP 24 HH2 TRP 24 52.319 19.616 -6.493 149 H LYS 25 HN LYS 25 47.465 19.609 -8.168 150 HA LYS 25 HA LYS 25 47.334 19.191 -5.917 151 HB2 LYS 25 HB2 LYS 25 45.366 21.422 -6.316 152 HB3 LYS 25 HB1 LYS 25 45.547 20.675 -4.728 153 HG2 LYS 25 HG2 LYS 25 47.886 21.225 -4.645 154 HG3 LYS 25 HG1 LYS 25 47.887 21.726 -6.337 155 HD2 LYS 25 HD2 LYS 25 46.361 23.580 -5.804 156 HD3 LYS 25 HD1 LYS 25 46.321 23.074 -4.116 157 HE2 LYS 25 HE2 LYS 25 49.005 23.527 -5.331 158 HE3 LYS 25 HE1 LYS 25 48.023 24.954 -4.993 159 HZ1 LYS 25 HZ1 LYS 25 47.690 23.589 -2.742 160 HZ2 LYS 25 HZ2 LYS 25 48.933 24.724 -2.964 161 HZ3 LYS 25 HZ3 LYS 25 49.248 23.065 -3.156 162 H SER 26 HN SER 26 45.475 17.805 -7.932 163 HA SER 26 HA SER 26 44.398 15.842 -6.393 164 HB2 SER 26 HB2 SER 26 42.718 18.288 -6.310 165 HB3 SER 26 HB1 SER 26 41.884 16.752 -6.526 166 HG SER 26 HG SER 26 43.829 16.561 -4.661 167 H SER 27 HN SER 27 43.572 14.287 -7.677 168 HA SER 27 HA SER 27 43.444 14.797 -10.516 169 HB2 SER 27 HB2 SER 27 42.988 12.366 -10.665 170 HB3 SER 27 HB1 SER 27 44.422 12.719 -9.705 171 HG SER 27 HG SER 27 42.084 11.535 -8.987 172 H GLY 28 HN GLY 28 41.560 16.396 -9.639 173 HA2 GLY 28 HA2 GLY 28 39.320 16.193 -10.961 174 HA3 GLY 28 HA1 GLY 28 38.982 14.987 -9.723 175 H ALA 29 HN ALA 29 40.715 16.796 -7.885 176 HA ALA 29 HA ALA 29 40.386 18.538 -6.406 177 HB1 ALA 29 HB1 ALA 29 38.028 19.620 -7.844 178 HB2 ALA 29 HB2 ALA 29 39.552 19.612 -8.730 179 HB3 ALA 29 HB3 ALA 29 39.434 20.458 -7.187 180 H LEU 30 HN LEU 30 38.847 15.937 -6.458 181 HA LEU 30 HA LEU 30 36.483 16.752 -4.886 182 HB2 LEU 30 HB2 LEU 30 35.567 14.572 -5.346 183 HB3 LEU 30 HB1 LEU 30 36.120 15.262 -6.871 184 HG LEU 30 HG LEU 30 38.382 13.971 -5.957 185 HD11 LEU 30 HD11 LEU 30 36.819 12.980 -4.166 186 HD12 LEU 30 HD12 LEU 30 37.781 11.836 -5.104 187 HD13 LEU 30 HD13 LEU 30 36.076 12.076 -5.485 188 HD21 LEU 30 HD21 LEU 30 36.174 12.884 -7.734 189 HD22 LEU 30 HD22 LEU 30 37.840 12.305 -7.707 190 HD23 LEU 30 HD23 LEU 30 37.485 13.943 -8.252 191 H ILE 31 HN ILE 31 39.622 15.578 -4.585 192 HA ILE 31 HA ILE 31 39.227 13.863 -2.316 193 HB ILE 31 HB ILE 31 41.880 15.116 -2.702 194 HG12 ILE 31 HG12 ILE 31 40.426 13.565 -4.847 195 HG13 ILE 31 HG11 ILE 31 41.389 15.033 -5.014 196 HG21 ILE 31 HG21 ILE 31 41.131 12.198 -2.760 197 HG22 ILE 31 HG22 ILE 31 41.162 13.092 -1.240 198 HG23 ILE 31 HG23 ILE 31 42.631 12.941 -2.204 199 HD11 ILE 31 HD11 ILE 31 42.823 13.360 -5.833 200 HD12 ILE 31 HD12 ILE 31 42.330 12.205 -4.596 201 HD13 ILE 31 HD13 ILE 31 43.361 13.569 -4.166 202 HA PRO 32 HA PRO 32 40.830 17.901 -0.057 203 HB2 PRO 32 HB2 PRO 32 39.367 19.938 -1.632 204 HB3 PRO 32 HB1 PRO 32 41.029 19.970 -1.015 205 HG2 PRO 32 HG2 PRO 32 40.482 19.654 -3.616 206 HG3 PRO 32 HG1 PRO 32 41.870 18.873 -2.838 207 HD2 PRO 32 HD2 PRO 32 39.246 17.678 -3.654 208 HD3 PRO 32 HD1 PRO 32 40.871 16.961 -3.693 209 H ALA 33 HN ALA 33 37.800 17.009 -1.336 210 HA ALA 33 HA ALA 33 36.218 18.465 0.631 211 HB1 ALA 33 HB1 ALA 33 34.327 17.135 -0.429 212 HB2 ALA 33 HB2 ALA 33 35.523 16.513 -1.566 213 HB3 ALA 33 HB3 ALA 33 35.181 18.243 -1.503 214 H ILE 34 HN ILE 34 36.861 15.051 -0.191 215 HA ILE 34 HA ILE 34 35.538 13.953 2.050 216 HB ILE 34 HB ILE 34 37.816 12.837 0.399 217 HG12 ILE 34 HG12 ILE 34 35.118 11.732 0.091 218 HG13 ILE 34 HG11 ILE 34 35.211 13.438 -0.347 219 HG21 ILE 34 HG21 ILE 34 36.694 10.646 1.269 220 HG22 ILE 34 HG22 ILE 34 36.053 11.679 2.546 221 HG23 ILE 34 HG23 ILE 34 37.796 11.513 2.339 222 HD11 ILE 34 HD11 ILE 34 37.027 11.251 -1.403 223 HD12 ILE 34 HD12 ILE 34 37.117 12.957 -1.839 224 HD13 ILE 34 HD13 ILE 34 35.705 12.004 -2.294 225 H TYR 35 HN TYR 35 39.005 14.563 1.471 226 HA TYR 35 HA TYR 35 40.004 13.716 3.920 227 HB2 TYR 35 HB2 TYR 35 41.304 14.508 1.874 228 HB3 TYR 35 HB1 TYR 35 41.031 16.150 2.458 229 HD1 TYR 35 HD1 TYR 35 41.865 16.814 4.738 230 HD2 TYR 35 HD2 TYR 35 42.923 13.081 2.896 231 HE1 TYR 35 HE1 TYR 35 43.757 16.567 6.324 232 HE2 TYR 35 HE2 TYR 35 44.814 12.833 4.482 233 HH TYR 35 HH TYR 35 45.817 13.662 6.287 234 H MET 36 HN MET 36 38.242 16.616 3.112 235 HA MET 36 HA MET 36 38.910 18.070 5.492 236 HB2 MET 36 HB2 MET 36 38.087 19.102 3.347 237 HB3 MET 36 HB1 MET 36 36.492 18.443 3.715 238 HG2 MET 36 HG2 MET 36 36.102 20.276 4.963 239 HG3 MET 36 HG1 MET 36 37.338 19.704 6.083 240 HE1 MET 36 HE1 MET 36 39.673 20.210 6.084 241 HE2 MET 36 HE2 MET 36 40.542 21.392 5.107 242 HE3 MET 36 HE3 MET 36 40.048 19.859 4.390 243 H LEU 37 HN LEU 37 35.786 16.689 4.445 244 HA LEU 37 HA LEU 37 34.718 16.728 7.102 245 HB2 LEU 37 HB2 LEU 37 33.622 15.047 4.860 246 HB3 LEU 37 HB1 LEU 37 32.751 15.867 6.157 247 HG LEU 37 HG LEU 37 34.157 17.163 3.805 248 HD11 LEU 37 HD11 LEU 37 32.097 17.381 2.883 249 HD12 LEU 37 HD12 LEU 37 31.363 17.826 4.424 250 HD13 LEU 37 HD13 LEU 37 31.604 16.127 4.020 251 HD21 LEU 37 HD21 LEU 37 32.994 18.303 6.350 252 HD22 LEU 37 HD22 LEU 37 33.107 19.269 4.879 253 HD23 LEU 37 HD23 LEU 37 34.569 18.626 5.627 254 H VAL 38 HN VAL 38 37.145 15.387 7.191 255 HA VAL 38 HA VAL 38 36.252 12.695 7.985 256 HB VAL 38 HB VAL 38 38.567 13.390 6.190 257 HG11 VAL 38 HG11 VAL 38 39.675 12.070 7.802 258 HG12 VAL 38 HG12 VAL 38 39.167 10.893 6.588 259 HG13 VAL 38 HG13 VAL 38 38.252 11.065 8.086 260 HG21 VAL 38 HG21 VAL 38 36.733 11.014 5.999 261 HG22 VAL 38 HG22 VAL 38 37.572 11.876 4.709 262 HG23 VAL 38 HG23 VAL 38 36.159 12.599 5.481 263 H PHE 39 HN PHE 39 38.208 15.493 8.478 264 HA PHE 39 HA PHE 39 39.575 14.246 10.769 265 HB2 PHE 39 HB2 PHE 39 40.457 16.036 8.813 266 HB3 PHE 39 HB1 PHE 39 40.267 17.019 10.263 267 HD1 PHE 39 HD1 PHE 39 40.938 15.398 12.484 268 HD2 PHE 39 HD2 PHE 39 42.672 15.337 8.554 269 HE1 PHE 39 HE1 PHE 39 43.026 14.439 13.419 270 HE2 PHE 39 HE2 PHE 39 44.758 14.379 9.488 271 HZ PHE 39 HZ PHE 39 44.936 13.930 11.920 272 H LEU 40 HN LEU 40 37.420 16.906 9.889 273 HA LEU 40 HA LEU 40 37.025 17.515 12.749 274 HB2 LEU 40 HB2 LEU 40 35.751 19.525 11.699 275 HB3 LEU 40 HB1 LEU 40 37.515 19.528 11.665 276 HG LEU 40 HG LEU 40 36.200 18.182 9.377 277 HD11 LEU 40 HD11 LEU 40 35.891 20.482 8.286 278 HD12 LEU 40 HD12 LEU 40 35.952 21.146 9.919 279 HD13 LEU 40 HD13 LEU 40 34.676 20.012 9.475 280 HD21 LEU 40 HD21 LEU 40 38.290 20.357 9.345 281 HD22 LEU 40 HD22 LEU 40 38.067 19.028 8.207 282 HD23 LEU 40 HD23 LEU 40 38.708 18.711 9.819 283 H LEU 41 HN LEU 41 35.753 15.539 10.506 284 HA LEU 41 HA LEU 41 33.066 15.708 11.707 285 HB2 LEU 41 HB2 LEU 41 32.893 16.752 9.512 286 HB3 LEU 41 HB1 LEU 41 33.669 15.356 8.763 287 HG LEU 41 HG LEU 41 31.370 14.636 10.437 288 HD11 LEU 41 HD11 LEU 41 29.688 15.465 8.811 289 HD12 LEU 41 HD12 LEU 41 30.959 16.344 7.962 290 HD13 LEU 41 HD13 LEU 41 30.528 16.792 9.612 291 HD21 LEU 41 HD21 LEU 41 31.856 14.153 7.489 292 HD22 LEU 41 HD22 LEU 41 30.923 13.162 8.610 293 HD23 LEU 41 HD23 LEU 41 32.680 13.227 8.742 294 H GLY 42 HN GLY 42 35.540 13.808 10.088 295 HA2 GLY 42 HA2 GLY 42 34.402 11.320 9.885 296 HA3 GLY 42 HA1 GLY 42 36.089 11.576 10.318 297 H THR 43 HN THR 43 35.779 12.814 12.803 298 HA THR 43 HA THR 43 34.153 11.028 14.449 299 HB THR 43 HB THR 43 36.262 9.801 14.207 300 HG1 THR 43 HG1 THR 43 35.159 10.618 16.455 301 HG21 THR 43 HG21 THR 43 37.553 12.016 13.797 302 HG22 THR 43 HG22 THR 43 38.368 10.731 14.688 303 HG23 THR 43 HG23 THR 43 37.668 12.098 15.556 304 H THR 44 HN THR 44 36.628 13.589 14.456 305 HA THR 44 HA THR 44 36.089 14.649 16.987 306 HB THR 44 HB THR 44 37.135 15.904 14.451 307 HG1 THR 44 HG1 THR 44 38.617 15.777 16.758 308 HG21 THR 44 HG21 THR 44 36.190 17.768 15.548 309 HG22 THR 44 HG22 THR 44 37.866 17.758 16.097 310 HG23 THR 44 HG23 THR 44 36.590 17.139 17.146 311 H GLY 45 HN GLY 45 34.091 14.526 14.279 312 HA2 GLY 45 HA2 GLY 45 32.699 16.962 14.374 313 HA3 GLY 45 HA1 GLY 45 32.036 15.436 13.796 314 H ASN 46 HN ASN 46 32.572 14.147 16.426 315 HA ASN 46 HA ASN 46 30.893 15.557 18.322 316 HB2 ASN 46 HB2 ASN 46 29.938 13.107 16.847 317 HB3 ASN 46 HB1 ASN 46 29.302 13.553 18.430 318 HD21 ASN 46 HD21 ASN 46 29.637 14.731 15.066 319 HD22 ASN 46 HD22 ASN 46 28.352 15.835 15.161 320 H GLY 47 HN GLY 47 31.786 12.174 17.614 321 HA2 GLY 47 HA2 GLY 47 33.773 11.317 18.902 322 HA3 GLY 47 HA1 GLY 47 32.993 12.024 20.315 323 H LEU 48 HN LEU 48 30.709 10.817 18.159 324 HA LEU 48 HA LEU 48 29.164 9.127 18.429 325 HB2 LEU 48 HB2 LEU 48 31.851 7.786 18.467 326 HB3 LEU 48 HB1 LEU 48 30.371 6.838 18.580 327 HG LEU 48 HG LEU 48 31.257 7.154 16.226 328 HD11 LEU 48 HD11 LEU 48 28.610 7.237 17.172 329 HD12 LEU 48 HD12 LEU 48 29.133 6.852 15.536 330 HD13 LEU 48 HD13 LEU 48 28.706 8.509 15.956 331 HD21 LEU 48 HD21 LEU 48 31.116 9.282 15.167 332 HD22 LEU 48 HD22 LEU 48 31.939 9.569 16.699 333 HD23 LEU 48 HD23 LEU 48 30.231 9.979 16.523 334 H VAL 49 HN VAL 49 30.457 10.417 20.935 335 HA VAL 49 HA VAL 49 29.671 8.330 22.878 336 HB VAL 49 HB VAL 49 31.926 8.914 23.306 337 HG11 VAL 49 HG11 VAL 49 32.073 11.655 23.715 338 HG12 VAL 49 HG12 VAL 49 31.039 11.520 22.293 339 HG13 VAL 49 HG13 VAL 49 32.649 10.801 22.284 340 HG21 VAL 49 HG21 VAL 49 30.523 10.871 25.110 341 HG22 VAL 49 HG22 VAL 49 31.796 9.716 25.505 342 HG23 VAL 49 HG23 VAL 49 30.148 9.151 25.223 343 H LEU 50 HN LEU 50 29.149 11.564 21.725 344 HA LEU 50 HA LEU 50 27.188 12.069 23.867 345 HB2 LEU 50 HB2 LEU 50 27.324 14.411 23.218 346 HB3 LEU 50 HB1 LEU 50 28.948 13.783 23.502 347 HG LEU 50 HG LEU 50 28.481 13.232 20.810 348 HD11 LEU 50 HD11 LEU 50 27.782 15.412 19.879 349 HD12 LEU 50 HD12 LEU 50 27.493 16.015 21.511 350 HD13 LEU 50 HD13 LEU 50 26.502 14.706 20.866 351 HD21 LEU 50 HD21 LEU 50 30.101 15.165 20.493 352 HD22 LEU 50 HD22 LEU 50 30.613 13.949 21.663 353 HD23 LEU 50 HD23 LEU 50 29.941 15.482 22.221 354 H TRP 51 HN TRP 51 27.305 10.786 20.845 355 HA TRP 51 HA TRP 51 24.987 12.090 19.698 356 HB2 TRP 51 HB2 TRP 51 26.518 11.280 18.094 357 HB3 TRP 51 HB1 TRP 51 26.677 9.723 18.908 358 HD1 TRP 51 HD1 TRP 51 23.612 11.719 17.619 359 HE1 TRP 51 HE1 TRP 51 22.135 10.110 16.246 360 HE3 TRP 51 HE3 TRP 51 26.408 7.457 17.945 361 HZ2 TRP 51 HZ2 TRP 51 22.141 7.379 15.399 362 HZ3 TRP 51 HZ3 TRP 51 25.650 5.369 16.847 363 HH2 TRP 51 HH2 TRP 51 23.521 5.325 15.575 364 H THR 52 HN THR 52 25.340 8.597 19.890 365 HA THR 52 HA THR 52 22.732 7.890 20.138 366 HB THR 52 HB THR 52 24.045 6.020 20.004 367 HG1 THR 52 HG1 THR 52 22.679 5.975 21.976 368 HG21 THR 52 HG21 THR 52 25.883 7.504 21.876 369 HG22 THR 52 HG22 THR 52 26.198 6.958 20.229 370 HG23 THR 52 HG23 THR 52 26.113 5.787 21.544 371 H VAL 53 HN VAL 53 24.896 8.697 22.849 372 HA VAL 53 HA VAL 53 23.243 8.257 24.997 373 HB VAL 53 HB VAL 53 25.173 10.543 24.544 374 HG11 VAL 53 HG11 VAL 53 23.391 9.855 26.803 375 HG12 VAL 53 HG12 VAL 53 24.154 11.393 26.399 376 HG13 VAL 53 HG13 VAL 53 25.074 10.147 27.243 377 HG21 VAL 53 HG21 VAL 53 26.239 8.364 24.447 378 HG22 VAL 53 HG22 VAL 53 25.385 7.835 25.896 379 HG23 VAL 53 HG23 VAL 53 26.619 9.090 26.009 380 H PHE 54 HN PHE 54 23.452 11.288 23.121 381 HA PHE 54 HA PHE 54 21.462 12.720 24.431 382 HB2 PHE 54 HB2 PHE 54 22.981 12.987 22.040 383 HB3 PHE 54 HB1 PHE 54 21.289 13.277 21.634 384 HD1 PHE 54 HD2 PHE 54 23.939 14.207 24.103 385 HD2 PHE 54 HD1 PHE 54 20.260 15.321 22.187 386 HE1 PHE 54 HE2 PHE 54 24.068 16.449 25.158 387 HE2 PHE 54 HE1 PHE 54 20.389 17.563 23.242 388 HZ PHE 54 HZ PHE 54 22.293 18.125 24.727 389 H ARG 55 HN ARG 55 21.195 10.201 22.000 390 HA ARG 55 HA ARG 55 18.347 10.597 21.632 391 HB2 ARG 55 HB2 ARG 55 20.320 8.545 20.634 392 HB3 ARG 55 HB1 ARG 55 18.588 8.413 20.328 393 HG2 ARG 55 HG2 ARG 55 18.564 10.202 18.889 394 HG3 ARG 55 HG1 ARG 55 19.854 11.044 19.748 395 HD2 ARG 55 HD2 ARG 55 21.542 9.758 18.723 396 HD3 ARG 55 HD1 ARG 55 20.411 8.498 18.238 397 HE ARG 55 HE ARG 55 21.004 10.913 16.791 398 HH11 ARG 55 HH21 ARG 55 18.603 8.529 17.514 399 HH12 ARG 55 HH22 ARG 55 17.733 8.756 16.033 400 HH21 ARG 55 HH11 ARG 55 19.869 11.216 14.846 401 HH22 ARG 55 HH12 ARG 55 18.451 10.277 14.523 402 H LYS 56 HN LYS 56 20.479 8.527 23.494 403 HA LYS 56 HA LYS 56 18.450 6.668 24.300 404 HB2 LYS 56 HB2 LYS 56 21.155 7.288 25.512 405 HB3 LYS 56 HB1 LYS 56 20.137 5.912 25.941 406 HG2 LYS 56 HG2 LYS 56 20.758 6.317 23.050 407 HG3 LYS 56 HG1 LYS 56 22.051 5.710 24.085 408 HD2 LYS 56 HD2 LYS 56 20.623 3.871 24.843 409 HD3 LYS 56 HD1 LYS 56 19.279 4.496 23.885 410 HE2 LYS 56 HE2 LYS 56 20.402 2.666 22.687 411 HE3 LYS 56 HE1 LYS 56 20.620 4.189 21.824 412 HZ1 LYS 56 HZ1 LYS 56 22.806 4.377 22.557 413 HZ2 LYS 56 HZ2 LYS 56 22.655 2.730 22.172 414 HZ3 LYS 56 HZ3 LYS 56 22.604 3.234 23.794 415 H LYS 57 HN LYS 57 18.377 9.774 24.806 416 HA LYS 57 HA LYS 57 18.345 10.279 27.545 417 HB2 LYS 57 HB2 LYS 57 17.988 11.862 25.484 418 HB3 LYS 57 HB1 LYS 57 16.280 11.514 25.757 419 HG2 LYS 57 HG2 LYS 57 16.906 12.055 28.273 420 HG3 LYS 57 HG1 LYS 57 18.225 12.954 27.521 421 HD2 LYS 57 HD2 LYS 57 15.270 13.302 26.934 422 HD3 LYS 57 HD1 LYS 57 16.289 14.425 27.836 423 HE2 LYS 57 HE2 LYS 57 17.763 14.233 25.594 424 HE3 LYS 57 HE1 LYS 57 16.173 13.907 24.906 425 HZ1 LYS 57 HZ1 LYS 57 17.051 16.297 26.414 426 HZ2 LYS 57 HZ2 LYS 57 15.410 15.943 26.148 427 HZ3 LYS 57 HZ3 LYS 57 16.447 16.222 24.832 428 H GLY 58 HN GLY 58 15.730 9.100 25.443 429 HA2 GLY 58 HA2 GLY 58 13.950 7.708 25.989 430 HA3 GLY 58 HA1 GLY 58 14.508 7.699 27.660 431 H HIS 59 HN HIS 59 14.397 10.127 28.585 432 HA HIS 59 HA HIS 59 11.566 10.794 28.500 433 HB2 HIS 59 HB2 HIS 59 13.854 11.842 30.182 434 HB3 HIS 59 HB1 HIS 59 12.178 12.368 30.346 435 HD2 HIS 59 HD2 HIS 59 14.263 9.031 30.854 436 HE1 HIS 59 HE1 HIS 59 10.591 8.675 32.907 437 HE2 HIS 59 HE2 HIS 59 12.827 7.556 32.461 438 H HIS 60 HN HIS 60 12.223 11.403 26.087 439 HA HIS 60 HA HIS 60 13.568 13.650 25.329 440 HB2 HIS 60 HB2 HIS 60 10.817 12.847 24.352 441 HB3 HIS 60 HB1 HIS 60 11.955 13.886 23.497 442 HD2 HIS 60 HD2 HIS 60 14.079 11.191 24.993 443 HE1 HIS 60 HE1 HIS 60 12.878 9.625 21.260 444 HE2 HIS 60 HE2 HIS 60 14.486 9.333 23.204 445 H HIS 61 HN HIS 61 13.473 15.762 25.760 446 HA HIS 61 HA HIS 61 11.278 16.761 27.417 447 HB2 HIS 61 HB2 HIS 61 14.001 17.200 27.461 448 HB3 HIS 61 HB1 HIS 61 13.383 18.659 26.686 449 HD2 HIS 61 HD2 HIS 61 10.706 19.264 28.374 450 HE1 HIS 61 HE1 HIS 61 13.064 18.787 31.843 451 HE2 HIS 61 HE2 HIS 61 10.875 19.706 30.942 452 H HIS 62 HN HIS 62 9.540 17.420 26.309 453 HA HIS 62 HA HIS 62 9.802 18.588 23.658 454 HB2 HIS 62 HB2 HIS 62 7.418 17.951 25.404 455 HB3 HIS 62 HB1 HIS 62 7.285 18.716 23.820 456 HD2 HIS 62 HD2 HIS 62 8.832 15.312 25.215 457 HE1 HIS 62 HE1 HIS 62 7.572 14.744 21.227 458 HE2 HIS 62 HE2 HIS 62 8.569 13.599 23.262 459 H HIS 63 HN HIS 63 10.657 19.889 26.338 460 HA HIS 63 HA HIS 63 10.070 22.566 25.580 461 HB2 HIS 63 HB2 HIS 63 7.868 22.099 26.497 462 HB3 HIS 63 HB1 HIS 63 8.587 21.476 27.983 463 HD2 HIS 63 HD2 HIS 63 8.552 24.988 26.087 464 HE1 HIS 63 HE1 HIS 63 8.972 25.643 30.237 465 HE2 HIS 63 HE2 HIS 63 8.724 26.780 27.980 466 H HIS 64 HN HIS 64 12.473 21.877 25.840 467 HA HIS 64 HA HIS 64 13.708 21.524 28.302 468 HB2 HIS 64 HB2 HIS 64 15.703 22.027 27.229 469 HB3 HIS 64 HB1 HIS 64 14.676 21.605 25.860 470 HD2 HIS 64 HD2 HIS 64 17.137 24.212 26.309 471 HE1 HIS 64 HE1 HIS 64 13.915 26.362 24.630 472 HE2 HIS 64 HE2 HIS 64 16.401 26.430 25.145 Start of MODEL 24 1 H1 MET 1 HT1 MET 1 62.475 40.800 -34.060 2 H2 MET 1 HT2 MET 1 63.835 40.857 -33.042 3 H3 MET 1 HT3 MET 1 62.412 41.680 -32.610 4 HA MET 1 HA MET 1 63.056 38.837 -32.425 5 HB2 MET 1 HB2 MET 1 61.581 40.917 -30.811 6 HB3 MET 1 HB1 MET 1 61.447 39.199 -30.434 7 HG2 MET 1 HG2 MET 1 63.242 40.266 -29.110 8 HG3 MET 1 HG1 MET 1 63.894 39.048 -30.205 9 HE1 MET 1 HE1 MET 1 66.696 41.575 -30.082 10 HE2 MET 1 HE2 MET 1 65.852 40.300 -29.208 11 HE3 MET 1 HE3 MET 1 65.483 41.988 -28.864 12 H GLU 2 HN GLU 2 61.747 39.480 -34.823 13 HA GLU 2 HA GLU 2 58.954 39.365 -34.781 14 HB2 GLU 2 HB2 GLU 2 60.955 38.337 -36.799 15 HB3 GLU 2 HB1 GLU 2 59.213 38.332 -37.077 16 HG2 GLU 2 HG2 GLU 2 59.161 40.781 -36.675 17 HG3 GLU 2 HG1 GLU 2 60.912 40.769 -36.470 18 H GLU 3 HN GLU 3 57.634 37.858 -34.005 19 HA GLU 3 HA GLU 3 58.091 35.062 -34.491 20 HB2 GLU 3 HB2 GLU 3 58.904 36.242 -31.971 21 HB3 GLU 3 HB1 GLU 3 57.648 35.028 -31.729 22 HG2 GLU 3 HG2 GLU 3 58.955 33.412 -33.064 23 HG3 GLU 3 HG1 GLU 3 60.216 34.623 -33.289 24 H GLY 4 HN GLY 4 56.255 33.751 -33.923 25 HA2 GLY 4 HA2 GLY 4 53.770 35.001 -34.395 26 HA3 GLY 4 HA1 GLY 4 53.991 33.343 -33.846 27 H GLY 5 HN GLY 5 55.557 34.423 -31.485 28 HA2 GLY 5 HA2 GLY 5 54.619 36.058 -29.707 29 HA3 GLY 5 HA1 GLY 5 53.206 35.012 -29.812 30 H ASP 6 HN ASP 6 56.106 35.536 -28.225 31 HA ASP 6 HA ASP 6 56.975 32.914 -27.647 32 HB2 ASP 6 HB2 ASP 6 57.469 35.622 -26.606 33 HB3 ASP 6 HB1 ASP 6 57.679 34.334 -25.422 34 H PHE 7 HN PHE 7 54.038 34.163 -27.043 35 HA PHE 7 HA PHE 7 53.726 32.896 -24.402 36 HB2 PHE 7 HB2 PHE 7 52.777 35.023 -24.283 37 HB3 PHE 7 HB1 PHE 7 52.155 34.946 -25.932 38 HD1 PHE 7 HD2 PHE 7 51.769 33.430 -22.539 39 HD2 PHE 7 HD1 PHE 7 49.962 34.183 -26.363 40 HE1 PHE 7 HE2 PHE 7 49.603 32.574 -21.685 41 HE2 PHE 7 HE1 PHE 7 47.797 33.328 -25.508 42 HZ PHE 7 HZ PHE 7 47.617 32.522 -23.169 43 H ASP 8 HN ASP 8 52.995 32.520 -27.750 44 HA ASP 8 HA ASP 8 50.683 30.955 -27.682 45 HB2 ASP 8 HB2 ASP 8 52.641 31.682 -29.602 46 HB3 ASP 8 HB1 ASP 8 52.473 29.928 -29.668 47 H ASN 9 HN ASN 9 50.270 29.040 -26.800 48 HA ASN 9 HA ASN 9 52.432 27.054 -26.594 49 HB2 ASN 9 HB2 ASN 9 52.159 28.317 -24.415 50 HB3 ASN 9 HB1 ASN 9 50.539 27.632 -24.312 51 HD21 ASN 9 HD21 ASN 9 50.430 25.671 -23.215 52 HD22 ASN 9 HD22 ASN 9 51.727 24.593 -23.019 53 H TYR 10 HN TYR 10 48.981 27.790 -26.469 54 HA TYR 10 HA TYR 10 47.792 25.355 -26.234 55 HB2 TYR 10 HB2 TYR 10 47.128 27.607 -28.133 56 HB3 TYR 10 HB1 TYR 10 46.085 26.203 -27.912 57 HD1 TYR 10 HD1 TYR 10 45.107 25.710 -25.662 58 HD2 TYR 10 HD2 TYR 10 47.268 29.333 -26.472 59 HE1 TYR 10 HE1 TYR 10 44.153 26.737 -23.615 60 HE2 TYR 10 HE2 TYR 10 46.314 30.359 -24.426 61 HH TYR 10 HH TYR 10 43.685 29.119 -22.803 62 H TYR 11 HN TYR 11 48.085 26.600 -29.532 63 HA TYR 11 HA TYR 11 48.469 25.514 -31.523 64 HB2 TYR 11 HB2 TYR 11 50.768 25.569 -30.741 65 HB3 TYR 11 HB1 TYR 11 50.507 24.118 -29.773 66 HD1 TYR 11 HD2 TYR 11 50.368 25.391 -33.288 67 HD2 TYR 11 HD1 TYR 11 50.823 21.983 -30.712 68 HE1 TYR 11 HE2 TYR 11 50.917 23.979 -35.252 69 HE2 TYR 11 HE1 TYR 11 51.371 20.571 -32.676 70 HH TYR 11 HH TYR 11 51.460 20.481 -34.906 71 H GLY 12 HN GLY 12 49.420 22.666 -29.731 72 HA2 GLY 12 HA2 GLY 12 47.986 20.805 -31.126 73 HA3 GLY 12 HA1 GLY 12 48.398 20.612 -29.425 74 H ALA 13 HN ALA 13 46.895 22.351 -28.094 75 HA ALA 13 HA ALA 13 44.797 22.418 -27.122 76 HB1 ALA 13 HB1 ALA 13 44.557 24.245 -28.658 77 HB2 ALA 13 HB2 ALA 13 43.058 23.318 -28.718 78 HB3 ALA 13 HB3 ALA 13 44.251 23.147 -30.005 79 H ASP 14 HN ASP 14 43.376 21.487 -30.168 80 HA ASP 14 HA ASP 14 41.643 19.591 -29.198 81 HB2 ASP 14 HB2 ASP 14 41.080 19.836 -31.362 82 HB3 ASP 14 HB1 ASP 14 42.719 20.300 -31.817 83 H ASN 15 HN ASN 15 45.050 19.321 -29.606 84 HA ASN 15 HA ASN 15 45.219 16.474 -29.788 85 HB2 ASN 15 HB2 ASN 15 47.010 18.638 -29.903 86 HB3 ASN 15 HB1 ASN 15 47.528 17.664 -28.528 87 HD21 ASN 15 HD21 ASN 15 48.632 15.728 -28.988 88 HD22 ASN 15 HD22 ASN 15 48.797 15.077 -30.546 89 H GLN 16 HN GLN 16 44.018 18.322 -27.375 90 HA GLN 16 HA GLN 16 44.649 16.274 -25.356 91 HB2 GLN 16 HB2 GLN 16 44.612 19.229 -24.723 92 HB3 GLN 16 HB1 GLN 16 45.082 17.904 -23.658 93 HG2 GLN 16 HG2 GLN 16 46.914 17.362 -25.340 94 HG3 GLN 16 HG1 GLN 16 46.534 18.897 -26.119 95 HE21 GLN 16 HE21 GLN 16 48.168 17.429 -23.414 96 HE22 GLN 16 HE22 GLN 16 48.706 18.872 -22.700 97 H SER 17 HN SER 17 42.333 16.419 -26.913 98 HA SER 17 HA SER 17 40.342 17.011 -24.826 99 HB2 SER 17 HB2 SER 17 40.419 18.901 -26.479 100 HB3 SER 17 HB1 SER 17 39.963 17.753 -27.735 101 HG SER 17 HG SER 17 38.452 17.820 -25.386 102 H GLU 18 HN GLU 18 38.641 15.591 -24.746 103 HA GLU 18 HA GLU 18 37.693 13.493 -24.952 104 HB2 GLU 18 HB2 GLU 18 36.868 14.991 -26.957 105 HB3 GLU 18 HB1 GLU 18 37.812 13.853 -27.921 106 HG2 GLU 18 HG2 GLU 18 36.579 11.982 -26.745 107 HG3 GLU 18 HG1 GLU 18 35.524 13.209 -26.047 108 H CYS 19 HN CYS 19 40.417 13.258 -24.617 109 HA CYS 19 HA CYS 19 40.979 10.872 -26.247 110 HB2 CYS 19 HB2 CYS 19 42.224 12.884 -27.145 111 HB3 CYS 19 HB1 CYS 19 43.086 12.943 -25.607 112 HG CYS 19 HG CYS 19 44.450 11.444 -27.308 113 H GLU 20 HN GLU 20 41.843 12.821 -23.409 114 HA GLU 20 HA GLU 20 42.178 10.339 -21.878 115 HB2 GLU 20 HB2 GLU 20 44.180 12.035 -20.903 116 HB3 GLU 20 HB1 GLU 20 44.412 10.556 -21.836 117 HG2 GLU 20 HG2 GLU 20 44.357 11.801 -23.921 118 HG3 GLU 20 HG1 GLU 20 43.954 13.288 -23.065 119 H TYR 21 HN TYR 21 40.547 13.065 -22.185 120 HA TYR 21 HA TYR 21 40.640 13.892 -19.367 121 HB2 TYR 21 HB2 TYR 21 39.587 15.105 -21.892 122 HB3 TYR 21 HB1 TYR 21 38.881 15.591 -20.352 123 HD1 TYR 21 HD1 TYR 21 42.340 14.792 -21.583 124 HD2 TYR 21 HD2 TYR 21 39.798 17.560 -19.499 125 HE1 TYR 21 HE1 TYR 21 44.289 16.265 -21.160 126 HE2 TYR 21 HE2 TYR 21 41.748 19.031 -19.077 127 HH TYR 21 HH TYR 21 44.479 18.971 -20.688 128 H THR 22 HN THR 22 39.703 11.668 -18.906 129 HA THR 22 HA THR 22 36.955 11.939 -18.251 130 HB THR 22 HB THR 22 36.202 11.407 -20.356 131 HG1 THR 22 HG1 THR 22 35.319 9.592 -19.846 132 HG21 THR 22 HG21 THR 22 38.116 11.288 -21.664 133 HG22 THR 22 HG22 THR 22 37.574 9.610 -21.722 134 HG23 THR 22 HG23 THR 22 38.874 10.079 -20.628 135 H ASP 23 HN ASP 23 39.503 9.575 -19.004 136 HA ASP 23 HA ASP 23 38.619 7.700 -17.016 137 HB2 ASP 23 HB2 ASP 23 40.811 6.588 -17.501 138 HB3 ASP 23 HB1 ASP 23 39.821 6.867 -18.932 139 H TRP 24 HN TRP 24 39.677 10.654 -16.513 140 HA TRP 24 HA TRP 24 41.010 9.926 -13.999 141 HB2 TRP 24 HB2 TRP 24 42.881 11.259 -14.330 142 HB3 TRP 24 HB1 TRP 24 42.638 10.599 -15.948 143 HD1 TRP 24 HD1 TRP 24 40.997 12.219 -17.574 144 HE1 TRP 24 HE1 TRP 24 41.092 14.784 -17.824 145 HE3 TRP 24 HE3 TRP 24 43.464 13.433 -13.271 146 HZ2 TRP 24 HZ2 TRP 24 42.084 17.050 -16.388 147 HZ3 TRP 24 HZ3 TRP 24 43.970 15.800 -12.737 148 HH2 TRP 24 HH2 TRP 24 43.283 17.608 -14.290 149 H LYS 25 HN LYS 25 39.610 12.515 -15.988 150 HA LYS 25 HA LYS 25 38.403 14.390 -15.426 151 HB2 LYS 25 HB2 LYS 25 37.519 12.320 -13.444 152 HB3 LYS 25 HB1 LYS 25 36.911 13.970 -13.316 153 HG2 LYS 25 HG2 LYS 25 36.864 12.644 -16.000 154 HG3 LYS 25 HG1 LYS 25 35.650 12.172 -14.809 155 HD2 LYS 25 HD2 LYS 25 34.658 14.264 -14.783 156 HD3 LYS 25 HD1 LYS 25 36.149 15.091 -15.233 157 HE2 LYS 25 HE2 LYS 25 34.434 15.049 -17.068 158 HE3 LYS 25 HE1 LYS 25 35.967 14.304 -17.518 159 HZ1 LYS 25 HZ1 LYS 25 33.454 13.151 -17.592 160 HZ2 LYS 25 HZ2 LYS 25 34.269 12.396 -16.306 161 HZ3 LYS 25 HZ3 LYS 25 34.944 12.388 -17.865 162 H SER 26 HN SER 26 38.605 13.467 -12.063 163 HA SER 26 HA SER 26 40.159 15.911 -11.533 164 HB2 SER 26 HB2 SER 26 39.352 15.602 -9.192 165 HB3 SER 26 HB1 SER 26 38.046 15.794 -10.358 166 HG SER 26 HG SER 26 37.416 13.835 -9.930 167 H SER 27 HN SER 27 39.872 12.760 -9.883 168 HA SER 27 HA SER 27 41.466 11.450 -8.862 169 HB2 SER 27 HB2 SER 27 43.398 12.278 -11.000 170 HB3 SER 27 HB1 SER 27 43.162 10.695 -10.267 171 HG SER 27 HG SER 27 41.185 10.552 -11.358 172 H GLY 28 HN GLY 28 41.442 14.518 -8.498 173 HA2 GLY 28 HA2 GLY 28 43.157 14.820 -6.409 174 HA3 GLY 28 HA1 GLY 28 44.168 15.171 -7.807 175 H ALA 29 HN ALA 29 40.723 15.866 -7.558 176 HA ALA 29 HA ALA 29 41.331 18.753 -7.388 177 HB1 ALA 29 HB1 ALA 29 40.588 17.607 -9.723 178 HB2 ALA 29 HB2 ALA 29 40.169 19.260 -9.277 179 HB3 ALA 29 HB3 ALA 29 39.002 17.960 -9.035 180 H LEU 30 HN LEU 30 38.889 16.198 -7.046 181 HA LEU 30 HA LEU 30 37.361 17.948 -5.234 182 HB2 LEU 30 HB2 LEU 30 35.496 16.463 -5.570 183 HB3 LEU 30 HB1 LEU 30 36.163 16.872 -7.149 184 HG LEU 30 HG LEU 30 37.636 14.646 -6.453 185 HD11 LEU 30 HD11 LEU 30 36.200 13.005 -5.507 186 HD12 LEU 30 HD12 LEU 30 34.771 14.014 -5.727 187 HD13 LEU 30 HD13 LEU 30 35.965 14.433 -4.499 188 HD21 LEU 30 HD21 LEU 30 36.230 13.486 -8.121 189 HD22 LEU 30 HD22 LEU 30 36.593 15.130 -8.644 190 HD23 LEU 30 HD23 LEU 30 35.008 14.749 -7.972 191 H ILE 31 HN ILE 31 39.471 15.257 -5.268 192 HA ILE 31 HA ILE 31 38.554 13.869 -2.989 193 HB ILE 31 HB ILE 31 41.484 13.952 -3.405 194 HG12 ILE 31 HG12 ILE 31 39.500 13.254 -5.569 195 HG13 ILE 31 HG11 ILE 31 41.017 14.146 -5.708 196 HG21 ILE 31 HG21 ILE 31 40.011 12.338 -1.993 197 HG22 ILE 31 HG22 ILE 31 41.294 11.650 -2.987 198 HG23 ILE 31 HG23 ILE 31 39.622 11.591 -3.543 199 HD11 ILE 31 HD11 ILE 31 40.590 11.184 -5.418 200 HD12 ILE 31 HD12 ILE 31 42.117 11.917 -4.924 201 HD13 ILE 31 HD13 ILE 31 41.574 12.053 -6.596 202 HA PRO 32 HA PRO 32 41.541 16.743 -0.519 203 HB2 PRO 32 HB2 PRO 32 41.618 19.264 -1.984 204 HB3 PRO 32 HB1 PRO 32 42.964 18.242 -1.455 205 HG2 PRO 32 HG2 PRO 32 42.238 18.583 -4.056 206 HG3 PRO 32 HG1 PRO 32 43.082 17.155 -3.437 207 HD2 PRO 32 HD2 PRO 32 40.192 17.478 -4.142 208 HD3 PRO 32 HD1 PRO 32 41.248 16.058 -4.311 209 H ALA 33 HN ALA 33 38.587 16.625 -1.056 210 HA ALA 33 HA ALA 33 37.844 18.924 0.618 211 HB1 ALA 33 HB1 ALA 33 36.049 19.591 -0.759 212 HB2 ALA 33 HB2 ALA 33 36.138 18.122 -1.731 213 HB3 ALA 33 HB3 ALA 33 37.393 19.355 -1.877 214 H ILE 34 HN ILE 34 36.784 15.889 -0.887 215 HA ILE 34 HA ILE 34 34.707 15.475 1.077 216 HB ILE 34 HB ILE 34 34.528 13.224 -0.057 217 HG12 ILE 34 HG12 ILE 34 36.549 14.444 -1.954 218 HG13 ILE 34 HG11 ILE 34 36.947 13.196 -0.774 219 HG21 ILE 34 HG21 ILE 34 32.996 14.463 -1.161 220 HG22 ILE 34 HG22 ILE 34 34.217 14.695 -2.413 221 HG23 ILE 34 HG23 ILE 34 34.033 15.889 -1.130 222 HD11 ILE 34 HD11 ILE 34 34.908 12.952 -3.005 223 HD12 ILE 34 HD12 ILE 34 35.255 11.706 -1.806 224 HD13 ILE 34 HD13 ILE 34 36.495 12.184 -2.965 225 H TYR 35 HN TYR 35 38.064 14.791 0.822 226 HA TYR 35 HA TYR 35 37.973 12.627 2.783 227 HB2 TYR 35 HB2 TYR 35 39.907 12.021 1.835 228 HB3 TYR 35 HB1 TYR 35 39.771 13.394 0.734 229 HD1 TYR 35 HD2 TYR 35 40.689 15.644 1.447 230 HD2 TYR 35 HD1 TYR 35 41.488 12.022 3.614 231 HE1 TYR 35 HE2 TYR 35 42.607 16.741 2.575 232 HE2 TYR 35 HE1 TYR 35 43.404 13.119 4.743 233 HH TYR 35 HH TYR 35 43.888 15.946 5.207 234 H MET 36 HN MET 36 38.709 16.039 2.567 235 HA MET 36 HA MET 36 39.845 16.132 5.245 236 HB2 MET 36 HB2 MET 36 40.361 18.379 4.801 237 HB3 MET 36 HB1 MET 36 40.530 17.603 3.227 238 HG2 MET 36 HG2 MET 36 39.211 19.419 2.651 239 HG3 MET 36 HG1 MET 36 37.964 18.225 3.009 240 HE1 MET 36 HE1 MET 36 38.923 22.114 5.068 241 HE2 MET 36 HE2 MET 36 38.722 21.744 3.357 242 HE3 MET 36 HE3 MET 36 40.117 21.112 4.230 243 H LEU 37 HN LEU 37 36.784 16.549 3.688 244 HA LEU 37 HA LEU 37 35.529 18.168 5.668 245 HB2 LEU 37 HB2 LEU 37 34.666 16.547 3.338 246 HB3 LEU 37 HB1 LEU 37 33.449 16.833 4.579 247 HG LEU 37 HG LEU 37 35.134 19.042 3.367 248 HD11 LEU 37 HD11 LEU 37 33.129 19.580 2.013 249 HD12 LEU 37 HD12 LEU 37 32.339 18.125 2.622 250 HD13 LEU 37 HD13 LEU 37 33.777 17.991 1.609 251 HD21 LEU 37 HD21 LEU 37 34.135 20.325 4.929 252 HD22 LEU 37 HD22 LEU 37 33.321 18.906 5.583 253 HD23 LEU 37 HD23 LEU 37 32.553 19.854 4.311 254 H VAL 38 HN VAL 38 36.273 14.794 5.419 255 HA VAL 38 HA VAL 38 34.370 13.927 7.409 256 HB VAL 38 HB VAL 38 36.718 12.599 6.050 257 HG11 VAL 38 HG11 VAL 38 35.668 10.507 7.177 258 HG12 VAL 38 HG12 VAL 38 34.958 11.656 8.311 259 HG13 VAL 38 HG13 VAL 38 36.711 11.538 8.158 260 HG21 VAL 38 HG21 VAL 38 33.710 12.188 5.960 261 HG22 VAL 38 HG22 VAL 38 34.890 11.209 5.090 262 HG23 VAL 38 HG23 VAL 38 34.697 12.916 4.692 263 H PHE 39 HN PHE 39 37.278 15.595 7.526 264 HA PHE 39 HA PHE 39 38.489 14.449 9.829 265 HB2 PHE 39 HB2 PHE 39 39.743 15.910 8.325 266 HB3 PHE 39 HB1 PHE 39 38.675 17.258 8.714 267 HD1 PHE 39 HD2 PHE 39 40.965 14.768 10.318 268 HD2 PHE 39 HD1 PHE 39 39.163 18.661 10.532 269 HE1 PHE 39 HE2 PHE 39 42.358 15.304 12.299 270 HE2 PHE 39 HE1 PHE 39 40.556 19.197 12.513 271 HZ PHE 39 HZ PHE 39 42.154 17.519 13.395 272 H LEU 40 HN LEU 40 36.173 17.095 9.367 273 HA LEU 40 HA LEU 40 36.018 17.588 12.231 274 HB2 LEU 40 HB2 LEU 40 34.320 19.290 11.564 275 HB3 LEU 40 HB1 LEU 40 35.872 19.506 10.753 276 HG LEU 40 HG LEU 40 34.222 17.700 9.225 277 HD11 LEU 40 HD11 LEU 40 32.353 18.899 10.343 278 HD12 LEU 40 HD12 LEU 40 32.422 19.251 8.616 279 HD13 LEU 40 HD13 LEU 40 33.022 20.431 9.780 280 HD21 LEU 40 HD21 LEU 40 36.119 18.996 8.349 281 HD22 LEU 40 HD22 LEU 40 35.274 20.501 8.710 282 HD23 LEU 40 HD23 LEU 40 34.646 19.412 7.474 283 H LEU 41 HN LEU 41 34.823 15.256 10.274 284 HA LEU 41 HA LEU 41 32.484 14.841 12.021 285 HB2 LEU 41 HB2 LEU 41 32.559 14.772 9.008 286 HB3 LEU 41 HB1 LEU 41 31.342 13.881 9.922 287 HG LEU 41 HG LEU 41 31.718 16.681 10.782 288 HD11 LEU 41 HD11 LEU 41 30.515 16.015 8.076 289 HD12 LEU 41 HD12 LEU 41 31.983 16.953 8.351 290 HD13 LEU 41 HD13 LEU 41 30.422 17.585 8.874 291 HD21 LEU 41 HD21 LEU 41 29.304 16.580 10.952 292 HD22 LEU 41 HD22 LEU 41 29.950 15.064 11.581 293 HD23 LEU 41 HD23 LEU 41 29.249 15.119 9.963 294 H GLY 42 HN GLY 42 35.194 13.731 12.024 295 HA2 GLY 42 HA2 GLY 42 34.457 10.887 11.765 296 HA3 GLY 42 HA1 GLY 42 35.973 11.459 11.077 297 H THR 43 HN THR 43 35.364 13.300 13.751 298 HA THR 43 HA THR 43 36.200 11.527 15.840 299 HB THR 43 HB THR 43 38.233 13.248 14.452 300 HG1 THR 43 HG1 THR 43 38.691 10.825 15.765 301 HG21 THR 43 HG21 THR 43 38.032 12.601 17.383 302 HG22 THR 43 HG22 THR 43 38.464 14.129 16.616 303 HG23 THR 43 HG23 THR 43 39.607 12.787 16.614 304 H THR 44 HN THR 44 36.338 14.915 14.747 305 HA THR 44 HA THR 44 36.120 16.142 17.251 306 HB THR 44 HB THR 44 35.190 17.028 14.514 307 HG1 THR 44 HG1 THR 44 37.510 16.730 15.318 308 HG21 THR 44 HG21 THR 44 33.862 18.360 15.903 309 HG22 THR 44 HG22 THR 44 35.319 19.340 15.731 310 HG23 THR 44 HG23 THR 44 35.065 18.386 17.193 311 H GLY 45 HN GLY 45 33.965 14.069 15.820 312 HA2 GLY 45 HA2 GLY 45 31.426 14.952 16.028 313 HA3 GLY 45 HA1 GLY 45 31.898 13.354 16.598 314 H ASN 46 HN ASN 46 32.729 13.237 18.863 315 HA ASN 46 HA ASN 46 32.289 15.338 20.713 316 HB2 ASN 46 HB2 ASN 46 29.959 15.036 20.301 317 HB3 ASN 46 HB1 ASN 46 30.113 13.282 20.379 318 HD21 ASN 46 HD21 ASN 46 31.427 15.806 22.588 319 HD22 ASN 46 HD22 ASN 46 30.660 15.199 23.975 320 H GLY 47 HN GLY 47 33.451 14.884 22.474 321 HA2 GLY 47 HA2 GLY 47 34.001 13.415 24.319 322 HA3 GLY 47 HA1 GLY 47 33.911 12.057 23.203 323 H LEU 48 HN LEU 48 35.383 13.218 21.066 324 HA LEU 48 HA LEU 48 38.067 12.790 22.079 325 HB2 LEU 48 HB2 LEU 48 36.873 13.168 19.340 326 HB3 LEU 48 HB1 LEU 48 38.618 13.182 19.578 327 HG LEU 48 HG LEU 48 37.689 10.918 18.976 328 HD11 LEU 48 HD11 LEU 48 39.640 11.560 20.854 329 HD12 LEU 48 HD12 LEU 48 39.375 9.970 20.145 330 HD13 LEU 48 HD13 LEU 48 38.635 10.378 21.691 331 HD21 LEU 48 HD21 LEU 48 36.274 9.740 20.470 332 HD22 LEU 48 HD22 LEU 48 35.572 11.354 20.374 333 HD23 LEU 48 HD23 LEU 48 36.547 10.897 21.771 334 H VAL 49 HN VAL 49 36.043 15.431 21.747 335 HA VAL 49 HA VAL 49 38.156 17.349 21.115 336 HB VAL 49 HB VAL 49 36.350 19.023 21.251 337 HG11 VAL 49 HG11 VAL 49 34.833 17.853 19.466 338 HG12 VAL 49 HG12 VAL 49 36.001 16.537 19.592 339 HG13 VAL 49 HG13 VAL 49 36.532 18.142 19.087 340 HG21 VAL 49 HG21 VAL 49 34.669 18.505 22.683 341 HG22 VAL 49 HG22 VAL 49 35.016 16.779 22.595 342 HG23 VAL 49 HG23 VAL 49 34.015 17.540 21.359 343 H LEU 50 HN LEU 50 37.543 15.641 23.740 344 HA LEU 50 HA LEU 50 38.182 17.867 25.583 345 HB2 LEU 50 HB2 LEU 50 36.419 15.464 26.118 346 HB3 LEU 50 HB1 LEU 50 36.944 16.619 27.343 347 HG LEU 50 HG LEU 50 35.854 18.026 25.067 348 HD11 LEU 50 HD11 LEU 50 34.013 16.018 26.404 349 HD12 LEU 50 HD12 LEU 50 34.576 15.922 24.737 350 HD13 LEU 50 HD13 LEU 50 33.531 17.251 25.239 351 HD21 LEU 50 HD21 LEU 50 34.815 17.737 27.902 352 HD22 LEU 50 HD22 LEU 50 34.506 19.072 26.793 353 HD23 LEU 50 HD23 LEU 50 36.126 18.822 27.441 354 H TRP 51 HN TRP 51 39.326 15.175 24.107 355 HA TRP 51 HA TRP 51 40.834 14.179 26.423 356 HB2 TRP 51 HB2 TRP 51 39.985 12.372 25.188 357 HB3 TRP 51 HB1 TRP 51 40.340 13.142 23.641 358 HD1 TRP 51 HD1 TRP 51 42.395 12.021 26.734 359 HE1 TRP 51 HE1 TRP 51 44.582 10.948 25.888 360 HE3 TRP 51 HE3 TRP 51 41.764 12.586 21.698 361 HZ2 TRP 51 HZ2 TRP 51 45.890 10.402 23.404 362 HZ3 TRP 51 HZ3 TRP 51 43.494 11.780 20.116 363 HH2 TRP 51 HH2 TRP 51 45.555 10.691 20.963 364 H THR 52 HN THR 52 41.739 14.651 23.011 365 HA THR 52 HA THR 52 44.447 15.044 23.403 366 HB THR 52 HB THR 52 43.965 14.841 21.168 367 HG1 THR 52 HG1 THR 52 43.934 17.131 20.298 368 HG21 THR 52 HG21 THR 52 41.641 14.886 21.073 369 HG22 THR 52 HG22 THR 52 42.049 16.351 20.181 370 HG23 THR 52 HG23 THR 52 41.538 16.459 21.865 371 H VAL 53 HN VAL 53 41.878 17.505 23.305 372 HA VAL 53 HA VAL 53 43.469 19.778 23.616 373 HB VAL 53 HB VAL 53 40.678 19.259 24.670 374 HG11 VAL 53 HG11 VAL 53 40.701 21.880 24.244 375 HG12 VAL 53 HG12 VAL 53 42.430 21.685 24.536 376 HG13 VAL 53 HG13 VAL 53 41.268 21.211 25.775 377 HG21 VAL 53 HG21 VAL 53 41.786 20.307 22.057 378 HG22 VAL 53 HG22 VAL 53 40.123 20.609 22.560 379 HG23 VAL 53 HG23 VAL 53 40.680 18.956 22.302 380 H PHE 54 HN PHE 54 43.174 17.195 25.706 381 HA PHE 54 HA PHE 54 43.664 18.808 28.118 382 HB2 PHE 54 HB2 PHE 54 41.978 16.821 27.968 383 HB3 PHE 54 HB1 PHE 54 43.421 15.816 28.101 384 HD1 PHE 54 HD2 PHE 54 41.636 18.665 29.737 385 HD2 PHE 54 HD1 PHE 54 44.432 15.437 30.196 386 HE1 PHE 54 HE2 PHE 54 41.688 19.058 32.185 387 HE2 PHE 54 HE1 PHE 54 44.484 15.830 32.644 388 HZ PHE 54 HZ PHE 54 43.113 17.640 33.638 389 H ARG 55 HN ARG 55 45.474 17.775 25.692 390 HA ARG 55 HA ARG 55 47.893 17.739 27.226 391 HB2 ARG 55 HB2 ARG 55 48.626 15.470 26.557 392 HB3 ARG 55 HB1 ARG 55 47.223 15.425 27.626 393 HG2 ARG 55 HG2 ARG 55 46.201 15.630 24.997 394 HG3 ARG 55 HG1 ARG 55 47.473 14.409 24.938 395 HD2 ARG 55 HD2 ARG 55 45.174 14.459 26.912 396 HD3 ARG 55 HD1 ARG 55 45.297 13.398 25.512 397 HE ARG 55 HE ARG 55 46.684 13.098 28.029 398 HH11 ARG 55 HH21 ARG 55 46.684 12.448 24.630 399 HH12 ARG 55 HH22 ARG 55 47.691 11.044 24.759 400 HH21 ARG 55 HH11 ARG 55 48.005 11.258 28.205 401 HH22 ARG 55 HH12 ARG 55 48.438 10.371 26.782 402 H LYS 56 HN LYS 56 48.155 19.514 25.726 403 HA LYS 56 HA LYS 56 49.606 18.732 23.374 404 HB2 LYS 56 HB2 LYS 56 48.186 19.922 21.751 405 HB3 LYS 56 HB1 LYS 56 47.327 18.566 22.482 406 HG2 LYS 56 HG2 LYS 56 45.696 20.071 22.941 407 HG3 LYS 56 HG1 LYS 56 46.766 20.629 24.226 408 HD2 LYS 56 HD2 LYS 56 46.237 22.589 22.994 409 HD3 LYS 56 HD1 LYS 56 47.849 22.135 22.442 410 HE2 LYS 56 HE2 LYS 56 46.216 20.697 20.743 411 HE3 LYS 56 HE1 LYS 56 45.316 22.198 20.957 412 HZ1 LYS 56 HZ1 LYS 56 46.722 23.171 19.577 413 HZ2 LYS 56 HZ2 LYS 56 47.632 21.744 19.431 414 HZ3 LYS 56 HZ3 LYS 56 47.998 22.869 20.652 415 H LYS 57 HN LYS 57 48.092 21.260 25.298 416 HA LYS 57 HA LYS 57 49.408 23.496 24.240 417 HB2 LYS 57 HB2 LYS 57 48.974 24.539 26.455 418 HB3 LYS 57 HB1 LYS 57 47.552 23.729 25.795 419 HG2 LYS 57 HG2 LYS 57 47.430 22.519 27.688 420 HG3 LYS 57 HG1 LYS 57 48.959 21.759 27.248 421 HD2 LYS 57 HD2 LYS 57 49.224 22.726 29.448 422 HD3 LYS 57 HD1 LYS 57 50.148 23.710 28.312 423 HE2 LYS 57 HE2 LYS 57 48.990 25.505 29.022 424 HE3 LYS 57 HE1 LYS 57 47.546 24.791 28.304 425 HZ1 LYS 57 HZ1 LYS 57 47.036 23.698 30.332 426 HZ2 LYS 57 HZ2 LYS 57 47.355 25.323 30.712 427 HZ3 LYS 57 HZ3 LYS 57 48.523 24.129 31.026 428 H GLY 58 HN GLY 58 50.728 20.815 25.751 429 HA2 GLY 58 HA2 GLY 58 52.772 20.347 26.715 430 HA3 GLY 58 HA1 GLY 58 53.370 21.571 25.598 431 H HIS 59 HN HIS 59 51.320 21.697 28.519 432 HA HIS 59 HA HIS 59 51.375 23.135 30.320 433 HB2 HIS 59 HB2 HIS 59 54.283 23.215 30.533 434 HB3 HIS 59 HB1 HIS 59 53.093 22.533 31.642 435 HD2 HIS 59 HD2 HIS 59 52.054 19.893 30.496 436 HE1 HIS 59 HE1 HIS 59 55.851 19.063 28.846 437 HE2 HIS 59 HE2 HIS 59 53.603 18.059 29.467 438 H HIS 60 HN HIS 60 52.019 24.192 27.455 439 HA HIS 60 HA HIS 60 53.341 26.709 28.223 440 HB2 HIS 60 HB2 HIS 60 53.543 25.081 25.946 441 HB3 HIS 60 HB1 HIS 60 52.648 26.508 25.421 442 HD2 HIS 60 HD2 HIS 60 54.093 28.991 26.595 443 HE1 HIS 60 HE1 HIS 60 57.814 27.148 25.838 444 HE2 HIS 60 HE2 HIS 60 56.668 29.352 26.364 445 H HIS 61 HN HIS 61 51.852 28.044 29.098 446 HA HIS 61 HA HIS 61 49.232 28.308 27.782 447 HB2 HIS 61 HB2 HIS 61 49.781 28.059 30.413 448 HB3 HIS 61 HB1 HIS 61 49.818 29.817 30.264 449 HD2 HIS 61 HD2 HIS 61 47.258 27.180 28.689 450 HE1 HIS 61 HE1 HIS 61 45.103 30.302 30.540 451 HE2 HIS 61 HE2 HIS 61 44.891 28.151 29.208 452 H HIS 62 HN HIS 62 52.002 29.480 27.029 453 HA HIS 62 HA HIS 62 50.956 32.074 26.241 454 HB2 HIS 62 HB2 HIS 62 52.069 32.275 28.573 455 HB3 HIS 62 HB1 HIS 62 53.587 32.060 27.700 456 HD2 HIS 62 HD2 HIS 62 52.902 35.051 28.978 457 HE1 HIS 62 HE1 HIS 62 52.178 36.156 24.968 458 HE2 HIS 62 HE2 HIS 62 52.648 37.038 27.303 459 H HIS 63 HN HIS 63 53.968 32.788 25.983 460 HA HIS 63 HA HIS 63 54.998 30.945 24.040 461 HB2 HIS 63 HB2 HIS 63 53.155 32.155 22.785 462 HB3 HIS 63 HB1 HIS 63 54.110 33.626 22.968 463 HD2 HIS 63 HD2 HIS 63 56.053 33.919 21.017 464 HE1 HIS 63 HE1 HIS 63 56.101 29.932 19.631 465 HE2 HIS 63 HE2 HIS 63 57.035 32.263 19.253 466 H HIS 64 HN HIS 64 56.383 31.573 26.103 467 HA HIS 64 HA HIS 64 57.756 33.953 26.355 468 HB2 HIS 64 HB2 HIS 64 58.078 31.252 27.271 469 HB3 HIS 64 HB1 HIS 64 59.649 31.893 26.792 470 HD2 HIS 64 HD2 HIS 64 57.032 32.363 29.623 471 HE1 HIS 64 HE1 HIS 64 60.047 35.259 30.216 472 HE2 HIS 64 HE2 HIS 64 57.994 34.172 31.242 Start of MODEL 25 1 H1 MET 1 HT1 MET 1 66.239 49.181 -24.370 2 H2 MET 1 HT2 MET 1 66.893 49.067 -22.806 3 H3 MET 1 HT3 MET 1 65.315 49.654 -23.030 4 HA MET 1 HA MET 1 65.239 47.395 -22.218 5 HB2 MET 1 HB2 MET 1 64.472 47.736 -25.133 6 HB3 MET 1 HB1 MET 1 63.905 46.424 -24.100 7 HG2 MET 1 HG2 MET 1 63.557 49.046 -22.855 8 HG3 MET 1 HG1 MET 1 62.687 48.907 -24.383 9 HE1 MET 1 HE1 MET 1 59.854 48.293 -21.884 10 HE2 MET 1 HE2 MET 1 60.590 49.339 -23.096 11 HE3 MET 1 HE3 MET 1 61.269 49.272 -21.472 12 H GLU 2 HN GLU 2 67.966 47.588 -22.685 13 HA GLU 2 HA GLU 2 68.637 45.423 -24.553 14 HB2 GLU 2 HB2 GLU 2 70.237 47.526 -23.114 15 HB3 GLU 2 HB1 GLU 2 71.026 46.108 -23.809 16 HG2 GLU 2 HG2 GLU 2 70.031 46.631 -26.006 17 HG3 GLU 2 HG1 GLU 2 69.249 48.051 -25.314 18 H GLU 3 HN GLU 3 67.356 44.065 -22.879 19 HA GLU 3 HA GLU 3 68.352 43.453 -20.348 20 HB2 GLU 3 HB2 GLU 3 66.972 41.646 -22.346 21 HB3 GLU 3 HB1 GLU 3 67.210 41.264 -20.641 22 HG2 GLU 3 HG2 GLU 3 65.587 42.707 -19.955 23 HG3 GLU 3 HG1 GLU 3 66.004 43.911 -21.173 24 H GLY 4 HN GLY 4 69.744 41.838 -19.577 25 HA2 GLY 4 HA2 GLY 4 71.312 40.065 -19.823 26 HA3 GLY 4 HA1 GLY 4 71.433 40.444 -21.538 27 H GLY 5 HN GLY 5 71.785 42.404 -18.577 28 HA2 GLY 5 HA2 GLY 5 74.600 42.895 -19.223 29 HA3 GLY 5 HA1 GLY 5 73.528 44.292 -19.188 30 H ASP 6 HN ASP 6 74.855 41.655 -17.255 31 HA ASP 6 HA ASP 6 74.999 41.354 -14.968 32 HB2 ASP 6 HB2 ASP 6 76.436 43.530 -15.734 33 HB3 ASP 6 HB1 ASP 6 75.386 44.245 -14.513 34 H PHE 7 HN PHE 7 74.412 42.847 -12.792 35 HA PHE 7 HA PHE 7 72.712 43.446 -11.380 36 HB2 PHE 7 HB2 PHE 7 72.006 45.411 -12.206 37 HB3 PHE 7 HB1 PHE 7 72.149 44.859 -13.872 38 HD1 PHE 7 HD2 PHE 7 69.936 45.037 -10.922 39 HD2 PHE 7 HD1 PHE 7 70.260 43.888 -15.049 40 HE1 PHE 7 HE2 PHE 7 67.470 44.806 -11.052 41 HE2 PHE 7 HE1 PHE 7 67.795 43.656 -15.177 42 HZ PHE 7 HZ PHE 7 66.400 44.115 -13.178 43 H ASP 8 HN ASP 8 72.319 41.187 -13.824 44 HA ASP 8 HA ASP 8 69.664 40.428 -13.780 45 HB2 ASP 8 HB2 ASP 8 72.177 39.224 -14.498 46 HB3 ASP 8 HB1 ASP 8 71.159 38.037 -13.685 47 H ASN 9 HN ASN 9 68.350 39.313 -12.415 48 HA ASN 9 HA ASN 9 69.475 38.185 -9.950 49 HB2 ASN 9 HB2 ASN 9 68.504 40.699 -9.843 50 HB3 ASN 9 HB1 ASN 9 67.010 39.796 -9.600 51 HD21 ASN 9 HD21 ASN 9 66.610 39.263 -7.454 52 HD22 ASN 9 HD22 ASN 9 67.798 39.092 -6.254 53 H TYR 10 HN TYR 10 67.800 37.609 -12.593 54 HA TYR 10 HA TYR 10 66.375 35.908 -13.203 55 HB2 TYR 10 HB2 TYR 10 65.980 35.078 -10.356 56 HB3 TYR 10 HB1 TYR 10 66.110 34.082 -11.805 57 HD1 TYR 10 HD1 TYR 10 68.525 34.974 -13.109 58 HD2 TYR 10 HD2 TYR 10 67.736 34.515 -8.910 59 HE1 TYR 10 HE1 TYR 10 70.950 34.669 -12.686 60 HE2 TYR 10 HE2 TYR 10 70.161 34.209 -8.489 61 HH TYR 10 HH TYR 10 72.494 34.104 -11.170 62 H TYR 11 HN TYR 11 65.490 37.676 -10.265 63 HA TYR 11 HA TYR 11 63.532 38.689 -9.628 64 HB2 TYR 11 HB2 TYR 11 63.710 39.022 -12.435 65 HB3 TYR 11 HB1 TYR 11 62.036 38.603 -12.074 66 HD1 TYR 11 HD1 TYR 11 60.923 39.854 -10.074 67 HD2 TYR 11 HD2 TYR 11 64.460 41.220 -12.093 68 HE1 TYR 11 HE1 TYR 11 60.530 42.146 -9.211 69 HE2 TYR 11 HE2 TYR 11 64.067 43.511 -11.231 70 HH TYR 11 HH TYR 11 62.848 44.768 -9.845 71 H GLY 12 HN GLY 12 62.344 36.541 -12.215 72 HA2 GLY 12 HA2 GLY 12 60.135 35.623 -10.670 73 HA3 GLY 12 HA1 GLY 12 60.688 34.936 -12.195 74 H ALA 13 HN ALA 13 62.934 33.779 -11.911 75 HA ALA 13 HA ALA 13 63.809 31.762 -11.182 76 HB1 ALA 13 HB1 ALA 13 65.198 32.919 -9.772 77 HB2 ALA 13 HB2 ALA 13 64.279 32.022 -8.564 78 HB3 ALA 13 HB3 ALA 13 63.864 33.698 -8.922 79 H ASP 14 HN ASP 14 62.351 32.298 -8.057 80 HA ASP 14 HA ASP 14 61.333 29.746 -7.739 81 HB2 ASP 14 HB2 ASP 14 61.142 32.265 -6.363 82 HB3 ASP 14 HB1 ASP 14 59.568 31.471 -6.366 83 H ASN 15 HN ASN 15 60.120 32.316 -9.671 84 HA ASN 15 HA ASN 15 57.380 31.742 -9.756 85 HB2 ASN 15 HB2 ASN 15 58.449 33.740 -10.783 86 HB3 ASN 15 HB1 ASN 15 59.118 32.700 -12.040 87 HD21 ASN 15 HD21 ASN 15 55.956 33.640 -10.590 88 HD22 ASN 15 HD22 ASN 15 55.075 33.443 -12.028 89 H GLN 16 HN GLN 16 60.097 30.316 -11.515 90 HA GLN 16 HA GLN 16 58.264 28.442 -12.849 91 HB2 GLN 16 HB2 GLN 16 61.232 28.539 -13.300 92 HB3 GLN 16 HB1 GLN 16 59.955 28.044 -14.411 93 HG2 GLN 16 HG2 GLN 16 59.192 30.593 -13.987 94 HG3 GLN 16 HG1 GLN 16 60.927 30.773 -13.737 95 HE21 GLN 16 HE21 GLN 16 58.453 29.946 -16.135 96 HE22 GLN 16 HE22 GLN 16 59.491 30.004 -17.478 97 H SER 17 HN SER 17 58.537 28.108 -10.084 98 HA SER 17 HA SER 17 59.802 25.457 -10.015 99 HB2 SER 17 HB2 SER 17 61.272 27.379 -9.017 100 HB3 SER 17 HB1 SER 17 60.143 27.296 -7.668 101 HG SER 17 HG SER 17 62.148 25.611 -8.364 102 H GLU 18 HN GLU 18 58.442 24.008 -9.221 103 HA GLU 18 HA GLU 18 56.374 23.222 -8.494 104 HB2 GLU 18 HB2 GLU 18 56.265 23.362 -6.007 105 HB3 GLU 18 HB1 GLU 18 57.839 22.850 -6.614 106 HG2 GLU 18 HG2 GLU 18 58.778 25.033 -6.259 107 HG3 GLU 18 HG1 GLU 18 57.193 25.728 -5.927 108 H CYS 19 HN CYS 19 55.782 25.484 -9.859 109 HA CYS 19 HA CYS 19 54.340 27.393 -8.267 110 HB2 CYS 19 HB2 CYS 19 55.384 27.731 -10.606 111 HB3 CYS 19 HB1 CYS 19 53.927 26.947 -11.216 112 HG CYS 19 HG CYS 19 53.297 29.236 -9.293 113 H GLU 20 HN GLU 20 53.423 25.005 -7.419 114 HA GLU 20 HA GLU 20 51.540 23.716 -7.119 115 HB2 GLU 20 HB2 GLU 20 50.229 26.244 -8.148 116 HB3 GLU 20 HB1 GLU 20 49.401 24.936 -7.304 117 HG2 GLU 20 HG2 GLU 20 51.813 26.175 -6.028 118 HG3 GLU 20 HG1 GLU 20 50.279 27.043 -5.966 119 H TYR 21 HN TYR 21 52.482 22.494 -9.040 120 HA TYR 21 HA TYR 21 50.375 22.264 -11.076 121 HB2 TYR 21 HB2 TYR 21 51.775 22.489 -12.891 122 HB3 TYR 21 HB1 TYR 21 52.544 23.622 -11.780 123 HD1 TYR 21 HD2 TYR 21 54.572 22.952 -10.504 124 HD2 TYR 21 HD1 TYR 21 52.833 20.413 -13.500 125 HE1 TYR 21 HE2 TYR 21 56.657 21.611 -10.577 126 HE2 TYR 21 HE1 TYR 21 54.919 19.072 -13.575 127 HH TYR 21 HH TYR 21 56.987 18.851 -12.815 128 H THR 22 HN THR 22 51.916 20.815 -8.677 129 HA THR 22 HA THR 22 51.416 18.159 -9.731 130 HB THR 22 HB THR 22 53.730 18.557 -10.472 131 HG1 THR 22 HG1 THR 22 54.485 16.682 -9.652 132 HG21 THR 22 HG21 THR 22 53.985 20.086 -8.246 133 HG22 THR 22 HG22 THR 22 55.359 19.432 -9.137 134 HG23 THR 22 HG23 THR 22 54.765 18.603 -7.699 135 H ASP 23 HN ASP 23 52.560 20.213 -7.100 136 HA ASP 23 HA ASP 23 52.359 18.298 -5.024 137 HB2 ASP 23 HB2 ASP 23 53.373 20.766 -5.127 138 HB3 ASP 23 HB1 ASP 23 51.798 21.164 -4.444 139 H TRP 24 HN TRP 24 50.042 20.557 -6.440 140 HA TRP 24 HA TRP 24 47.964 19.702 -4.565 141 HB2 TRP 24 HB2 TRP 24 46.769 21.570 -5.210 142 HB3 TRP 24 HB1 TRP 24 48.415 22.135 -5.499 143 HD1 TRP 24 HD1 TRP 24 49.272 22.229 -8.021 144 HE1 TRP 24 HE1 TRP 24 47.996 22.332 -10.260 145 HE3 TRP 24 HE3 TRP 24 44.625 20.802 -6.457 146 HZ2 TRP 24 HZ2 TRP 24 45.355 21.872 -11.255 147 HZ3 TRP 24 HZ3 TRP 24 42.750 20.643 -8.069 148 HH2 TRP 24 HH2 TRP 24 43.109 21.176 -10.464 149 H LYS 25 HN LYS 25 49.263 18.291 -7.111 150 HA LYS 25 HA LYS 25 47.481 17.808 -9.103 151 HB2 LYS 25 HB2 LYS 25 49.676 16.700 -8.935 152 HB3 LYS 25 HB1 LYS 25 49.060 15.682 -7.633 153 HG2 LYS 25 HG2 LYS 25 48.070 14.282 -9.094 154 HG3 LYS 25 HG1 LYS 25 47.282 15.620 -9.930 155 HD2 LYS 25 HD2 LYS 25 50.193 14.893 -10.341 156 HD3 LYS 25 HD1 LYS 25 48.889 14.284 -11.361 157 HE2 LYS 25 HE2 LYS 25 48.683 17.161 -11.012 158 HE3 LYS 25 HE1 LYS 25 50.254 16.711 -11.676 159 HZ1 LYS 25 HZ1 LYS 25 48.518 15.136 -13.038 160 HZ2 LYS 25 HZ2 LYS 25 49.188 16.588 -13.612 161 HZ3 LYS 25 HZ3 LYS 25 47.653 16.587 -12.884 162 H SER 26 HN SER 26 45.463 17.073 -9.277 163 HA SER 26 HA SER 26 44.218 15.830 -6.910 164 HB2 SER 26 HB2 SER 26 42.236 16.478 -8.799 165 HB3 SER 26 HB1 SER 26 42.589 17.317 -7.292 166 HG SER 26 HG SER 26 42.810 18.792 -8.926 167 H SER 27 HN SER 27 44.795 13.692 -7.219 168 HA SER 27 HA SER 27 44.817 12.235 -9.576 169 HB2 SER 27 HB2 SER 27 45.481 10.692 -8.094 170 HB3 SER 27 HB1 SER 27 44.869 11.668 -6.761 171 HG SER 27 HG SER 27 43.555 9.691 -8.294 172 H GLY 28 HN GLY 28 42.164 12.092 -7.189 173 HA2 GLY 28 HA2 GLY 28 40.324 11.363 -9.368 174 HA3 GLY 28 HA1 GLY 28 40.036 11.110 -7.649 175 H ALA 29 HN ALA 29 41.198 13.987 -7.367 176 HA ALA 29 HA ALA 29 40.419 16.160 -7.351 177 HB1 ALA 29 HB1 ALA 29 39.027 16.901 -9.027 178 HB2 ALA 29 HB2 ALA 29 37.988 15.480 -8.943 179 HB3 ALA 29 HB3 ALA 29 39.557 15.379 -9.741 180 H LEU 30 HN LEU 30 39.908 14.563 -5.225 181 HA LEU 30 HA LEU 30 37.499 15.753 -4.171 182 HB2 LEU 30 HB2 LEU 30 36.285 13.778 -3.669 183 HB3 LEU 30 HB1 LEU 30 36.741 13.633 -5.365 184 HG LEU 30 HG LEU 30 38.049 12.270 -2.992 185 HD11 LEU 30 HD11 LEU 30 37.312 10.247 -4.033 186 HD12 LEU 30 HD12 LEU 30 36.856 11.096 -5.510 187 HD13 LEU 30 HD13 LEU 30 35.925 11.336 -4.031 188 HD21 LEU 30 HD21 LEU 30 39.470 11.217 -4.863 189 HD22 LEU 30 HD22 LEU 30 39.876 12.868 -4.401 190 HD23 LEU 30 HD23 LEU 30 38.942 12.565 -5.867 191 H ILE 31 HN ILE 31 40.511 15.424 -3.747 192 HA ILE 31 HA ILE 31 40.776 14.085 -1.224 193 HB ILE 31 HB ILE 31 42.700 16.147 -2.287 194 HG12 ILE 31 HG12 ILE 31 43.629 13.690 -3.140 195 HG13 ILE 31 HG11 ILE 31 41.899 13.569 -3.455 196 HG21 ILE 31 HG21 ILE 31 44.151 15.246 -0.786 197 HG22 ILE 31 HG22 ILE 31 43.582 13.602 -1.079 198 HG23 ILE 31 HG23 ILE 31 42.688 14.665 0.009 199 HD11 ILE 31 HD11 ILE 31 42.872 14.527 -5.423 200 HD12 ILE 31 HD12 ILE 31 43.818 15.673 -4.474 201 HD13 ILE 31 HD13 ILE 31 42.067 15.849 -4.577 202 HA PRO 32 HA PRO 32 40.492 18.463 0.563 203 HB2 PRO 32 HB2 PRO 32 39.471 20.474 -0.957 204 HB3 PRO 32 HB1 PRO 32 41.184 20.018 -0.989 205 HG2 PRO 32 HG2 PRO 32 39.091 19.574 -2.994 206 HG3 PRO 32 HG1 PRO 32 40.848 19.631 -3.185 207 HD2 PRO 32 HD2 PRO 32 39.180 17.300 -3.033 208 HD3 PRO 32 HD1 PRO 32 40.948 17.360 -3.174 209 H ALA 33 HN ALA 33 38.187 16.597 -0.695 210 HA ALA 33 HA ALA 33 35.915 18.122 0.418 211 HB1 ALA 33 HB1 ALA 33 34.497 16.546 -0.861 212 HB2 ALA 33 HB2 ALA 33 35.951 15.760 -1.476 213 HB3 ALA 33 HB3 ALA 33 35.605 17.435 -1.906 214 H ILE 34 HN ILE 34 37.049 14.742 0.160 215 HA ILE 34 HA ILE 34 35.512 13.905 2.438 216 HB ILE 34 HB ILE 34 37.782 12.501 1.007 217 HG12 ILE 34 HG12 ILE 34 34.794 12.129 0.667 218 HG13 ILE 34 HG11 ILE 34 35.759 13.162 -0.388 219 HG21 ILE 34 HG21 ILE 34 36.551 10.473 1.968 220 HG22 ILE 34 HG22 ILE 34 35.692 11.611 3.006 221 HG23 ILE 34 HG23 ILE 34 37.445 11.455 3.128 222 HD11 ILE 34 HD11 ILE 34 35.444 10.832 -1.278 223 HD12 ILE 34 HD12 ILE 34 36.352 10.232 0.111 224 HD13 ILE 34 HD13 ILE 34 37.135 11.286 -1.067 225 H TYR 35 HN TYR 35 38.941 14.595 1.828 226 HA TYR 35 HA TYR 35 39.815 13.939 4.464 227 HB2 TYR 35 HB2 TYR 35 41.142 14.278 2.188 228 HB3 TYR 35 HB1 TYR 35 41.304 15.922 2.805 229 HD1 TYR 35 HD1 TYR 35 41.972 12.345 3.545 230 HD2 TYR 35 HD2 TYR 35 42.701 16.422 4.689 231 HE1 TYR 35 HE1 TYR 35 43.759 11.592 5.092 232 HE2 TYR 35 HE2 TYR 35 44.488 15.668 6.236 233 HH TYR 35 HH TYR 35 45.119 13.627 7.457 234 H MET 36 HN MET 36 38.202 16.640 3.110 235 HA MET 36 HA MET 36 39.049 18.459 5.243 236 HB2 MET 36 HB2 MET 36 38.881 19.391 2.998 237 HB3 MET 36 HB1 MET 36 37.203 18.860 2.876 238 HG2 MET 36 HG2 MET 36 36.502 20.368 4.598 239 HG3 MET 36 HG1 MET 36 38.168 20.721 5.056 240 HE1 MET 36 HE1 MET 36 39.625 22.904 2.460 241 HE2 MET 36 HE2 MET 36 39.879 21.469 3.450 242 HE3 MET 36 HE3 MET 36 39.324 22.962 4.202 243 H LEU 37 HN LEU 37 35.930 17.368 3.875 244 HA LEU 37 HA LEU 37 34.441 18.195 6.169 245 HB2 LEU 37 HB2 LEU 37 33.630 16.232 4.012 246 HB3 LEU 37 HB1 LEU 37 32.554 17.113 5.096 247 HG LEU 37 HG LEU 37 34.414 18.380 3.060 248 HD11 LEU 37 HD11 LEU 37 31.654 17.383 2.940 249 HD12 LEU 37 HD12 LEU 37 32.752 17.810 1.628 250 HD13 LEU 37 HD13 LEU 37 31.811 19.066 2.435 251 HD21 LEU 37 HD21 LEU 37 32.588 19.448 5.194 252 HD22 LEU 37 HD22 LEU 37 32.785 20.362 3.699 253 HD23 LEU 37 HD23 LEU 37 34.186 20.013 4.709 254 H VAL 38 HN VAL 38 36.604 16.576 6.978 255 HA VAL 38 HA VAL 38 35.122 14.378 8.256 256 HB VAL 38 HB VAL 38 37.654 14.168 6.655 257 HG11 VAL 38 HG11 VAL 38 36.868 12.608 9.111 258 HG12 VAL 38 HG12 VAL 38 38.449 13.260 8.675 259 HG13 VAL 38 HG13 VAL 38 37.813 11.849 7.831 260 HG21 VAL 38 HG21 VAL 38 35.365 13.539 5.764 261 HG22 VAL 38 HG22 VAL 38 35.305 12.281 6.999 262 HG23 VAL 38 HG23 VAL 38 36.544 12.227 5.744 263 H PHE 39 HN PHE 39 37.936 16.505 8.208 264 HA PHE 39 HA PHE 39 38.930 15.791 10.776 265 HB2 PHE 39 HB2 PHE 39 40.386 16.920 9.223 266 HB3 PHE 39 HB1 PHE 39 39.279 18.288 9.106 267 HD1 PHE 39 HD1 PHE 39 41.243 16.337 11.633 268 HD2 PHE 39 HD2 PHE 39 39.576 20.135 10.516 269 HE1 PHE 39 HE1 PHE 39 42.347 17.395 13.585 270 HE2 PHE 39 HE2 PHE 39 40.679 21.194 12.469 271 HZ PHE 39 HZ PHE 39 42.065 19.824 14.003 272 H LEU 40 HN LEU 40 36.270 17.682 9.730 273 HA LEU 40 HA LEU 40 35.709 18.429 12.514 274 HB2 LEU 40 HB2 LEU 40 35.039 20.700 11.825 275 HB3 LEU 40 HB1 LEU 40 36.749 20.412 11.507 276 HG LEU 40 HG LEU 40 35.354 19.533 9.207 277 HD11 LEU 40 HD11 LEU 40 33.447 20.900 10.055 278 HD12 LEU 40 HD12 LEU 40 34.108 21.530 8.547 279 HD13 LEU 40 HD13 LEU 40 34.503 22.312 10.077 280 HD21 LEU 40 HD21 LEU 40 36.946 22.061 9.750 281 HD22 LEU 40 HD22 LEU 40 36.596 21.407 8.151 282 HD23 LEU 40 HD23 LEU 40 37.616 20.503 9.270 283 H LEU 41 HN LEU 41 34.735 16.584 10.224 284 HA LEU 41 HA LEU 41 31.942 16.784 10.886 285 HB2 LEU 41 HB2 LEU 41 32.290 18.515 9.048 286 HB3 LEU 41 HB1 LEU 41 32.642 17.160 7.975 287 HG LEU 41 HG LEU 41 30.368 16.231 9.038 288 HD11 LEU 41 HD11 LEU 41 30.207 18.313 10.481 289 HD12 LEU 41 HD12 LEU 41 28.783 17.982 9.493 290 HD13 LEU 41 HD13 LEU 41 29.931 19.227 8.999 291 HD21 LEU 41 HD21 LEU 41 30.608 16.448 6.676 292 HD22 LEU 41 HD22 LEU 41 30.743 18.204 6.777 293 HD23 LEU 41 HD23 LEU 41 29.194 17.419 7.086 294 H GLY 42 HN GLY 42 33.617 14.734 11.394 295 HA2 GLY 42 HA2 GLY 42 32.357 12.502 10.296 296 HA3 GLY 42 HA1 GLY 42 33.827 12.765 9.363 297 H THR 43 HN THR 43 35.167 13.938 11.766 298 HA THR 43 HA THR 43 35.621 11.443 13.294 299 HB THR 43 HB THR 43 37.569 13.360 12.054 300 HG1 THR 43 HG1 THR 43 36.836 11.092 11.384 301 HG21 THR 43 HG21 THR 43 39.278 12.140 13.581 302 HG22 THR 43 HG22 THR 43 37.891 11.812 14.617 303 HG23 THR 43 HG23 THR 43 38.357 13.477 14.267 304 H THR 44 HN THR 44 35.969 14.983 13.316 305 HA THR 44 HA THR 44 36.614 15.507 15.907 306 HB THR 44 HB THR 44 34.752 16.885 14.001 307 HG1 THR 44 HG1 THR 44 36.709 18.353 15.038 308 HG21 THR 44 HG21 THR 44 34.825 18.779 15.775 309 HG22 THR 44 HG22 THR 44 35.170 17.485 16.921 310 HG23 THR 44 HG23 THR 44 33.665 17.471 16.001 311 H GLY 45 HN GLY 45 33.578 14.251 14.708 312 HA2 GLY 45 HA2 GLY 45 31.755 14.721 16.665 313 HA3 GLY 45 HA1 GLY 45 31.897 13.154 15.873 314 H ASN 46 HN ASN 46 33.120 11.496 16.870 315 HA ASN 46 HA ASN 46 34.314 11.924 19.469 316 HB2 ASN 46 HB2 ASN 46 31.641 10.587 19.161 317 HB3 ASN 46 HB1 ASN 46 32.739 10.101 20.452 318 HD21 ASN 46 HD21 ASN 46 33.595 12.031 21.827 319 HD22 ASN 46 HD22 ASN 46 32.495 13.284 22.147 320 H GLY 47 HN GLY 47 36.168 10.960 18.734 321 HA2 GLY 47 HA2 GLY 47 36.538 8.237 18.951 322 HA3 GLY 47 HA1 GLY 47 36.197 8.515 17.245 323 H LEU 48 HN LEU 48 38.216 9.861 19.864 324 HA LEU 48 HA LEU 48 40.486 9.914 17.980 325 HB2 LEU 48 HB2 LEU 48 39.484 12.172 19.710 326 HB3 LEU 48 HB1 LEU 48 41.149 12.107 19.132 327 HG LEU 48 HG LEU 48 39.121 11.596 17.053 328 HD11 LEU 48 HD11 LEU 48 38.743 14.142 16.873 329 HD12 LEU 48 HD12 LEU 48 39.255 14.210 18.560 330 HD13 LEU 48 HD13 LEU 48 37.827 13.279 18.108 331 HD21 LEU 48 HD21 LEU 48 41.551 11.867 16.627 332 HD22 LEU 48 HD22 LEU 48 41.470 13.507 17.273 333 HD23 LEU 48 HD23 LEU 48 40.606 13.100 15.790 334 H VAL 49 HN VAL 49 39.258 9.681 21.243 335 HA VAL 49 HA VAL 49 41.860 9.401 22.465 336 HB VAL 49 HB VAL 49 40.626 8.936 24.504 337 HG11 VAL 49 HG11 VAL 49 39.228 10.975 24.590 338 HG12 VAL 49 HG12 VAL 49 39.271 11.075 22.830 339 HG13 VAL 49 HG13 VAL 49 40.753 11.284 23.762 340 HG21 VAL 49 HG21 VAL 49 37.979 9.087 24.073 341 HG22 VAL 49 HG22 VAL 49 38.841 7.547 24.059 342 HG23 VAL 49 HG23 VAL 49 38.456 8.358 22.539 343 H LEU 50 HN LEU 50 40.740 7.528 20.272 344 HA LEU 50 HA LEU 50 41.746 5.082 21.522 345 HB2 LEU 50 HB2 LEU 50 39.751 3.891 20.286 346 HB3 LEU 50 HB1 LEU 50 39.524 4.557 21.903 347 HG LEU 50 HG LEU 50 38.563 6.602 20.961 348 HD11 LEU 50 HD11 LEU 50 39.723 6.894 18.910 349 HD12 LEU 50 HD12 LEU 50 38.065 6.529 18.431 350 HD13 LEU 50 HD13 LEU 50 39.302 5.276 18.348 351 HD21 LEU 50 HD21 LEU 50 37.342 4.167 21.071 352 HD22 LEU 50 HD22 LEU 50 37.082 4.584 19.377 353 HD23 LEU 50 HD23 LEU 50 36.506 5.661 20.649 354 H TRP 51 HN TRP 51 42.145 7.193 19.209 355 HA TRP 51 HA TRP 51 42.502 5.264 17.008 356 HB2 TRP 51 HB2 TRP 51 41.524 6.972 15.895 357 HB3 TRP 51 HB1 TRP 51 41.899 8.137 17.164 358 HD1 TRP 51 HD1 TRP 51 43.824 6.178 14.430 359 HE1 TRP 51 HE1 TRP 51 45.666 7.720 13.493 360 HE3 TRP 51 HE3 TRP 51 43.119 10.289 17.378 361 HZ2 TRP 51 HZ2 TRP 51 46.704 10.348 13.936 362 HZ3 TRP 51 HZ3 TRP 51 44.547 12.296 17.099 363 HH2 TRP 51 HH2 TRP 51 46.337 12.330 15.383 364 H THR 52 HN THR 52 44.237 8.149 18.204 365 HA THR 52 HA THR 52 46.760 7.161 17.242 366 HB THR 52 HB THR 52 46.332 9.560 17.296 367 HG1 THR 52 HG1 THR 52 48.155 9.977 18.975 368 HG21 THR 52 HG21 THR 52 44.801 9.523 19.255 369 HG22 THR 52 HG22 THR 52 46.059 10.750 19.414 370 HG23 THR 52 HG23 THR 52 46.188 9.234 20.306 371 H VAL 53 HN VAL 53 45.089 7.271 20.334 372 HA VAL 53 HA VAL 53 47.278 6.578 21.988 373 HB VAL 53 HB VAL 53 44.292 6.319 22.267 374 HG11 VAL 53 HG11 VAL 53 44.979 5.775 24.738 375 HG12 VAL 53 HG12 VAL 53 46.476 5.199 24.006 376 HG13 VAL 53 HG13 VAL 53 44.936 4.470 23.552 377 HG21 VAL 53 HG21 VAL 53 46.083 7.789 24.149 378 HG22 VAL 53 HG22 VAL 53 44.474 8.216 23.566 379 HG23 VAL 53 HG23 VAL 53 45.882 8.467 22.534 380 H PHE 54 HN PHE 54 45.095 4.690 20.001 381 HA PHE 54 HA PHE 54 45.866 2.149 21.120 382 HB2 PHE 54 HB2 PHE 54 43.849 3.095 19.376 383 HB3 PHE 54 HB1 PHE 54 44.790 1.912 18.466 384 HD1 PHE 54 HD2 PHE 54 45.124 -0.395 19.388 385 HD2 PHE 54 HD1 PHE 54 42.460 2.437 21.214 386 HE1 PHE 54 HE2 PHE 54 44.031 -2.233 20.644 387 HE2 PHE 54 HE1 PHE 54 41.366 0.598 22.469 388 HZ PHE 54 HZ PHE 54 42.152 -1.737 22.185 389 H ARG 55 HN ARG 55 47.304 4.338 18.983 390 HA ARG 55 HA ARG 55 48.805 2.276 17.536 391 HB2 ARG 55 HB2 ARG 55 48.496 5.252 17.237 392 HB3 ARG 55 HB1 ARG 55 49.825 4.400 16.450 393 HG2 ARG 55 HG2 ARG 55 48.387 3.139 15.097 394 HG3 ARG 55 HG1 ARG 55 47.008 3.381 16.170 395 HD2 ARG 55 HD2 ARG 55 47.009 4.723 13.981 396 HD3 ARG 55 HD1 ARG 55 46.712 5.626 15.463 397 HE ARG 55 HE ARG 55 49.413 5.812 15.149 398 HH11 ARG 55 HH21 ARG 55 46.673 6.376 13.112 399 HH12 ARG 55 HH22 ARG 55 47.439 7.628 12.192 400 HH21 ARG 55 HH11 ARG 55 50.425 7.453 13.947 401 HH22 ARG 55 HH12 ARG 55 49.565 8.238 12.666 402 H LYS 56 HN LYS 56 49.044 3.269 20.500 403 HA LYS 56 HA LYS 56 51.898 3.976 20.485 404 HB2 LYS 56 HB2 LYS 56 50.012 3.866 22.846 405 HB3 LYS 56 HB1 LYS 56 51.601 4.629 22.779 406 HG2 LYS 56 HG2 LYS 56 49.177 5.455 21.152 407 HG3 LYS 56 HG1 LYS 56 49.815 6.314 22.555 408 HD2 LYS 56 HD2 LYS 56 52.063 6.293 21.187 409 HD3 LYS 56 HD1 LYS 56 50.993 6.044 19.807 410 HE2 LYS 56 HE2 LYS 56 49.649 8.049 20.745 411 HE3 LYS 56 HE1 LYS 56 51.088 8.382 21.709 412 HZ1 LYS 56 HZ1 LYS 56 52.258 8.093 19.409 413 HZ2 LYS 56 HZ2 LYS 56 51.542 9.574 19.834 414 HZ3 LYS 56 HZ3 LYS 56 50.727 8.499 18.801 415 H LYS 57 HN LYS 57 49.704 1.761 22.231 416 HA LYS 57 HA LYS 57 51.578 0.182 23.499 417 HB2 LYS 57 HB2 LYS 57 49.885 -1.609 23.467 418 HB3 LYS 57 HB1 LYS 57 49.159 -0.048 23.858 419 HG2 LYS 57 HG2 LYS 57 47.736 -0.340 22.140 420 HG3 LYS 57 HG1 LYS 57 49.112 -0.239 21.040 421 HD2 LYS 57 HD2 LYS 57 47.975 -2.332 20.613 422 HD3 LYS 57 HD1 LYS 57 49.502 -2.698 21.418 423 HE2 LYS 57 HE2 LYS 57 47.630 -2.271 23.485 424 HE3 LYS 57 HE1 LYS 57 46.807 -3.277 22.293 425 HZ1 LYS 57 HZ1 LYS 57 49.568 -3.948 22.998 426 HZ2 LYS 57 HZ2 LYS 57 48.284 -4.968 22.553 427 HZ3 LYS 57 HZ3 LYS 57 48.352 -4.316 24.121 428 H GLY 58 HN GLY 58 51.156 0.578 20.168 429 HA2 GLY 58 HA2 GLY 58 53.221 -0.548 19.057 430 HA3 GLY 58 HA1 GLY 58 52.374 -2.022 19.518 431 H HIS 59 HN HIS 59 50.222 -2.378 18.627 432 HA HIS 59 HA HIS 59 49.165 -0.757 16.538 433 HB2 HIS 59 HB2 HIS 59 49.605 -2.345 14.663 434 HB3 HIS 59 HB1 HIS 59 51.064 -1.553 15.260 435 HD2 HIS 59 HD2 HIS 59 50.298 -4.178 17.817 436 HE1 HIS 59 HE1 HIS 59 52.685 -6.167 14.959 437 HE2 HIS 59 HE2 HIS 59 51.710 -6.312 17.300 438 H HIS 60 HN HIS 60 47.714 -1.515 18.499 439 HA HIS 60 HA HIS 60 45.872 -2.699 19.197 440 HB2 HIS 60 HB2 HIS 60 45.233 -1.998 16.817 441 HB3 HIS 60 HB1 HIS 60 45.630 -3.651 16.346 442 HD2 HIS 60 HD2 HIS 60 44.229 -4.357 19.631 443 HE1 HIS 60 HE1 HIS 60 40.765 -3.869 17.269 444 HE2 HIS 60 HE2 HIS 60 41.651 -4.742 19.483 445 H HIS 61 HN HIS 61 48.546 -4.023 19.104 446 HA HIS 61 HA HIS 61 47.676 -6.652 19.834 447 HB2 HIS 61 HB2 HIS 61 47.807 -6.639 17.243 448 HB3 HIS 61 HB1 HIS 61 49.554 -6.612 17.485 449 HD2 HIS 61 HD2 HIS 61 46.669 -8.879 19.084 450 HE1 HIS 61 HE1 HIS 61 49.994 -11.295 18.118 451 HE2 HIS 61 HE2 HIS 61 47.651 -11.299 19.098 452 H HIS 62 HN HIS 62 50.415 -7.670 18.973 453 HA HIS 62 HA HIS 62 52.456 -7.956 19.990 454 HB2 HIS 62 HB2 HIS 62 52.874 -5.770 18.934 455 HB3 HIS 62 HB1 HIS 62 52.230 -4.959 20.363 456 HD2 HIS 62 HD2 HIS 62 54.281 -4.261 22.056 457 HE1 HIS 62 HE1 HIS 62 56.959 -7.384 21.110 458 HE2 HIS 62 HE2 HIS 62 56.627 -5.305 22.530 459 H HIS 63 HN HIS 63 52.219 -9.131 21.810 460 HA HIS 63 HA HIS 63 52.473 -7.918 24.347 461 HB2 HIS 63 HB2 HIS 63 50.220 -8.740 25.245 462 HB3 HIS 63 HB1 HIS 63 50.194 -7.276 24.263 463 HD2 HIS 63 HD2 HIS 63 48.172 -7.460 22.408 464 HE1 HIS 63 HE1 HIS 63 48.280 -11.634 21.783 465 HE2 HIS 63 HE2 HIS 63 47.126 -9.473 21.114 466 H HIS 64 HN HIS 64 53.940 -9.851 23.194 467 HA HIS 64 HA HIS 64 53.329 -12.504 23.391 468 HB2 HIS 64 HB2 HIS 64 55.612 -11.194 22.927 469 HB3 HIS 64 HB1 HIS 64 55.929 -11.688 24.590 470 HD2 HIS 64 HD2 HIS 64 54.498 -13.690 21.434 471 HE1 HIS 64 HE1 HIS 64 57.269 -16.110 23.505 472 HE2 HIS 64 HE2 HIS 64 55.695 -16.009 21.514 Start of MODEL 26 1 H1 MET 1 HT1 MET 1 16.820 -4.943 6.452 2 H2 MET 1 HT2 MET 1 16.035 -4.246 5.116 3 H3 MET 1 HT3 MET 1 16.978 -5.645 4.916 4 HA MET 1 HA MET 1 14.868 -5.914 6.865 5 HB2 MET 1 HB2 MET 1 14.312 -5.302 3.958 6 HB3 MET 1 HB1 MET 1 13.190 -6.242 4.943 7 HG2 MET 1 HG2 MET 1 14.205 -3.638 6.020 8 HG3 MET 1 HG1 MET 1 12.949 -3.610 4.781 9 HE1 MET 1 HE1 MET 1 12.685 -2.804 8.304 10 HE2 MET 1 HE2 MET 1 10.975 -2.815 7.877 11 HE3 MET 1 HE3 MET 1 12.160 -2.211 6.722 12 H GLU 2 HN GLU 2 14.760 -8.044 7.256 13 HA GLU 2 HA GLU 2 15.257 -10.287 7.123 14 HB2 GLU 2 HB2 GLU 2 14.596 -9.774 4.212 15 HB3 GLU 2 HB1 GLU 2 14.658 -11.359 4.985 16 HG2 GLU 2 HG2 GLU 2 12.997 -9.453 6.457 17 HG3 GLU 2 HG1 GLU 2 12.416 -9.733 4.816 18 H GLU 3 HN GLU 3 17.518 -8.643 7.080 19 HA GLU 3 HA GLU 3 19.361 -8.927 5.061 20 HB2 GLU 3 HB2 GLU 3 19.515 -8.618 8.001 21 HB3 GLU 3 HB1 GLU 3 20.973 -9.225 7.215 22 HG2 GLU 3 HG2 GLU 3 21.071 -7.322 5.747 23 HG3 GLU 3 HG1 GLU 3 19.477 -6.772 6.262 24 H GLY 4 HN GLY 4 20.001 -10.677 3.990 25 HA2 GLY 4 HA2 GLY 4 19.903 -13.304 5.283 26 HA3 GLY 4 HA1 GLY 4 20.115 -12.997 3.562 27 H GLY 5 HN GLY 5 22.221 -11.233 3.544 28 HA2 GLY 5 HA2 GLY 5 24.493 -10.965 4.193 29 HA3 GLY 5 HA1 GLY 5 24.406 -12.507 5.040 30 H ASP 6 HN ASP 6 24.810 -14.405 3.942 31 HA ASP 6 HA ASP 6 26.442 -14.260 1.638 32 HB2 ASP 6 HB2 ASP 6 26.387 -16.076 3.456 33 HB3 ASP 6 HB1 ASP 6 25.024 -16.751 2.563 34 H PHE 7 HN PHE 7 23.273 -13.656 1.784 35 HA PHE 7 HA PHE 7 22.297 -15.224 -0.428 36 HB2 PHE 7 HB2 PHE 7 21.220 -13.346 1.505 37 HB3 PHE 7 HB1 PHE 7 20.625 -13.007 -0.121 38 HD1 PHE 7 HD2 PHE 7 21.143 -15.815 2.299 39 HD2 PHE 7 HD1 PHE 7 18.911 -14.318 -1.053 40 HE1 PHE 7 HE2 PHE 7 19.606 -17.756 2.454 41 HE2 PHE 7 HE1 PHE 7 17.375 -16.259 -0.898 42 HZ PHE 7 HZ PHE 7 17.723 -17.978 0.856 43 H ASP 8 HN ASP 8 22.302 -11.680 -0.156 44 HA ASP 8 HA ASP 8 22.331 -11.185 -2.906 45 HB2 ASP 8 HB2 ASP 8 22.012 -9.620 -0.757 46 HB3 ASP 8 HB1 ASP 8 23.694 -9.234 -1.122 47 H ASN 9 HN ASN 9 23.837 -11.868 -4.291 48 HA ASN 9 HA ASN 9 26.659 -11.895 -3.446 49 HB2 ASN 9 HB2 ASN 9 27.054 -13.444 -5.215 50 HB3 ASN 9 HB1 ASN 9 25.571 -13.970 -4.419 51 HD21 ASN 9 HD21 ASN 9 26.632 -14.094 -7.371 52 HD22 ASN 9 HD22 ASN 9 25.299 -13.550 -8.271 53 H TYR 10 HN TYR 10 24.741 -9.667 -4.622 54 HA TYR 10 HA TYR 10 25.097 -7.731 -5.810 55 HB2 TYR 10 HB2 TYR 10 27.899 -8.573 -6.454 56 HB3 TYR 10 HB1 TYR 10 27.271 -6.965 -6.094 57 HD1 TYR 10 HD2 TYR 10 26.166 -6.734 -3.677 58 HD2 TYR 10 HD1 TYR 10 29.088 -9.684 -4.776 59 HE1 TYR 10 HE2 TYR 10 26.773 -7.023 -1.290 60 HE2 TYR 10 HE1 TYR 10 29.695 -9.974 -2.390 61 HH TYR 10 HH TYR 10 27.810 -8.591 0.165 62 H TYR 11 HN TYR 11 27.178 -10.127 -7.447 63 HA TYR 11 HA TYR 11 27.243 -10.843 -9.627 64 HB2 TYR 11 HB2 TYR 11 25.247 -12.002 -9.361 65 HB3 TYR 11 HB1 TYR 11 24.310 -10.534 -9.087 66 HD1 TYR 11 HD1 TYR 11 23.664 -9.076 -10.968 67 HD2 TYR 11 HD2 TYR 11 25.780 -12.759 -11.603 68 HE1 TYR 11 HE1 TYR 11 23.089 -8.991 -13.379 69 HE2 TYR 11 HE2 TYR 11 25.205 -12.675 -14.013 70 HH TYR 11 HH TYR 11 24.390 -11.364 -15.662 71 H GLY 12 HN GLY 12 27.023 -10.166 -11.880 72 HA2 GLY 12 HA2 GLY 12 27.517 -8.511 -13.429 73 HA3 GLY 12 HA1 GLY 12 25.923 -7.930 -12.953 74 H ALA 13 HN ALA 13 28.525 -8.054 -10.656 75 HA ALA 13 HA ALA 13 28.287 -5.329 -9.947 76 HB1 ALA 13 HB1 ALA 13 29.878 -5.774 -8.338 77 HB2 ALA 13 HB2 ALA 13 30.818 -6.821 -9.402 78 HB3 ALA 13 HB3 ALA 13 29.321 -7.413 -8.679 79 H ASP 14 HN ASP 14 30.229 -6.991 -12.313 80 HA ASP 14 HA ASP 14 32.280 -5.124 -12.712 81 HB2 ASP 14 HB2 ASP 14 32.021 -7.453 -13.738 82 HB3 ASP 14 HB1 ASP 14 30.974 -6.691 -14.934 83 H ASN 15 HN ASN 15 28.980 -4.698 -13.069 84 HA ASN 15 HA ASN 15 28.849 -3.050 -15.376 85 HB2 ASN 15 HB2 ASN 15 26.902 -4.130 -14.163 86 HB3 ASN 15 HB1 ASN 15 27.061 -2.862 -12.948 87 HD21 ASN 15 HD21 ASN 15 25.035 -3.513 -15.309 88 HD22 ASN 15 HD22 ASN 15 24.814 -1.985 -16.016 89 H GLN 16 HN GLN 16 29.441 -2.379 -11.954 90 HA GLN 16 HA GLN 16 29.807 0.474 -12.571 91 HB2 GLN 16 HB2 GLN 16 29.796 -0.874 -9.864 92 HB3 GLN 16 HB1 GLN 16 29.688 0.855 -10.195 93 HG2 GLN 16 HG2 GLN 16 27.557 0.427 -11.442 94 HG3 GLN 16 HG1 GLN 16 27.644 -1.258 -10.931 95 HE21 GLN 16 HE21 GLN 16 25.448 0.363 -10.131 96 HE22 GLN 16 HE22 GLN 16 25.553 0.633 -8.458 97 H SER 17 HN SER 17 31.751 -1.259 -13.594 98 HA SER 17 HA SER 17 34.030 -1.127 -11.762 99 HB2 SER 17 HB2 SER 17 33.483 -3.128 -13.289 100 HB3 SER 17 HB1 SER 17 34.092 -2.128 -14.604 101 HG SER 17 HG SER 17 35.501 -3.592 -12.998 102 H GLU 18 HN GLU 18 36.076 -0.802 -13.638 103 HA GLU 18 HA GLU 18 36.175 2.040 -13.827 104 HB2 GLU 18 HB2 GLU 18 38.351 1.639 -14.959 105 HB3 GLU 18 HB1 GLU 18 38.206 0.764 -13.434 106 HG2 GLU 18 HG2 GLU 18 37.444 -1.246 -14.743 107 HG3 GLU 18 HG1 GLU 18 37.817 -0.360 -16.220 108 H CYS 19 HN CYS 19 33.945 1.098 -15.246 109 HA CYS 19 HA CYS 19 34.449 0.918 -18.049 110 HB2 CYS 19 HB2 CYS 19 31.965 1.431 -18.202 111 HB3 CYS 19 HB1 CYS 19 32.395 0.009 -17.251 112 HG CYS 19 HG CYS 19 31.001 1.164 -15.526 113 H GLU 20 HN GLU 20 32.966 3.526 -16.112 114 HA GLU 20 HA GLU 20 34.109 5.479 -18.019 115 HB2 GLU 20 HB2 GLU 20 31.370 5.590 -16.734 116 HB3 GLU 20 HB1 GLU 20 32.067 6.822 -17.786 117 HG2 GLU 20 HG2 GLU 20 31.785 3.952 -18.678 118 HG3 GLU 20 HG1 GLU 20 30.480 5.117 -18.882 119 H TYR 21 HN TYR 21 33.272 4.636 -14.742 120 HA TYR 21 HA TYR 21 33.860 7.189 -13.583 121 HB2 TYR 21 HB2 TYR 21 33.561 4.405 -12.461 122 HB3 TYR 21 HB1 TYR 21 34.008 5.778 -11.448 123 HD1 TYR 21 HD2 TYR 21 32.445 7.618 -11.044 124 HD2 TYR 21 HD1 TYR 21 31.347 4.258 -13.485 125 HE1 TYR 21 HE2 TYR 21 30.065 8.301 -10.916 126 HE2 TYR 21 HE1 TYR 21 28.967 4.941 -13.356 127 HH TYR 21 HH TYR 21 28.005 7.941 -11.710 128 H THR 22 HN THR 22 35.920 6.930 -15.209 129 HA THR 22 HA THR 22 38.177 6.481 -13.384 130 HB THR 22 HB THR 22 38.850 4.646 -14.482 131 HG1 THR 22 HG1 THR 22 39.957 5.056 -16.254 132 HG21 THR 22 HG21 THR 22 36.531 4.208 -15.086 133 HG22 THR 22 HG22 THR 22 37.573 3.787 -16.445 134 HG23 THR 22 HG23 THR 22 36.656 5.293 -16.470 135 H ASP 23 HN ASP 23 37.203 7.597 -16.625 136 HA ASP 23 HA ASP 23 39.428 9.313 -17.011 137 HB2 ASP 23 HB2 ASP 23 36.848 8.794 -18.338 138 HB3 ASP 23 HB1 ASP 23 37.467 10.432 -18.544 139 H TRP 24 HN TRP 24 36.026 10.197 -16.359 140 HA TRP 24 HA TRP 24 36.539 12.888 -15.744 141 HB2 TRP 24 HB2 TRP 24 34.306 13.024 -15.147 142 HB3 TRP 24 HB1 TRP 24 34.288 11.578 -16.157 143 HD1 TRP 24 HD1 TRP 24 33.822 9.280 -15.018 144 HE1 TRP 24 HE1 TRP 24 33.087 8.594 -12.643 145 HE3 TRP 24 HE3 TRP 24 34.540 13.699 -12.561 146 HZ2 TRP 24 HZ2 TRP 24 32.836 9.766 -10.046 147 HZ3 TRP 24 HZ3 TRP 24 34.045 13.885 -10.140 148 HH2 TRP 24 HH2 TRP 24 33.195 11.926 -8.882 149 H LYS 25 HN LYS 25 37.082 10.021 -13.931 150 HA LYS 25 HA LYS 25 36.816 10.658 -11.304 151 HB2 LYS 25 HB2 LYS 25 37.885 8.573 -12.353 152 HB3 LYS 25 HB1 LYS 25 39.397 9.482 -12.325 153 HG2 LYS 25 HG2 LYS 25 39.191 9.803 -9.904 154 HG3 LYS 25 HG1 LYS 25 37.641 8.961 -9.909 155 HD2 LYS 25 HD2 LYS 25 39.870 7.479 -11.165 156 HD3 LYS 25 HD1 LYS 25 40.031 7.735 -9.427 157 HE2 LYS 25 HE2 LYS 25 37.976 6.635 -8.965 158 HE3 LYS 25 HE1 LYS 25 37.471 6.702 -10.654 159 HZ1 LYS 25 HZ1 LYS 25 38.679 4.905 -11.173 160 HZ2 LYS 25 HZ2 LYS 25 38.630 4.579 -9.507 161 HZ3 LYS 25 HZ3 LYS 25 39.983 5.350 -10.185 162 H SER 26 HN SER 26 37.492 12.225 -9.993 163 HA SER 26 HA SER 26 39.220 14.307 -10.942 164 HB2 SER 26 HB2 SER 26 37.732 13.746 -8.411 165 HB3 SER 26 HB1 SER 26 39.012 14.955 -8.393 166 HG SER 26 HG SER 26 36.634 15.431 -9.081 167 H SER 27 HN SER 27 39.534 12.486 -7.896 168 HA SER 27 HA SER 27 41.362 11.437 -6.950 169 HB2 SER 27 HB2 SER 27 43.157 12.046 -9.240 170 HB3 SER 27 HB1 SER 27 43.001 10.569 -8.294 171 HG SER 27 HG SER 27 42.023 10.969 -10.638 172 H GLY 28 HN GLY 28 41.381 14.583 -8.281 173 HA2 GLY 28 HA2 GLY 28 43.360 15.430 -6.259 174 HA3 GLY 28 HA1 GLY 28 43.483 16.015 -7.915 175 H ALA 29 HN ALA 29 40.274 15.602 -7.287 176 HA ALA 29 HA ALA 29 39.927 18.345 -6.240 177 HB1 ALA 29 HB1 ALA 29 38.009 17.262 -8.257 178 HB2 ALA 29 HB2 ALA 29 39.558 17.888 -8.821 179 HB3 ALA 29 HB3 ALA 29 38.459 18.934 -7.920 180 H LEU 30 HN LEU 30 39.283 15.097 -5.880 181 HA LEU 30 HA LEU 30 36.767 15.602 -4.412 182 HB2 LEU 30 HB2 LEU 30 37.726 13.386 -6.094 183 HB3 LEU 30 HB1 LEU 30 36.991 12.873 -4.578 184 HG LEU 30 HG LEU 30 35.360 13.094 -6.486 185 HD11 LEU 30 HD11 LEU 30 33.860 13.409 -4.841 186 HD12 LEU 30 HD12 LEU 30 34.216 15.135 -4.837 187 HD13 LEU 30 HD13 LEU 30 35.136 14.044 -3.802 188 HD21 LEU 30 HD21 LEU 30 35.331 16.039 -6.207 189 HD22 LEU 30 HD22 LEU 30 35.097 15.041 -7.642 190 HD23 LEU 30 HD23 LEU 30 36.726 15.386 -7.065 191 H ILE 31 HN ILE 31 40.060 14.977 -4.059 192 HA ILE 31 HA ILE 31 39.799 13.564 -1.520 193 HB ILE 31 HB ILE 31 42.450 14.576 -2.327 194 HG12 ILE 31 HG12 ILE 31 41.572 14.123 -4.552 195 HG13 ILE 31 HG11 ILE 31 42.661 12.815 -4.101 196 HG21 ILE 31 HG21 ILE 31 41.417 11.802 -1.667 197 HG22 ILE 31 HG22 ILE 31 41.990 12.963 -0.468 198 HG23 ILE 31 HG23 ILE 31 43.102 12.327 -1.681 199 HD11 ILE 31 HD11 ILE 31 39.793 12.727 -4.670 200 HD12 ILE 31 HD12 ILE 31 40.200 11.950 -3.141 201 HD13 ILE 31 HD13 ILE 31 40.969 11.415 -4.633 202 HA PRO 32 HA PRO 32 41.478 17.739 -0.012 203 HB2 PRO 32 HB2 PRO 32 41.300 19.899 -1.714 204 HB3 PRO 32 HB1 PRO 32 42.722 18.853 -1.571 205 HG2 PRO 32 HG2 PRO 32 40.790 19.065 -3.737 206 HG3 PRO 32 HG1 PRO 32 42.400 18.334 -3.728 207 HD2 PRO 32 HD2 PRO 32 39.848 17.004 -3.595 208 HD3 PRO 32 HD1 PRO 32 41.465 16.268 -3.609 209 H ALA 33 HN ALA 33 38.690 16.752 -0.534 210 HA ALA 33 HA ALA 33 37.293 19.089 0.559 211 HB1 ALA 33 HB1 ALA 33 35.329 18.595 -0.920 212 HB2 ALA 33 HB2 ALA 33 36.354 17.485 -1.829 213 HB3 ALA 33 HB3 ALA 33 36.736 19.207 -1.788 214 H ILE 34 HN ILE 34 36.950 15.666 -0.382 215 HA ILE 34 HA ILE 34 34.950 15.096 1.577 216 HB ILE 34 HB ILE 34 36.732 13.401 -0.161 217 HG12 ILE 34 HG12 ILE 34 33.713 13.579 0.032 218 HG13 ILE 34 HG11 ILE 34 34.666 14.617 -1.029 219 HG21 ILE 34 HG21 ILE 34 36.579 12.005 1.724 220 HG22 ILE 34 HG22 ILE 34 35.188 11.509 0.762 221 HG23 ILE 34 HG23 ILE 34 34.968 12.586 2.141 222 HD11 ILE 34 HD11 ILE 34 33.910 12.703 -2.316 223 HD12 ILE 34 HD12 ILE 34 34.532 11.590 -1.097 224 HD13 ILE 34 HD13 ILE 34 35.649 12.551 -2.065 225 H TYR 35 HN TYR 35 38.374 14.095 1.359 226 HA TYR 35 HA TYR 35 38.641 12.922 3.843 227 HB2 TYR 35 HB2 TYR 35 40.758 12.725 3.141 228 HB3 TYR 35 HB1 TYR 35 40.381 13.791 1.788 229 HD1 TYR 35 HD1 TYR 35 40.425 16.348 2.251 230 HD2 TYR 35 HD2 TYR 35 42.262 13.423 4.805 231 HE1 TYR 35 HE1 TYR 35 41.860 18.111 3.240 232 HE2 TYR 35 HE2 TYR 35 43.696 15.187 5.794 233 HH TYR 35 HH TYR 35 43.339 18.597 4.834 234 H MET 36 HN MET 36 38.263 16.269 3.054 235 HA MET 36 HA MET 36 39.158 17.182 5.678 236 HB2 MET 36 HB2 MET 36 39.551 18.453 3.496 237 HB3 MET 36 HB1 MET 36 37.831 18.842 3.536 238 HG2 MET 36 HG2 MET 36 38.543 19.466 6.090 239 HG3 MET 36 HG1 MET 36 40.033 19.858 5.231 240 HE1 MET 36 HE1 MET 36 39.224 22.545 2.776 241 HE2 MET 36 HE2 MET 36 39.180 20.831 2.371 242 HE3 MET 36 HE3 MET 36 40.380 21.428 3.513 243 H LEU 37 HN LEU 37 36.155 17.015 3.779 244 HA LEU 37 HA LEU 37 34.424 18.222 5.600 245 HB2 LEU 37 HB2 LEU 37 34.054 16.110 3.495 246 HB3 LEU 37 HB1 LEU 37 32.708 16.571 4.536 247 HG LEU 37 HG LEU 37 34.316 18.726 3.205 248 HD11 LEU 37 HD11 LEU 37 32.102 17.125 1.885 249 HD12 LEU 37 HD12 LEU 37 33.796 17.133 1.398 250 HD13 LEU 37 HD13 LEU 37 32.827 18.597 1.235 251 HD21 LEU 37 HD21 LEU 37 31.339 18.685 3.446 252 HD22 LEU 37 HD22 LEU 37 32.461 20.028 3.651 253 HD23 LEU 37 HD23 LEU 37 32.268 18.836 4.937 254 H VAL 38 HN VAL 38 36.133 15.282 5.857 255 HA VAL 38 HA VAL 38 34.320 14.260 7.941 256 HB VAL 38 HB VAL 38 36.668 12.941 6.556 257 HG11 VAL 38 HG11 VAL 38 34.979 12.220 8.883 258 HG12 VAL 38 HG12 VAL 38 36.613 11.700 8.474 259 HG13 VAL 38 HG13 VAL 38 35.225 10.942 7.693 260 HG21 VAL 38 HG21 VAL 38 35.186 12.107 5.046 261 HG22 VAL 38 HG22 VAL 38 34.148 13.438 5.555 262 HG23 VAL 38 HG23 VAL 38 33.950 11.840 6.275 263 H PHE 39 HN PHE 39 37.072 16.126 7.593 264 HA PHE 39 HA PHE 39 38.679 15.220 9.748 265 HB2 PHE 39 HB2 PHE 39 39.572 16.716 8.045 266 HB3 PHE 39 HB1 PHE 39 38.428 17.973 8.513 267 HD1 PHE 39 HD1 PHE 39 41.113 15.788 9.949 268 HD2 PHE 39 HD2 PHE 39 39.035 19.542 10.144 269 HE1 PHE 39 HE1 PHE 39 42.686 16.567 11.700 270 HE2 PHE 39 HE2 PHE 39 40.609 20.322 11.895 271 HZ PHE 39 HZ PHE 39 42.435 18.835 12.673 272 H LEU 40 HN LEU 40 35.832 17.224 9.558 273 HA LEU 40 HA LEU 40 36.029 17.811 12.449 274 HB2 LEU 40 HB2 LEU 40 34.295 19.554 11.962 275 HB3 LEU 40 HB1 LEU 40 35.831 19.829 11.139 276 HG LEU 40 HG LEU 40 34.073 18.142 9.552 277 HD11 LEU 40 HD11 LEU 40 33.077 20.876 10.401 278 HD12 LEU 40 HD12 LEU 40 32.248 19.333 10.605 279 HD13 LEU 40 HD13 LEU 40 32.473 20.007 8.991 280 HD21 LEU 40 HD21 LEU 40 36.069 19.350 8.725 281 HD22 LEU 40 HD22 LEU 40 35.290 20.887 9.099 282 HD23 LEU 40 HD23 LEU 40 34.621 19.842 7.847 283 H LEU 41 HN LEU 41 34.600 15.733 10.286 284 HA LEU 41 HA LEU 41 32.430 15.131 12.191 285 HB2 LEU 41 HB2 LEU 41 32.213 15.436 9.197 286 HB3 LEU 41 HB1 LEU 41 31.038 14.514 10.136 287 HG LEU 41 HG LEU 41 31.650 17.150 11.284 288 HD11 LEU 41 HD11 LEU 41 30.337 18.394 9.596 289 HD12 LEU 41 HD12 LEU 41 30.264 16.945 8.593 290 HD13 LEU 41 HD13 LEU 41 31.814 17.731 8.896 291 HD21 LEU 41 HD21 LEU 41 29.269 17.174 11.625 292 HD22 LEU 41 HD22 LEU 41 29.805 15.522 11.929 293 HD23 LEU 41 HD23 LEU 41 29.021 15.927 10.402 294 H GLY 42 HN GLY 42 34.074 13.541 12.877 295 HA2 GLY 42 HA2 GLY 42 33.576 10.968 12.388 296 HA3 GLY 42 HA1 GLY 42 34.625 11.352 11.028 297 H THR 43 HN THR 43 35.854 13.405 13.052 298 HA THR 43 HA THR 43 37.470 11.492 14.612 299 HB THR 43 HB THR 43 38.741 12.014 12.582 300 HG1 THR 43 HG1 THR 43 39.711 13.445 14.829 301 HG21 THR 43 HG21 THR 43 37.518 14.299 12.362 302 HG22 THR 43 HG22 THR 43 39.206 14.201 11.863 303 HG23 THR 43 HG23 THR 43 38.789 14.903 13.425 304 H THR 44 HN THR 44 36.764 14.935 14.017 305 HA THR 44 HA THR 44 37.766 15.988 16.393 306 HB THR 44 HB THR 44 35.565 16.819 14.527 307 HG1 THR 44 HG1 THR 44 37.495 17.419 13.800 308 HG21 THR 44 HG21 THR 44 34.625 17.619 16.528 309 HG22 THR 44 HG22 THR 44 35.588 18.985 15.962 310 HG23 THR 44 HG23 THR 44 36.203 17.944 17.246 311 H GLY 45 HN GLY 45 34.852 14.190 15.764 312 HA2 GLY 45 HA2 GLY 45 34.130 12.992 17.901 313 HA3 GLY 45 HA1 GLY 45 33.937 14.622 18.540 314 H ASN 46 HN ASN 46 33.123 13.115 15.424 315 HA ASN 46 HA ASN 46 30.893 14.481 14.727 316 HB2 ASN 46 HB2 ASN 46 32.012 12.455 13.589 317 HB3 ASN 46 HB1 ASN 46 30.905 11.479 14.553 318 HD21 ASN 46 HD21 ASN 46 29.181 14.229 14.137 319 HD22 ASN 46 HD22 ASN 46 28.375 13.866 12.687 320 H GLY 47 HN GLY 47 30.688 11.423 16.562 321 HA2 GLY 47 HA2 GLY 47 28.530 12.564 18.187 322 HA3 GLY 47 HA1 GLY 47 28.163 11.126 17.238 323 H LEU 48 HN LEU 48 31.239 11.844 18.814 324 HA LEU 48 HA LEU 48 30.925 9.391 20.414 325 HB2 LEU 48 HB2 LEU 48 33.267 10.890 19.297 326 HB3 LEU 48 HB1 LEU 48 33.496 9.872 20.717 327 HG LEU 48 HG LEU 48 33.919 8.713 18.514 328 HD11 LEU 48 HD11 LEU 48 31.669 7.129 19.431 329 HD12 LEU 48 HD12 LEU 48 32.570 7.773 20.801 330 HD13 LEU 48 HD13 LEU 48 33.393 6.799 19.583 331 HD21 LEU 48 HD21 LEU 48 31.906 9.960 17.452 332 HD22 LEU 48 HD22 LEU 48 30.925 8.689 18.182 333 HD23 LEU 48 HD23 LEU 48 32.168 8.276 17.003 334 H VAL 49 HN VAL 49 30.887 12.773 20.656 335 HA VAL 49 HA VAL 49 31.738 12.774 23.466 336 HB VAL 49 HB VAL 49 31.647 15.216 23.280 337 HG11 VAL 49 HG11 VAL 49 33.007 14.137 20.805 338 HG12 VAL 49 HG12 VAL 49 33.622 13.807 22.425 339 HG13 VAL 49 HG13 VAL 49 33.525 15.469 21.840 340 HG21 VAL 49 HG21 VAL 49 31.330 15.723 20.570 341 HG22 VAL 49 HG22 VAL 49 30.116 16.023 21.815 342 HG23 VAL 49 HG23 VAL 49 30.085 14.516 20.898 343 H LEU 50 HN LEU 50 29.086 11.763 22.198 344 HA LEU 50 HA LEU 50 27.386 12.958 24.271 345 HB2 LEU 50 HB2 LEU 50 25.518 12.898 22.419 346 HB3 LEU 50 HB1 LEU 50 26.594 14.289 22.545 347 HG LEU 50 HG LEU 50 28.030 13.375 20.781 348 HD11 LEU 50 HD11 LEU 50 26.112 11.050 20.985 349 HD12 LEU 50 HD12 LEU 50 27.873 11.027 21.065 350 HD13 LEU 50 HD13 LEU 50 27.064 11.334 19.529 351 HD21 LEU 50 HD21 LEU 50 25.177 13.142 19.811 352 HD22 LEU 50 HD22 LEU 50 26.576 13.782 18.948 353 HD23 LEU 50 HD23 LEU 50 25.870 14.694 20.283 354 H TRP 51 HN TRP 51 28.713 10.287 23.124 355 HA TRP 51 HA TRP 51 26.318 8.587 23.385 356 HB2 TRP 51 HB2 TRP 51 27.407 7.948 21.427 357 HB3 TRP 51 HB1 TRP 51 29.010 8.217 22.112 358 HD1 TRP 51 HD1 TRP 51 26.016 6.002 23.199 359 HE1 TRP 51 HE1 TRP 51 26.918 3.640 23.701 360 HE3 TRP 51 HE3 TRP 51 30.957 6.692 22.111 361 HZ2 TRP 51 HZ2 TRP 51 29.405 2.228 23.649 362 HZ3 TRP 51 HZ3 TRP 51 32.569 4.824 22.345 363 HH2 TRP 51 HH2 TRP 51 31.799 2.596 23.113 364 H THR 52 HN THR 52 29.701 7.825 24.088 365 HA THR 52 HA THR 52 29.065 6.334 26.413 366 HB THR 52 HB THR 52 31.094 5.875 25.156 367 HG1 THR 52 HG1 THR 52 32.222 6.934 27.438 368 HG21 THR 52 HG21 THR 52 32.910 7.457 25.004 369 HG22 THR 52 HG22 THR 52 32.081 8.585 26.078 370 HG23 THR 52 HG23 THR 52 31.444 8.274 24.463 371 H VAL 53 HN VAL 53 30.054 9.671 25.887 372 HA VAL 53 HA VAL 53 30.629 10.333 28.578 373 HB VAL 53 HB VAL 53 29.662 12.072 26.296 374 HG11 VAL 53 HG11 VAL 53 30.746 12.713 29.047 375 HG12 VAL 53 HG12 VAL 53 29.240 13.271 28.318 376 HG13 VAL 53 HG13 VAL 53 30.787 13.875 27.721 377 HG21 VAL 53 HG21 VAL 53 32.406 11.378 27.386 378 HG22 VAL 53 HG22 VAL 53 32.112 12.685 26.238 379 HG23 VAL 53 HG23 VAL 53 31.778 11.015 25.778 380 H PHE 54 HN PHE 54 27.668 9.810 26.893 381 HA PHE 54 HA PHE 54 26.011 11.342 28.695 382 HB2 PHE 54 HB2 PHE 54 25.392 10.879 26.316 383 HB3 PHE 54 HB1 PHE 54 25.192 9.179 26.744 384 HD1 PHE 54 HD1 PHE 54 24.050 12.611 27.702 385 HD2 PHE 54 HD2 PHE 54 23.157 8.410 27.634 386 HE1 PHE 54 HE1 PHE 54 21.759 13.085 28.525 387 HE2 PHE 54 HE2 PHE 54 20.866 8.884 28.457 388 HZ PHE 54 HZ PHE 54 20.167 11.221 28.903 389 H ARG 55 HN ARG 55 27.546 8.321 28.809 390 HA ARG 55 HA ARG 55 25.966 7.592 31.182 391 HB2 ARG 55 HB2 ARG 55 25.978 5.214 30.460 392 HB3 ARG 55 HB1 ARG 55 25.040 6.244 29.377 393 HG2 ARG 55 HG2 ARG 55 27.691 6.323 28.410 394 HG3 ARG 55 HG1 ARG 55 27.358 4.629 28.777 395 HD2 ARG 55 HD2 ARG 55 25.720 6.462 27.008 396 HD3 ARG 55 HD1 ARG 55 26.654 5.058 26.500 397 HE ARG 55 HE ARG 55 24.032 5.035 27.731 398 HH11 ARG 55 HH21 ARG 55 26.964 3.312 27.089 399 HH12 ARG 55 HH22 ARG 55 26.238 1.747 27.236 400 HH21 ARG 55 HH11 ARG 55 23.074 2.986 27.926 401 HH22 ARG 55 HH12 ARG 55 24.035 1.562 27.709 402 H LYS 56 HN LYS 56 28.660 8.761 30.668 403 HA LYS 56 HA LYS 56 30.488 6.633 31.462 404 HB2 LYS 56 HB2 LYS 56 31.313 8.216 29.836 405 HB3 LYS 56 HB1 LYS 56 30.892 9.575 30.876 406 HG2 LYS 56 HG2 LYS 56 32.614 7.569 32.173 407 HG3 LYS 56 HG1 LYS 56 33.363 8.370 30.793 408 HD2 LYS 56 HD2 LYS 56 31.931 9.954 32.928 409 HD3 LYS 56 HD1 LYS 56 33.625 9.496 33.106 410 HE2 LYS 56 HE2 LYS 56 34.323 10.974 31.523 411 HE3 LYS 56 HE1 LYS 56 32.937 10.656 30.479 412 HZ1 LYS 56 HZ1 LYS 56 32.851 12.274 32.967 413 HZ2 LYS 56 HZ2 LYS 56 31.568 12.024 31.882 414 HZ3 LYS 56 HZ3 LYS 56 32.932 12.915 31.399 415 H LYS 57 HN LYS 57 29.308 9.746 32.736 416 HA LYS 57 HA LYS 57 30.637 9.692 35.195 417 HB2 LYS 57 HB2 LYS 57 28.879 11.238 35.971 418 HB3 LYS 57 HB1 LYS 57 29.460 11.676 34.365 419 HG2 LYS 57 HG2 LYS 57 27.341 11.559 33.619 420 HG3 LYS 57 HG1 LYS 57 27.359 9.828 33.961 421 HD2 LYS 57 HD2 LYS 57 25.493 10.818 35.153 422 HD3 LYS 57 HD1 LYS 57 26.719 10.352 36.331 423 HE2 LYS 57 HE2 LYS 57 26.770 12.476 37.071 424 HE3 LYS 57 HE1 LYS 57 27.365 12.982 35.489 425 HZ1 LYS 57 HZ1 LYS 57 24.532 12.447 35.581 426 HZ2 LYS 57 HZ2 LYS 57 25.370 13.757 34.898 427 HZ3 LYS 57 HZ3 LYS 57 25.019 13.744 36.560 428 H GLY 58 HN GLY 58 28.426 7.495 34.039 429 HA2 GLY 58 HA2 GLY 58 27.204 5.798 34.999 430 HA3 GLY 58 HA1 GLY 58 28.298 5.960 36.369 431 H HIS 59 HN HIS 59 27.727 7.347 38.103 432 HA HIS 59 HA HIS 59 25.282 8.818 38.161 433 HB2 HIS 59 HB2 HIS 59 24.975 6.060 38.532 434 HB3 HIS 59 HB1 HIS 59 24.916 6.749 40.154 435 HD2 HIS 59 HD2 HIS 59 23.327 8.230 36.805 436 HE1 HIS 59 HE1 HIS 59 20.343 7.981 39.781 437 HE2 HIS 59 HE2 HIS 59 20.833 8.721 37.402 438 H HIS 60 HN HIS 60 26.200 10.479 39.229 439 HA HIS 60 HA HIS 60 26.867 10.130 42.016 440 HB2 HIS 60 HB2 HIS 60 28.969 10.145 40.029 441 HB3 HIS 60 HB1 HIS 60 29.117 11.535 41.103 442 HD2 HIS 60 HD2 HIS 60 30.306 10.900 43.513 443 HE1 HIS 60 HE1 HIS 60 29.643 6.731 43.427 444 HE2 HIS 60 HE2 HIS 60 30.723 8.625 44.728 445 H HIS 61 HN HIS 61 27.738 12.480 39.473 446 HA HIS 61 HA HIS 61 27.264 14.716 39.242 447 HB2 HIS 61 HB2 HIS 61 24.867 13.534 39.631 448 HB3 HIS 61 HB1 HIS 61 24.902 14.607 41.030 449 HD2 HIS 61 HD2 HIS 61 26.571 17.068 39.329 450 HE1 HIS 61 HE1 HIS 61 23.019 17.118 37.049 451 HE2 HIS 61 HE2 HIS 61 25.121 18.419 37.630 452 H HIS 62 HN HIS 62 28.072 16.481 40.218 453 HA HIS 62 HA HIS 62 28.715 16.284 43.072 454 HB2 HIS 62 HB2 HIS 62 29.609 18.430 41.147 455 HB3 HIS 62 HB1 HIS 62 30.345 17.972 42.683 456 HD2 HIS 62 HD2 HIS 62 32.683 16.677 41.979 457 HE1 HIS 62 HE1 HIS 62 31.131 14.302 38.854 458 HE2 HIS 62 HE2 HIS 62 33.205 14.814 40.225 459 H HIS 63 HN HIS 63 28.884 18.831 43.891 460 HA HIS 63 HA HIS 63 26.383 20.218 43.290 461 HB2 HIS 63 HB2 HIS 63 26.909 19.762 46.184 462 HB3 HIS 63 HB1 HIS 63 25.377 19.969 45.336 463 HD2 HIS 63 HD2 HIS 63 24.566 17.555 43.843 464 HE1 HIS 63 HE1 HIS 63 26.982 15.001 46.181 465 HE2 HIS 63 HE2 HIS 63 25.093 15.080 44.486 466 H HIS 64 HN HIS 64 29.013 20.974 42.731 467 HA HIS 64 HA HIS 64 30.478 22.447 44.484 468 HB2 HIS 64 HB2 HIS 64 29.733 22.995 41.621 469 HB3 HIS 64 HB1 HIS 64 30.786 24.095 42.512 470 HD2 HIS 64 HD2 HIS 64 31.599 21.597 40.098 471 HE1 HIS 64 HE1 HIS 64 34.190 20.512 43.249 472 HE2 HIS 64 HE2 HIS 64 33.709 20.215 40.773 Start of MODEL 27 1 H1 MET 1 HT1 MET 1 74.264 26.029 3.280 2 H2 MET 1 HT2 MET 1 73.691 24.749 2.321 3 H3 MET 1 HT3 MET 1 74.230 26.186 1.591 4 HA MET 1 HA MET 1 76.226 25.016 3.272 5 HB2 MET 1 HB2 MET 1 75.565 23.469 0.772 6 HB3 MET 1 HB1 MET 1 76.604 22.999 2.117 7 HG2 MET 1 HG2 MET 1 74.266 23.331 3.440 8 HG3 MET 1 HG1 MET 1 73.650 22.840 1.863 9 HE1 MET 1 HE1 MET 1 76.275 20.940 0.907 10 HE2 MET 1 HE2 MET 1 74.557 21.003 0.525 11 HE3 MET 1 HE3 MET 1 75.264 19.506 1.128 12 H GLU 2 HN GLU 2 78.161 24.581 1.572 13 HA GLU 2 HA GLU 2 78.594 27.134 0.311 14 HB2 GLU 2 HB2 GLU 2 80.263 24.611 0.417 15 HB3 GLU 2 HB1 GLU 2 80.797 26.122 -0.322 16 HG2 GLU 2 HG2 GLU 2 79.841 25.935 2.543 17 HG3 GLU 2 HG1 GLU 2 81.536 25.785 2.083 18 H GLU 3 HN GLU 3 76.415 26.107 -0.920 19 HA GLU 3 HA GLU 3 76.668 24.455 -3.112 20 HB2 GLU 3 HB2 GLU 3 74.977 26.875 -2.575 21 HB3 GLU 3 HB1 GLU 3 74.920 26.095 -4.157 22 HG2 GLU 3 HG2 GLU 3 74.294 23.979 -3.160 23 HG3 GLU 3 HG1 GLU 3 74.529 24.626 -1.537 24 H GLY 4 HN GLY 4 76.784 25.029 -5.430 25 HA2 GLY 4 HA2 GLY 4 77.527 26.488 -7.183 26 HA3 GLY 4 HA1 GLY 4 78.487 27.367 -5.997 27 H GLY 5 HN GLY 5 78.503 23.921 -5.840 28 HA2 GLY 5 HA2 GLY 5 81.339 23.876 -6.494 29 HA3 GLY 5 HA1 GLY 5 80.392 22.539 -5.848 30 H ASP 6 HN ASP 6 82.266 22.830 -8.219 31 HA ASP 6 HA ASP 6 80.898 22.688 -10.647 32 HB2 ASP 6 HB2 ASP 6 83.537 22.332 -9.774 33 HB3 ASP 6 HB1 ASP 6 83.107 20.818 -10.568 34 H PHE 7 HN PHE 7 81.411 20.303 -11.856 35 HA PHE 7 HA PHE 7 80.544 18.206 -12.205 36 HB2 PHE 7 HB2 PHE 7 80.237 17.920 -9.223 37 HB3 PHE 7 HB1 PHE 7 80.584 16.672 -10.419 38 HD1 PHE 7 HD1 PHE 7 82.812 16.801 -11.690 39 HD2 PHE 7 HD2 PHE 7 81.992 19.065 -8.132 40 HE1 PHE 7 HE1 PHE 7 85.244 17.149 -11.351 41 HE2 PHE 7 HE2 PHE 7 84.423 19.413 -7.794 42 HZ PHE 7 HZ PHE 7 86.049 18.455 -9.403 43 H ASP 8 HN ASP 8 78.831 19.151 -9.225 44 HA ASP 8 HA ASP 8 76.321 18.211 -10.034 45 HB2 ASP 8 HB2 ASP 8 77.287 20.119 -7.950 46 HB3 ASP 8 HB1 ASP 8 75.559 20.062 -8.299 47 H ASN 9 HN ASN 9 76.238 18.963 -12.269 48 HA ASN 9 HA ASN 9 75.841 21.812 -12.714 49 HB2 ASN 9 HB2 ASN 9 75.383 21.002 -15.092 50 HB3 ASN 9 HB1 ASN 9 77.006 20.717 -14.465 51 HD21 ASN 9 HD21 ASN 9 73.809 19.043 -14.639 52 HD22 ASN 9 HD22 ASN 9 74.475 17.496 -14.859 53 H TYR 10 HN TYR 10 73.964 19.408 -11.500 54 HA TYR 10 HA TYR 10 71.706 19.204 -11.133 55 HB2 TYR 10 HB2 TYR 10 71.265 21.840 -12.509 56 HB3 TYR 10 HB1 TYR 10 70.391 21.140 -11.147 57 HD1 TYR 10 HD2 TYR 10 71.748 20.748 -8.959 58 HD2 TYR 10 HD1 TYR 10 73.008 23.365 -12.124 59 HE1 TYR 10 HE2 TYR 10 73.256 21.928 -7.382 60 HE2 TYR 10 HE1 TYR 10 74.517 24.545 -10.547 61 HH TYR 10 HH TYR 10 75.681 23.541 -8.021 62 H TYR 11 HN TYR 11 71.781 21.076 -14.169 63 HA TYR 11 HA TYR 11 70.973 20.609 -16.267 64 HB2 TYR 11 HB2 TYR 11 72.275 18.251 -15.386 65 HB3 TYR 11 HB1 TYR 11 70.778 17.750 -16.172 66 HD1 TYR 11 HD1 TYR 11 73.763 19.956 -16.626 67 HD2 TYR 11 HD2 TYR 11 70.596 17.757 -18.520 68 HE1 TYR 11 HE1 TYR 11 74.771 20.416 -18.844 69 HE2 TYR 11 HE2 TYR 11 71.604 18.217 -20.738 70 HH TYR 11 HH TYR 11 74.276 20.442 -21.117 71 H GLY 12 HN GLY 12 69.631 17.868 -14.419 72 HA2 GLY 12 HA2 GLY 12 67.090 17.945 -15.581 73 HA3 GLY 12 HA1 GLY 12 67.459 17.223 -14.017 74 H ALA 13 HN ALA 13 67.930 19.030 -12.280 75 HA ALA 13 HA ALA 13 66.786 20.459 -10.862 76 HB1 ALA 13 HB1 ALA 13 66.343 22.714 -12.223 77 HB2 ALA 13 HB2 ALA 13 67.396 21.911 -13.389 78 HB3 ALA 13 HB3 ALA 13 67.966 22.215 -11.747 79 H ASP 14 HN ASP 14 65.177 21.858 -13.624 80 HA ASP 14 HA ASP 14 62.627 21.820 -12.502 81 HB2 ASP 14 HB2 ASP 14 62.010 21.863 -15.115 82 HB3 ASP 14 HB1 ASP 14 62.669 23.263 -14.271 83 H ASN 15 HN ASN 15 64.124 19.531 -14.775 84 HA ASN 15 HA ASN 15 61.963 17.868 -15.271 85 HB2 ASN 15 HB2 ASN 15 64.910 17.278 -15.014 86 HB3 ASN 15 HB1 ASN 15 63.742 16.043 -15.477 87 HD21 ASN 15 HD21 ASN 15 65.955 17.690 -17.006 88 HD22 ASN 15 HD22 ASN 15 65.141 18.175 -18.414 89 H GLN 16 HN GLN 16 64.126 17.947 -12.480 90 HA GLN 16 HA GLN 16 62.609 15.755 -11.233 91 HB2 GLN 16 HB2 GLN 16 65.092 17.069 -10.135 92 HB3 GLN 16 HB1 GLN 16 64.433 15.480 -9.745 93 HG2 GLN 16 HG2 GLN 16 64.808 14.872 -12.196 94 HG3 GLN 16 HG1 GLN 16 65.749 16.357 -12.322 95 HE21 GLN 16 HE21 GLN 16 65.706 13.109 -10.928 96 HE22 GLN 16 HE22 GLN 16 67.314 13.130 -10.388 97 H SER 17 HN SER 17 61.261 18.194 -11.504 98 HA SER 17 HA SER 17 60.943 18.919 -8.669 99 HB2 SER 17 HB2 SER 17 61.113 20.915 -10.939 100 HB3 SER 17 HB1 SER 17 60.727 21.296 -9.263 101 HG SER 17 HG SER 17 62.837 20.100 -8.882 102 H GLU 18 HN GLU 18 58.854 19.255 -8.047 103 HA GLU 18 HA GLU 18 56.754 18.146 -9.497 104 HB2 GLU 18 HB2 GLU 18 56.575 20.289 -7.364 105 HB3 GLU 18 HB1 GLU 18 55.271 19.215 -7.869 106 HG2 GLU 18 HG2 GLU 18 56.579 17.262 -7.150 107 HG3 GLU 18 HG1 GLU 18 57.907 18.317 -6.673 108 H CYS 19 HN CYS 19 56.961 19.013 -11.639 109 HA CYS 19 HA CYS 19 56.542 21.824 -12.120 110 HB2 CYS 19 HB2 CYS 19 56.340 21.059 -14.518 111 HB3 CYS 19 HB1 CYS 19 57.853 20.619 -13.726 112 HG CYS 19 HG CYS 19 57.162 18.189 -13.688 113 H GLU 20 HN GLU 20 54.517 21.449 -10.581 114 HA GLU 20 HA GLU 20 52.220 21.271 -10.341 115 HB2 GLU 20 HB2 GLU 20 52.369 22.595 -13.061 116 HB3 GLU 20 HB1 GLU 20 51.005 22.657 -11.944 117 HG2 GLU 20 HG2 GLU 20 53.789 23.659 -11.286 118 HG3 GLU 20 HG1 GLU 20 52.468 24.691 -11.833 119 H TYR 21 HN TYR 21 53.197 18.843 -11.161 120 HA TYR 21 HA TYR 21 50.961 17.857 -12.781 121 HB2 TYR 21 HB2 TYR 21 52.231 16.859 -14.422 122 HB3 TYR 21 HB1 TYR 21 53.221 18.284 -14.110 123 HD1 TYR 21 HD2 TYR 21 54.584 17.749 -11.639 124 HD2 TYR 21 HD1 TYR 21 53.633 15.027 -14.823 125 HE1 TYR 21 HE2 TYR 21 56.474 16.294 -10.959 126 HE2 TYR 21 HE1 TYR 21 55.522 13.573 -14.143 127 HH TYR 21 HH TYR 21 57.497 13.581 -12.913 128 H THR 22 HN THR 22 51.976 17.770 -9.925 129 HA THR 22 HA THR 22 51.310 15.027 -9.427 130 HB THR 22 HB THR 22 53.774 14.964 -10.120 131 HG1 THR 22 HG1 THR 22 52.520 13.911 -7.921 132 HG21 THR 22 HG21 THR 22 54.238 16.041 -7.343 133 HG22 THR 22 HG22 THR 22 54.216 17.110 -8.747 134 HG23 THR 22 HG23 THR 22 55.407 15.814 -8.643 135 H ASP 23 HN ASP 23 52.617 18.080 -8.257 136 HA ASP 23 HA ASP 23 52.106 17.599 -5.491 137 HB2 ASP 23 HB2 ASP 23 53.708 19.286 -6.100 138 HB3 ASP 23 HB1 ASP 23 52.510 20.150 -7.062 139 H TRP 24 HN TRP 24 50.240 18.964 -8.144 140 HA TRP 24 HA TRP 24 48.026 19.602 -6.321 141 HB2 TRP 24 HB2 TRP 24 47.151 20.949 -8.017 142 HB3 TRP 24 HB1 TRP 24 48.891 21.143 -8.234 143 HD1 TRP 24 HD1 TRP 24 50.044 19.701 -10.215 144 HE1 TRP 24 HE1 TRP 24 49.066 18.845 -12.442 145 HE3 TRP 24 HE3 TRP 24 45.054 20.095 -9.201 146 HZ2 TRP 24 HZ2 TRP 24 46.508 18.389 -13.636 147 HZ3 TRP 24 HZ3 TRP 24 43.371 19.445 -10.899 148 HH2 TRP 24 HH2 TRP 24 44.092 18.592 -13.113 149 H LYS 25 HN LYS 25 48.724 17.677 -9.226 150 HA LYS 25 HA LYS 25 47.480 16.062 -10.293 151 HB2 LYS 25 HB2 LYS 25 48.661 14.847 -8.520 152 HB3 LYS 25 HB1 LYS 25 47.323 15.149 -7.411 153 HG2 LYS 25 HG2 LYS 25 46.107 13.468 -8.287 154 HG3 LYS 25 HG1 LYS 25 46.400 14.033 -9.931 155 HD2 LYS 25 HD2 LYS 25 48.470 12.518 -8.326 156 HD3 LYS 25 HD1 LYS 25 47.322 11.721 -9.401 157 HE2 LYS 25 HE2 LYS 25 48.498 12.313 -11.234 158 HE3 LYS 25 HE1 LYS 25 48.612 13.989 -10.700 159 HZ1 LYS 25 HZ1 LYS 25 50.756 13.534 -10.389 160 HZ2 LYS 25 HZ2 LYS 25 50.519 11.853 -10.456 161 HZ3 LYS 25 HZ3 LYS 25 50.266 12.694 -9.000 162 H SER 26 HN SER 26 45.614 15.677 -7.347 163 HA SER 26 HA SER 26 43.383 15.951 -6.887 164 HB2 SER 26 HB2 SER 26 43.124 17.841 -9.203 165 HB3 SER 26 HB1 SER 26 42.295 17.868 -7.650 166 HG SER 26 HG SER 26 44.294 18.402 -6.686 167 H SER 27 HN SER 27 42.801 13.863 -7.474 168 HA SER 27 HA SER 27 42.518 12.713 -9.931 169 HB2 SER 27 HB2 SER 27 42.059 11.389 -8.007 170 HB3 SER 27 HB1 SER 27 40.768 12.465 -7.484 171 HG SER 27 HG SER 27 39.465 11.653 -8.987 172 H GLY 28 HN GLY 28 39.797 14.312 -8.252 173 HA2 GLY 28 HA2 GLY 28 38.838 15.281 -10.870 174 HA3 GLY 28 HA1 GLY 28 37.741 14.410 -9.802 175 H ALA 29 HN ALA 29 39.968 16.188 -8.028 176 HA ALA 29 HA ALA 29 39.943 18.269 -7.015 177 HB1 ALA 29 HB1 ALA 29 38.805 20.032 -7.952 178 HB2 ALA 29 HB2 ALA 29 37.369 19.071 -8.299 179 HB3 ALA 29 HB3 ALA 29 38.798 18.924 -9.323 180 H LEU 30 HN LEU 30 39.163 16.213 -5.582 181 HA LEU 30 HA LEU 30 36.979 17.309 -3.971 182 HB2 LEU 30 HB2 LEU 30 35.942 15.068 -3.718 183 HB3 LEU 30 HB1 LEU 30 35.821 15.687 -5.360 184 HG LEU 30 HG LEU 30 37.987 13.777 -4.420 185 HD11 LEU 30 HD11 LEU 30 36.267 12.514 -6.257 186 HD12 LEU 30 HD12 LEU 30 35.213 13.309 -5.087 187 HD13 LEU 30 HD13 LEU 30 36.432 12.159 -4.538 188 HD21 LEU 30 HD21 LEU 30 38.906 14.563 -6.362 189 HD22 LEU 30 HD22 LEU 30 37.369 15.175 -6.967 190 HD23 LEU 30 HD23 LEU 30 37.755 13.464 -7.116 191 H ILE 31 HN ILE 31 39.898 17.107 -3.721 192 HA ILE 31 HA ILE 31 40.417 15.071 -1.740 193 HB ILE 31 HB ILE 31 42.270 17.371 -1.954 194 HG12 ILE 31 HG12 ILE 31 41.595 17.261 -4.285 195 HG13 ILE 31 HG11 ILE 31 43.166 16.484 -4.131 196 HG21 ILE 31 HG21 ILE 31 43.915 15.605 -1.903 197 HG22 ILE 31 HG22 ILE 31 42.687 14.385 -2.238 198 HG23 ILE 31 HG23 ILE 31 42.687 15.236 -0.693 199 HD11 ILE 31 HD11 ILE 31 40.574 15.319 -4.893 200 HD12 ILE 31 HD12 ILE 31 41.455 14.371 -3.697 201 HD13 ILE 31 HD13 ILE 31 42.206 14.757 -5.243 202 HA PRO 32 HA PRO 32 40.103 18.757 1.218 203 HB2 PRO 32 HB2 PRO 32 39.053 21.110 0.323 204 HB3 PRO 32 HB1 PRO 32 40.771 20.698 0.181 205 HG2 PRO 32 HG2 PRO 32 38.707 20.837 -1.889 206 HG3 PRO 32 HG1 PRO 32 40.466 20.921 -2.039 207 HD2 PRO 32 HD2 PRO 32 38.764 18.661 -2.549 208 HD3 PRO 32 HD1 PRO 32 40.533 18.741 -2.679 209 H ALA 33 HN ALA 33 37.796 17.290 -0.463 210 HA ALA 33 HA ALA 33 35.551 18.390 1.120 211 HB1 ALA 33 HB1 ALA 33 35.303 18.533 -1.363 212 HB2 ALA 33 HB2 ALA 33 34.061 17.546 -0.592 213 HB3 ALA 33 HB3 ALA 33 35.406 16.774 -1.435 214 H ILE 34 HN ILE 34 37.408 15.567 0.282 215 HA ILE 34 HA ILE 34 35.660 13.873 1.952 216 HB ILE 34 HB ILE 34 37.773 13.157 -0.091 217 HG12 ILE 34 HG12 ILE 34 34.843 12.441 -0.113 218 HG13 ILE 34 HG11 ILE 34 35.401 13.984 -0.758 219 HG21 ILE 34 HG21 ILE 34 36.162 11.480 1.839 220 HG22 ILE 34 HG22 ILE 34 37.907 11.472 1.582 221 HG23 ILE 34 HG23 ILE 34 36.831 10.806 0.353 222 HD11 ILE 34 HD11 ILE 34 36.860 12.861 -2.338 223 HD12 ILE 34 HD12 ILE 34 35.241 12.179 -2.496 224 HD13 ILE 34 HD13 ILE 34 36.491 11.291 -1.624 225 H TYR 35 HN TYR 35 39.095 14.595 1.339 226 HA TYR 35 HA TYR 35 40.117 13.170 3.553 227 HB2 TYR 35 HB2 TYR 35 41.364 14.149 1.512 228 HB3 TYR 35 HB1 TYR 35 41.404 15.650 2.436 229 HD1 TYR 35 HD2 TYR 35 42.539 12.140 2.313 230 HD2 TYR 35 HD1 TYR 35 42.728 15.853 4.464 231 HE1 TYR 35 HE2 TYR 35 44.461 11.283 3.624 232 HE2 TYR 35 HE1 TYR 35 44.650 14.996 5.776 233 HH TYR 35 HH TYR 35 45.505 12.622 6.443 234 H MET 36 HN MET 36 38.546 16.238 3.286 235 HA MET 36 HA MET 36 39.476 17.127 5.913 236 HB2 MET 36 HB2 MET 36 37.730 18.393 3.797 237 HB3 MET 36 HB1 MET 36 37.996 19.120 5.383 238 HG2 MET 36 HG2 MET 36 40.372 19.267 5.000 239 HG3 MET 36 HG1 MET 36 40.244 18.317 3.519 240 HE1 MET 36 HE1 MET 36 39.110 21.184 5.493 241 HE2 MET 36 HE2 MET 36 38.776 22.523 4.398 242 HE3 MET 36 HE3 MET 36 40.443 22.085 4.759 243 H LEU 37 HN LEU 37 36.371 16.456 4.286 244 HA LEU 37 HA LEU 37 34.874 16.574 6.733 245 HB2 LEU 37 HB2 LEU 37 34.028 15.325 4.112 246 HB3 LEU 37 HB1 LEU 37 32.984 15.932 5.397 247 HG LEU 37 HG LEU 37 34.882 17.603 3.721 248 HD11 LEU 37 HD11 LEU 37 32.975 18.428 2.600 249 HD12 LEU 37 HD12 LEU 37 31.873 17.799 3.825 250 HD13 LEU 37 HD13 LEU 37 32.674 16.694 2.709 251 HD21 LEU 37 HD21 LEU 37 33.166 18.165 6.124 252 HD22 LEU 37 HD22 LEU 37 33.423 19.435 4.929 253 HD23 LEU 37 HD23 LEU 37 34.801 18.725 5.770 254 H VAL 38 HN VAL 38 37.120 14.737 6.782 255 HA VAL 38 HA VAL 38 35.640 12.287 7.483 256 HB VAL 38 HB VAL 38 38.094 12.492 5.745 257 HG11 VAL 38 HG11 VAL 38 38.785 10.864 7.308 258 HG12 VAL 38 HG12 VAL 38 38.052 9.913 6.016 259 HG13 VAL 38 HG13 VAL 38 37.152 10.227 7.500 260 HG21 VAL 38 HG21 VAL 38 35.660 10.729 5.438 261 HG22 VAL 38 HG22 VAL 38 36.806 11.239 4.198 262 HG23 VAL 38 HG23 VAL 38 35.660 12.399 4.869 263 H PHE 39 HN PHE 39 38.038 14.623 8.155 264 HA PHE 39 HA PHE 39 39.149 13.015 10.362 265 HB2 PHE 39 HB2 PHE 39 40.890 13.915 9.009 266 HB3 PHE 39 HB1 PHE 39 40.125 15.504 8.961 267 HD1 PHE 39 HD1 PHE 39 41.154 13.016 11.584 268 HD2 PHE 39 HD2 PHE 39 41.107 17.122 10.322 269 HE1 PHE 39 HE1 PHE 39 42.383 13.662 13.639 270 HE2 PHE 39 HE2 PHE 39 42.335 17.768 12.376 271 HZ PHE 39 HZ PHE 39 42.973 16.038 14.035 272 H LEU 40 HN LEU 40 38.145 16.387 9.736 273 HA LEU 40 HA LEU 40 37.650 16.801 12.576 274 HB2 LEU 40 HB2 LEU 40 37.113 19.114 11.890 275 HB3 LEU 40 HB1 LEU 40 38.688 18.600 11.284 276 HG LEU 40 HG LEU 40 36.916 17.795 9.291 277 HD11 LEU 40 HD11 LEU 40 36.182 20.564 10.294 278 HD12 LEU 40 HD12 LEU 40 35.137 19.144 10.342 279 HD13 LEU 40 HD13 LEU 40 35.615 19.835 8.790 280 HD21 LEU 40 HD21 LEU 40 37.928 19.751 8.052 281 HD22 LEU 40 HD22 LEU 40 39.110 18.729 8.867 282 HD23 LEU 40 HD23 LEU 40 38.641 20.274 9.577 283 H LEU 41 HN LEU 41 35.984 15.135 10.451 284 HA LEU 41 HA LEU 41 33.398 15.956 11.582 285 HB2 LEU 41 HB2 LEU 41 33.636 16.970 9.303 286 HB3 LEU 41 HB1 LEU 41 33.810 15.346 8.645 287 HG LEU 41 HG LEU 41 31.580 14.752 9.601 288 HD11 LEU 41 HD11 LEU 41 31.815 17.554 10.613 289 HD12 LEU 41 HD12 LEU 41 31.070 16.145 11.367 290 HD13 LEU 41 HD13 LEU 41 30.223 17.009 10.085 291 HD21 LEU 41 HD21 LEU 41 31.761 17.119 7.720 292 HD22 LEU 41 HD22 LEU 41 30.262 16.240 8.021 293 HD23 LEU 41 HD23 LEU 41 31.638 15.412 7.291 294 H GLY 42 HN GLY 42 35.339 13.537 9.900 295 HA2 GLY 42 HA2 GLY 42 33.685 11.372 9.730 296 HA3 GLY 42 HA1 GLY 42 35.384 11.239 10.169 297 H THR 43 HN THR 43 35.371 12.506 12.648 298 HA THR 43 HA THR 43 33.368 11.160 14.297 299 HB THR 43 HB THR 43 35.140 9.473 14.045 300 HG1 THR 43 HG1 THR 43 34.359 10.630 16.353 301 HG21 THR 43 HG21 THR 43 37.020 11.378 15.427 302 HG22 THR 43 HG22 THR 43 36.913 11.327 13.668 303 HG23 THR 43 HG23 THR 43 37.399 9.888 14.564 304 H THR 44 HN THR 44 36.367 13.078 14.275 305 HA THR 44 HA THR 44 36.106 14.235 16.812 306 HB THR 44 HB THR 44 37.422 15.195 14.273 307 HG1 THR 44 HG1 THR 44 38.969 14.045 15.059 308 HG21 THR 44 HG21 THR 44 38.574 16.822 15.922 309 HG22 THR 44 HG22 THR 44 37.179 16.534 16.962 310 HG23 THR 44 HG23 THR 44 36.954 17.235 15.359 311 H GLY 45 HN GLY 45 34.176 14.627 14.059 312 HA2 GLY 45 HA2 GLY 45 33.398 17.280 14.052 313 HA3 GLY 45 HA1 GLY 45 32.321 15.940 13.668 314 H ASN 46 HN ASN 46 32.917 14.912 16.502 315 HA ASN 46 HA ASN 46 31.333 16.854 18.049 316 HB2 ASN 46 HB2 ASN 46 29.603 15.435 18.470 317 HB3 ASN 46 HB1 ASN 46 30.086 14.740 16.924 318 HD21 ASN 46 HD21 ASN 46 31.945 12.989 17.201 319 HD22 ASN 46 HD22 ASN 46 31.743 11.918 18.502 320 H GLY 47 HN GLY 47 34.165 15.573 17.898 321 HA2 GLY 47 HA2 GLY 47 34.378 14.321 20.522 322 HA3 GLY 47 HA1 GLY 47 35.686 14.562 19.367 323 H LEU 48 HN LEU 48 33.770 17.327 19.851 324 HA LEU 48 HA LEU 48 35.952 18.612 21.316 325 HB2 LEU 48 HB2 LEU 48 33.579 19.600 19.756 326 HB3 LEU 48 HB1 LEU 48 34.436 20.680 20.853 327 HG LEU 48 HG LEU 48 35.262 20.744 18.462 328 HD11 LEU 48 HD11 LEU 48 37.260 21.381 19.291 329 HD12 LEU 48 HD12 LEU 48 37.654 19.731 19.773 330 HD13 LEU 48 HD13 LEU 48 36.729 20.769 20.856 331 HD21 LEU 48 HD21 LEU 48 36.426 18.880 17.546 332 HD22 LEU 48 HD22 LEU 48 34.940 18.210 18.219 333 HD23 LEU 48 HD23 LEU 48 36.460 18.042 19.096 334 H VAL 49 HN VAL 49 33.215 16.960 22.100 335 HA VAL 49 HA VAL 49 32.551 18.676 24.403 336 HB VAL 49 HB VAL 49 31.097 16.349 23.131 337 HG11 VAL 49 HG11 VAL 49 30.707 17.792 25.737 338 HG12 VAL 49 HG12 VAL 49 30.544 16.072 25.382 339 HG13 VAL 49 HG13 VAL 49 29.300 17.204 24.853 340 HG21 VAL 49 HG21 VAL 49 29.692 18.879 23.505 341 HG22 VAL 49 HG22 VAL 49 29.908 17.930 22.035 342 HG23 VAL 49 HG23 VAL 49 31.150 19.078 22.532 343 H LEU 50 HN LEU 50 34.518 16.121 23.627 344 HA LEU 50 HA LEU 50 34.602 15.246 26.440 345 HB2 LEU 50 HB2 LEU 50 35.193 12.918 25.396 346 HB3 LEU 50 HB1 LEU 50 33.502 13.397 25.553 347 HG LEU 50 HG LEU 50 34.877 14.233 23.054 348 HD11 LEU 50 HD11 LEU 50 34.364 11.371 23.832 349 HD12 LEU 50 HD12 LEU 50 35.755 12.058 22.994 350 HD13 LEU 50 HD13 LEU 50 34.219 11.872 22.147 351 HD21 LEU 50 HD21 LEU 50 32.717 14.019 22.153 352 HD22 LEU 50 HD22 LEU 50 32.387 14.511 23.813 353 HD23 LEU 50 HD23 LEU 50 32.235 12.817 23.349 354 H TRP 51 HN TRP 51 36.198 16.879 24.267 355 HA TRP 51 HA TRP 51 38.785 15.510 24.557 356 HB2 TRP 51 HB2 TRP 51 38.425 16.159 22.308 357 HB3 TRP 51 HB1 TRP 51 37.818 17.746 22.779 358 HD1 TRP 51 HD1 TRP 51 41.086 15.800 23.536 359 HE1 TRP 51 HE1 TRP 51 43.070 17.408 23.177 360 HE3 TRP 51 HE3 TRP 51 38.567 20.002 22.097 361 HZ2 TRP 51 HZ2 TRP 51 43.527 20.117 22.385 362 HZ3 TRP 51 HZ3 TRP 51 39.800 22.080 21.546 363 HH2 TRP 51 HH2 TRP 51 42.274 22.142 21.689 364 H THR 52 HN THR 52 38.223 18.980 24.294 365 HA THR 52 HA THR 52 40.182 19.664 26.194 366 HB THR 52 HB THR 52 39.363 21.222 24.464 367 HG1 THR 52 HG1 THR 52 39.862 22.790 25.757 368 HG21 THR 52 HG21 THR 52 36.860 20.396 25.273 369 HG22 THR 52 HG22 THR 52 37.182 21.788 24.240 370 HG23 THR 52 HG23 THR 52 36.972 22.008 25.977 371 H VAL 53 HN VAL 53 36.766 18.963 26.504 372 HA VAL 53 HA VAL 53 36.322 20.050 29.068 373 HB VAL 53 HB VAL 53 35.029 17.768 27.571 374 HG11 VAL 53 HG11 VAL 53 33.208 18.341 29.446 375 HG12 VAL 53 HG12 VAL 53 34.657 18.729 30.374 376 HG13 VAL 53 HG13 VAL 53 34.446 17.112 29.705 377 HG21 VAL 53 HG21 VAL 53 34.075 20.553 28.315 378 HG22 VAL 53 HG22 VAL 53 33.208 19.386 27.315 379 HG23 VAL 53 HG23 VAL 53 34.714 20.099 26.735 380 H PHE 54 HN PHE 54 37.539 16.900 28.010 381 HA PHE 54 HA PHE 54 37.712 15.883 30.717 382 HB2 PHE 54 HB2 PHE 54 37.558 14.701 28.236 383 HB3 PHE 54 HB1 PHE 54 39.256 14.483 28.658 384 HD1 PHE 54 HD2 PHE 54 35.791 14.043 29.989 385 HD2 PHE 54 HD1 PHE 54 39.908 12.837 30.216 386 HE1 PHE 54 HE2 PHE 54 35.171 12.221 31.552 387 HE2 PHE 54 HE1 PHE 54 39.287 11.016 31.779 388 HZ PHE 54 HZ PHE 54 36.920 10.707 32.447 389 H ARG 55 HN ARG 55 39.171 18.358 30.028 390 HA ARG 55 HA ARG 55 41.833 17.471 30.919 391 HB2 ARG 55 HB2 ARG 55 41.200 19.243 28.571 392 HB3 ARG 55 HB1 ARG 55 42.736 19.382 29.428 393 HG2 ARG 55 HG2 ARG 55 43.437 17.252 28.804 394 HG3 ARG 55 HG1 ARG 55 41.789 16.670 28.565 395 HD2 ARG 55 HD2 ARG 55 41.569 17.793 26.496 396 HD3 ARG 55 HD1 ARG 55 42.950 18.837 26.819 397 HE ARG 55 HE ARG 55 43.034 16.202 25.679 398 HH11 ARG 55 HH21 ARG 55 44.695 18.492 27.672 399 HH12 ARG 55 HH22 ARG 55 46.270 17.860 27.322 400 HH21 ARG 55 HH11 ARG 55 45.095 15.368 25.217 401 HH22 ARG 55 HH12 ARG 55 46.497 16.091 25.933 402 H LYS 56 HN LYS 56 39.395 19.986 30.676 403 HA LYS 56 HA LYS 56 40.821 21.843 32.366 404 HB2 LYS 56 HB2 LYS 56 38.772 23.177 32.253 405 HB3 LYS 56 HB1 LYS 56 39.227 22.618 30.643 406 HG2 LYS 56 HG2 LYS 56 37.156 21.748 30.458 407 HG3 LYS 56 HG1 LYS 56 37.621 20.568 31.683 408 HD2 LYS 56 HD2 LYS 56 35.619 21.641 32.474 409 HD3 LYS 56 HD1 LYS 56 36.955 22.275 33.435 410 HE2 LYS 56 HE2 LYS 56 36.829 23.953 31.192 411 HE3 LYS 56 HE1 LYS 56 35.148 23.692 31.659 412 HZ1 LYS 56 HZ1 LYS 56 35.629 25.352 33.086 413 HZ2 LYS 56 HZ2 LYS 56 37.295 25.024 33.103 414 HZ3 LYS 56 HZ3 LYS 56 36.232 24.084 34.037 415 H LYS 57 HN LYS 57 39.392 18.968 33.010 416 HA LYS 57 HA LYS 57 37.702 19.362 35.187 417 HB2 LYS 57 HB2 LYS 57 38.392 17.175 33.967 418 HB3 LYS 57 HB1 LYS 57 39.705 17.121 35.143 419 HG2 LYS 57 HG2 LYS 57 37.890 17.465 36.934 420 HG3 LYS 57 HG1 LYS 57 36.732 17.063 35.665 421 HD2 LYS 57 HD2 LYS 57 38.314 14.996 35.274 422 HD3 LYS 57 HD1 LYS 57 38.830 15.329 36.928 423 HE2 LYS 57 HE2 LYS 57 37.052 13.930 37.378 424 HE3 LYS 57 HE1 LYS 57 36.191 15.467 37.321 425 HZ1 LYS 57 HZ1 LYS 57 36.580 13.853 34.883 426 HZ2 LYS 57 HZ2 LYS 57 35.417 15.052 35.192 427 HZ3 LYS 57 HZ3 LYS 57 35.295 13.533 35.941 428 H GLY 58 HN GLY 58 41.072 19.943 34.909 429 HA2 GLY 58 HA2 GLY 58 42.253 21.264 36.506 430 HA3 GLY 58 HA1 GLY 58 41.180 20.656 37.762 431 H HIS 59 HN HIS 59 41.277 18.049 37.731 432 HA HIS 59 HA HIS 59 44.095 17.207 37.576 433 HB2 HIS 59 HB2 HIS 59 43.606 15.989 39.821 434 HB3 HIS 59 HB1 HIS 59 44.003 17.707 39.859 435 HD2 HIS 59 HD2 HIS 59 40.374 16.775 38.765 436 HE1 HIS 59 HE1 HIS 59 40.171 18.291 42.700 437 HE2 HIS 59 HE2 HIS 59 38.797 17.565 40.691 438 H HIS 60 HN HIS 60 41.878 15.264 39.325 439 HA HIS 60 HA HIS 60 40.861 13.786 37.068 440 HB2 HIS 60 HB2 HIS 60 42.049 11.645 38.059 441 HB3 HIS 60 HB1 HIS 60 42.876 12.666 36.882 442 HD2 HIS 60 HD2 HIS 60 44.852 14.447 38.059 443 HE1 HIS 60 HE1 HIS 60 45.004 12.371 41.733 444 HE2 HIS 60 HE2 HIS 60 46.141 14.141 40.310 445 H HIS 61 HN HIS 61 41.739 12.111 39.977 446 HA HIS 61 HA HIS 61 38.900 11.942 40.705 447 HB2 HIS 61 HB2 HIS 61 41.219 10.377 41.851 448 HB3 HIS 61 HB1 HIS 61 39.501 10.007 41.995 449 HD2 HIS 61 HD2 HIS 61 38.742 10.376 38.756 450 HE1 HIS 61 HE1 HIS 61 41.631 7.352 38.184 451 HE2 HIS 61 HE2 HIS 61 39.678 8.574 37.116 452 H HIS 62 HN HIS 62 38.223 12.218 42.899 453 HA HIS 62 HA HIS 62 39.967 13.287 44.898 454 HB2 HIS 62 HB2 HIS 62 38.715 15.138 43.032 455 HB3 HIS 62 HB1 HIS 62 38.240 15.459 44.700 456 HD2 HIS 62 HD2 HIS 62 40.464 16.050 46.466 457 HE1 HIS 62 HE1 HIS 62 43.220 16.687 43.331 458 HE2 HIS 62 HE2 HIS 62 42.828 16.955 45.826 459 H HIS 63 HN HIS 63 38.435 14.438 46.650 460 HA HIS 63 HA HIS 63 35.771 13.336 46.800 461 HB2 HIS 63 HB2 HIS 63 37.301 11.413 47.432 462 HB3 HIS 63 HB1 HIS 63 37.778 12.364 48.838 463 HD2 HIS 63 HD2 HIS 63 34.091 11.748 47.435 464 HE1 HIS 63 HE1 HIS 63 34.227 10.708 51.526 465 HE2 HIS 63 HE2 HIS 63 32.716 10.919 49.495 466 H HIS 64 HN HIS 64 36.096 15.880 46.839 467 HA HIS 64 HA HIS 64 36.964 17.342 48.971 468 HB2 HIS 64 HB2 HIS 64 35.130 17.738 46.843 469 HB3 HIS 64 HB1 HIS 64 34.341 18.295 48.318 470 HD2 HIS 64 HD2 HIS 64 37.360 19.281 46.035 471 HE1 HIS 64 HE1 HIS 64 37.138 22.103 49.168 472 HE2 HIS 64 HE2 HIS 64 38.269 21.547 46.963 Start of MODEL 28 1 H1 MET 1 HT1 MET 1 45.076 -18.954 7.560 2 H2 MET 1 HT2 MET 1 45.805 -19.987 6.423 3 H3 MET 1 HT3 MET 1 44.354 -19.188 6.043 4 HA MET 1 HA MET 1 46.804 -17.680 6.706 5 HB2 MET 1 HB2 MET 1 47.419 -19.144 4.862 6 HB3 MET 1 HB1 MET 1 45.928 -18.747 4.007 7 HG2 MET 1 HG2 MET 1 46.760 -16.785 3.235 8 HG3 MET 1 HG1 MET 1 47.490 -16.386 4.790 9 HE1 MET 1 HE1 MET 1 48.030 -19.671 2.568 10 HE2 MET 1 HE2 MET 1 49.213 -19.004 1.447 11 HE3 MET 1 HE3 MET 1 47.610 -18.282 1.557 12 H GLU 2 HN GLU 2 44.987 -16.450 7.747 13 HA GLU 2 HA GLU 2 43.297 -15.010 5.815 14 HB2 GLU 2 HB2 GLU 2 43.203 -15.231 8.830 15 HB3 GLU 2 HB1 GLU 2 42.158 -14.159 7.896 16 HG2 GLU 2 HG2 GLU 2 42.360 -17.133 7.372 17 HG3 GLU 2 HG1 GLU 2 41.155 -16.426 8.446 18 H GLU 3 HN GLU 3 46.016 -14.393 5.727 19 HA GLU 3 HA GLU 3 46.905 -12.298 7.331 20 HB2 GLU 3 HB2 GLU 3 47.418 -12.870 4.406 21 HB3 GLU 3 HB1 GLU 3 48.292 -11.648 5.333 22 HG2 GLU 3 HG2 GLU 3 49.144 -13.314 6.858 23 HG3 GLU 3 HG1 GLU 3 48.122 -14.560 6.146 24 H GLY 4 HN GLY 4 46.740 -10.072 7.239 25 HA2 GLY 4 HA2 GLY 4 44.277 -9.016 6.228 26 HA3 GLY 4 HA1 GLY 4 45.561 -8.098 7.012 27 H GLY 5 HN GLY 5 47.549 -9.190 5.051 28 HA2 GLY 5 HA2 GLY 5 46.861 -8.471 2.413 29 HA3 GLY 5 HA1 GLY 5 47.561 -7.067 3.215 30 H ASP 6 HN ASP 6 48.205 -9.982 1.597 31 HA ASP 6 HA ASP 6 50.698 -10.745 2.617 32 HB2 ASP 6 HB2 ASP 6 49.067 -11.495 0.473 33 HB3 ASP 6 HB1 ASP 6 50.586 -10.993 -0.269 34 H PHE 7 HN PHE 7 49.865 -7.805 1.335 35 HA PHE 7 HA PHE 7 52.042 -7.119 -0.307 36 HB2 PHE 7 HB2 PHE 7 49.782 -5.835 0.592 37 HB3 PHE 7 HB1 PHE 7 51.068 -4.958 1.419 38 HD1 PHE 7 HD2 PHE 7 53.301 -5.010 -0.407 39 HD2 PHE 7 HD1 PHE 7 49.116 -4.584 -1.275 40 HE1 PHE 7 HE2 PHE 7 53.859 -3.827 -2.515 41 HE2 PHE 7 HE1 PHE 7 49.674 -3.401 -3.382 42 HZ PHE 7 HZ PHE 7 52.044 -3.022 -4.002 43 H ASP 8 HN ASP 8 51.577 -6.682 3.200 44 HA ASP 8 HA ASP 8 54.020 -5.455 3.772 45 HB2 ASP 8 HB2 ASP 8 52.317 -7.309 5.446 46 HB3 ASP 8 HB1 ASP 8 53.700 -6.415 6.074 47 H ASN 9 HN ASN 9 56.027 -6.156 3.470 48 HA ASN 9 HA ASN 9 56.803 -8.840 4.221 49 HB2 ASN 9 HB2 ASN 9 56.188 -9.518 2.076 50 HB3 ASN 9 HB1 ASN 9 56.655 -7.981 1.349 51 HD21 ASN 9 HD21 ASN 9 59.115 -7.514 1.436 52 HD22 ASN 9 HD22 ASN 9 60.158 -8.840 1.248 53 H TYR 10 HN TYR 10 57.732 -5.858 2.525 54 HA TYR 10 HA TYR 10 60.512 -6.167 3.340 55 HB2 TYR 10 HB2 TYR 10 59.013 -4.159 1.669 56 HB3 TYR 10 HB1 TYR 10 60.670 -3.859 2.196 57 HD1 TYR 10 HD1 TYR 10 62.502 -5.419 1.526 58 HD2 TYR 10 HD2 TYR 10 58.516 -5.775 -0.036 59 HE1 TYR 10 HE1 TYR 10 63.347 -6.866 -0.302 60 HE2 TYR 10 HE2 TYR 10 59.361 -7.222 -1.864 61 HH TYR 10 HH TYR 10 61.227 -7.941 -2.923 62 H TYR 11 HN TYR 11 57.692 -4.212 4.145 63 HA TYR 11 HA TYR 11 57.233 -2.917 5.988 64 HB2 TYR 11 HB2 TYR 11 58.867 -4.888 6.967 65 HB3 TYR 11 HB1 TYR 11 59.755 -3.430 7.407 66 HD1 TYR 11 HD2 TYR 11 57.686 -1.455 7.901 67 HD2 TYR 11 HD1 TYR 11 57.739 -5.637 8.883 68 HE1 TYR 11 HE2 TYR 11 56.093 -1.041 9.755 69 HE2 TYR 11 HE1 TYR 11 56.146 -5.223 10.737 70 HH TYR 11 HH TYR 11 55.626 -2.869 12.220 71 H GLY 12 HN GLY 12 60.793 -2.798 5.736 72 HA2 GLY 12 HA2 GLY 12 60.688 0.125 5.833 73 HA3 GLY 12 HA1 GLY 12 62.134 -0.872 5.957 74 H ALA 13 HN ALA 13 59.545 -0.172 3.600 75 HA ALA 13 HA ALA 13 61.622 0.174 1.535 76 HB1 ALA 13 HB1 ALA 13 59.547 -1.872 1.642 77 HB2 ALA 13 HB2 ALA 13 60.950 -1.749 0.580 78 HB3 ALA 13 HB3 ALA 13 59.457 -0.903 0.171 79 H ASP 14 HN ASP 14 58.326 0.775 2.633 80 HA ASP 14 HA ASP 14 57.381 2.428 0.620 81 HB2 ASP 14 HB2 ASP 14 56.281 1.606 2.858 82 HB3 ASP 14 HB1 ASP 14 56.875 3.142 3.486 83 H ASN 15 HN ASN 15 59.907 3.001 2.898 84 HA ASN 15 HA ASN 15 59.885 5.823 2.976 85 HB2 ASN 15 HB2 ASN 15 61.759 3.666 3.668 86 HB3 ASN 15 HB1 ASN 15 62.539 5.175 3.197 87 HD21 ASN 15 HD21 ASN 15 59.462 4.576 4.986 88 HD22 ASN 15 HD22 ASN 15 59.908 5.496 6.341 89 H GLN 16 HN GLN 16 61.792 3.592 0.943 90 HA GLN 16 HA GLN 16 62.528 5.829 -0.803 91 HB2 GLN 16 HB2 GLN 16 63.407 3.038 -1.365 92 HB3 GLN 16 HB1 GLN 16 64.301 4.552 -1.510 93 HG2 GLN 16 HG2 GLN 16 64.228 4.679 1.040 94 HG3 GLN 16 HG1 GLN 16 63.668 3.008 1.011 95 HE21 GLN 16 HE21 GLN 16 66.470 5.043 0.758 96 HE22 GLN 16 HE22 GLN 16 67.587 3.811 0.418 97 H SER 17 HN SER 17 59.818 5.226 -0.873 98 HA SER 17 HA SER 17 59.553 4.325 -3.653 99 HB2 SER 17 HB2 SER 17 59.013 2.511 -1.770 100 HB3 SER 17 HB1 SER 17 57.476 3.369 -1.745 101 HG SER 17 HG SER 17 57.830 1.547 -3.320 102 H GLU 18 HN GLU 18 56.754 4.375 -3.730 103 HA GLU 18 HA GLU 18 56.216 7.080 -4.172 104 HB2 GLU 18 HB2 GLU 18 53.786 6.336 -4.131 105 HB3 GLU 18 HB1 GLU 18 54.835 5.458 -5.244 106 HG2 GLU 18 HG2 GLU 18 54.846 4.266 -2.585 107 HG3 GLU 18 HG1 GLU 18 53.222 4.327 -3.267 108 H CYS 19 HN CYS 19 57.005 8.132 -2.245 109 HA CYS 19 HA CYS 19 54.938 8.257 -0.152 110 HB2 CYS 19 HB2 CYS 19 57.210 6.905 0.350 111 HB3 CYS 19 HB1 CYS 19 57.754 8.535 0.744 112 HG CYS 19 HG CYS 19 55.396 7.072 2.176 113 H GLU 20 HN GLU 20 55.515 9.970 -2.423 114 HA GLU 20 HA GLU 20 55.964 12.466 -0.942 115 HB2 GLU 20 HB2 GLU 20 57.145 12.833 -3.487 116 HB3 GLU 20 HB1 GLU 20 57.946 12.840 -1.916 117 HG2 GLU 20 HG2 GLU 20 58.248 10.416 -2.021 118 HG3 GLU 20 HG1 GLU 20 57.370 10.352 -3.548 119 H TYR 21 HN TYR 21 54.830 10.822 -3.847 120 HA TYR 21 HA TYR 21 53.407 13.159 -4.811 121 HB2 TYR 21 HB2 TYR 21 53.382 10.273 -5.730 122 HB3 TYR 21 HB1 TYR 21 52.569 11.603 -6.554 123 HD1 TYR 21 HD2 TYR 21 55.910 10.420 -5.386 124 HD2 TYR 21 HD1 TYR 21 53.750 13.027 -8.030 125 HE1 TYR 21 HE2 TYR 21 58.025 10.996 -6.546 126 HE2 TYR 21 HE1 TYR 21 55.865 13.603 -9.190 127 HH TYR 21 HH TYR 21 58.988 12.329 -8.057 128 H THR 22 HN THR 22 52.531 9.961 -3.505 129 HA THR 22 HA THR 22 49.790 10.113 -3.526 130 HB THR 22 HB THR 22 49.788 8.432 -1.912 131 HG1 THR 22 HG1 THR 22 51.019 8.477 -0.159 132 HG21 THR 22 HG21 THR 22 51.500 8.154 -3.895 133 HG22 THR 22 HG22 THR 22 51.464 6.968 -2.591 134 HG23 THR 22 HG23 THR 22 52.698 8.228 -2.603 135 H ASP 23 HN ASP 23 52.035 11.742 -1.380 136 HA ASP 23 HA ASP 23 50.567 12.571 0.735 137 HB2 ASP 23 HB2 ASP 23 52.755 13.715 -0.823 138 HB3 ASP 23 HB1 ASP 23 51.765 14.942 -0.034 139 H TRP 24 HN TRP 24 49.954 13.352 -2.580 140 HA TRP 24 HA TRP 24 47.595 14.893 -1.740 141 HB2 TRP 24 HB2 TRP 24 48.078 16.470 -3.693 142 HB3 TRP 24 HB1 TRP 24 49.085 16.660 -2.258 143 HD1 TRP 24 HD1 TRP 24 51.455 15.079 -2.391 144 HE1 TRP 24 HE1 TRP 24 53.061 14.886 -4.398 145 HE3 TRP 24 HE3 TRP 24 48.364 16.629 -6.148 146 HZ2 TRP 24 HZ2 TRP 24 53.039 15.332 -7.223 147 HZ3 TRP 24 HZ3 TRP 24 49.180 16.735 -8.485 148 HH2 TRP 24 HH2 TRP 24 51.512 16.089 -9.027 149 H LYS 25 HN LYS 25 49.095 14.241 -4.904 150 HA LYS 25 HA LYS 25 48.105 13.458 -6.844 151 HB2 LYS 25 HB2 LYS 25 48.304 11.408 -4.830 152 HB3 LYS 25 HB1 LYS 25 46.919 11.092 -5.876 153 HG2 LYS 25 HG2 LYS 25 48.315 11.250 -7.861 154 HG3 LYS 25 HG1 LYS 25 49.705 11.730 -6.886 155 HD2 LYS 25 HD2 LYS 25 48.652 9.302 -5.797 156 HD3 LYS 25 HD1 LYS 25 48.846 9.087 -7.537 157 HE2 LYS 25 HE2 LYS 25 51.173 9.877 -7.387 158 HE3 LYS 25 HE1 LYS 25 50.985 10.121 -5.652 159 HZ1 LYS 25 HZ1 LYS 25 50.367 7.700 -5.551 160 HZ2 LYS 25 HZ2 LYS 25 51.994 8.032 -5.912 161 HZ3 LYS 25 HZ3 LYS 25 50.923 7.567 -7.148 162 H SER 26 HN SER 26 46.466 14.890 -7.331 163 HA SER 26 HA SER 26 43.836 14.527 -6.112 164 HB2 SER 26 HB2 SER 26 43.452 16.440 -7.984 165 HB3 SER 26 HB1 SER 26 44.047 16.777 -6.362 166 HG SER 26 HG SER 26 46.108 16.014 -7.829 167 H SER 27 HN SER 27 43.442 12.403 -6.986 168 HA SER 27 HA SER 27 43.515 11.527 -9.565 169 HB2 SER 27 HB2 SER 27 42.692 10.206 -7.616 170 HB3 SER 27 HB1 SER 27 41.174 11.096 -7.695 171 HG SER 27 HG SER 27 42.313 9.602 -9.828 172 H GLY 28 HN GLY 28 40.467 12.801 -8.227 173 HA2 GLY 28 HA2 GLY 28 39.820 13.849 -10.916 174 HA3 GLY 28 HA1 GLY 28 38.633 13.359 -9.713 175 H ALA 29 HN ALA 29 40.916 14.850 -7.951 176 HA ALA 29 HA ALA 29 41.310 17.012 -7.212 177 HB1 ALA 29 HB1 ALA 29 40.659 17.581 -9.729 178 HB2 ALA 29 HB2 ALA 29 40.786 18.839 -8.500 179 HB3 ALA 29 HB3 ALA 29 39.204 18.207 -8.954 180 H LEU 30 HN LEU 30 39.757 15.333 -5.808 181 HA LEU 30 HA LEU 30 37.781 17.160 -4.633 182 HB2 LEU 30 HB2 LEU 30 36.194 15.261 -4.322 183 HB3 LEU 30 HB1 LEU 30 36.408 15.714 -6.009 184 HG LEU 30 HG LEU 30 37.947 13.470 -4.660 185 HD11 LEU 30 HD11 LEU 30 36.404 11.926 -5.708 186 HD12 LEU 30 HD12 LEU 30 35.543 13.251 -6.492 187 HD13 LEU 30 HD13 LEU 30 35.471 13.067 -4.739 188 HD21 LEU 30 HD21 LEU 30 39.187 13.745 -6.554 189 HD22 LEU 30 HD22 LEU 30 37.941 14.700 -7.353 190 HD23 LEU 30 HD23 LEU 30 37.839 12.941 -7.352 191 H ILE 31 HN ILE 31 40.509 16.206 -3.976 192 HA ILE 31 HA ILE 31 40.270 14.382 -1.776 193 HB ILE 31 HB ILE 31 42.599 16.239 -2.129 194 HG12 ILE 31 HG12 ILE 31 42.109 15.485 -4.396 195 HG13 ILE 31 HG11 ILE 31 43.505 14.598 -3.790 196 HG21 ILE 31 HG21 ILE 31 42.511 14.633 -0.237 197 HG22 ILE 31 HG22 ILE 31 43.827 14.269 -1.355 198 HG23 ILE 31 HG23 ILE 31 42.347 13.309 -1.391 199 HD11 ILE 31 HD11 ILE 31 42.034 13.010 -4.866 200 HD12 ILE 31 HD12 ILE 31 40.646 13.599 -3.956 201 HD13 ILE 31 HD13 ILE 31 41.939 12.732 -3.129 202 HA PRO 32 HA PRO 32 40.514 18.341 0.835 203 HB2 PRO 32 HB2 PRO 32 39.815 20.720 -0.356 204 HB3 PRO 32 HB1 PRO 32 41.473 20.105 -0.259 205 HG2 PRO 32 HG2 PRO 32 39.708 20.314 -2.564 206 HG3 PRO 32 HG1 PRO 32 41.459 20.084 -2.501 207 HD2 PRO 32 HD2 PRO 32 39.426 18.105 -3.007 208 HD3 PRO 32 HD1 PRO 32 41.187 17.880 -2.977 209 H ALA 33 HN ALA 33 38.211 16.780 -0.304 210 HA ALA 33 HA ALA 33 36.029 18.417 0.837 211 HB1 ALA 33 HB1 ALA 33 35.129 18.375 -1.236 212 HB2 ALA 33 HB2 ALA 33 34.751 16.691 -0.876 213 HB3 ALA 33 HB3 ALA 33 36.211 17.094 -1.778 214 H ILE 34 HN ILE 34 36.512 15.054 -0.261 215 HA ILE 34 HA ILE 34 34.931 13.957 1.835 216 HB ILE 34 HB ILE 34 36.781 11.995 0.914 217 HG12 ILE 34 HG12 ILE 34 37.301 13.592 -0.921 218 HG13 ILE 34 HG11 ILE 34 36.488 12.147 -1.508 219 HG21 ILE 34 HG21 ILE 34 34.713 11.090 -0.166 220 HG22 ILE 34 HG22 ILE 34 33.883 12.590 0.250 221 HG23 ILE 34 HG23 ILE 34 34.482 11.530 1.526 222 HD11 ILE 34 HD11 ILE 34 34.531 14.152 -0.770 223 HD12 ILE 34 HD12 ILE 34 34.777 13.357 -2.323 224 HD13 ILE 34 HD13 ILE 34 35.686 14.813 -1.926 225 H TYR 35 HN TYR 35 38.445 14.138 1.313 226 HA TYR 35 HA TYR 35 39.143 12.905 3.781 227 HB2 TYR 35 HB2 TYR 35 40.592 13.239 1.674 228 HB3 TYR 35 HB1 TYR 35 40.889 14.859 2.299 229 HD1 TYR 35 HD1 TYR 35 40.984 11.258 3.322 230 HD2 TYR 35 HD2 TYR 35 42.569 15.208 3.900 231 HE1 TYR 35 HE1 TYR 35 42.693 10.346 4.872 232 HE2 TYR 35 HE2 TYR 35 44.278 14.296 5.449 233 HH TYR 35 HH TYR 35 44.317 10.842 6.312 234 H MET 36 HN MET 36 38.113 16.075 2.925 235 HA MET 36 HA MET 36 39.225 17.316 5.318 236 HB2 MET 36 HB2 MET 36 39.150 18.607 3.231 237 HB3 MET 36 HB1 MET 36 37.396 18.428 3.175 238 HG2 MET 36 HG2 MET 36 37.054 19.863 4.973 239 HG3 MET 36 HG1 MET 36 38.656 19.567 5.648 240 HE1 MET 36 HE1 MET 36 40.844 20.064 3.954 241 HE2 MET 36 HE2 MET 36 40.552 20.982 5.430 242 HE3 MET 36 HE3 MET 36 41.040 21.823 3.961 243 H LEU 37 HN LEU 37 35.945 17.004 3.930 244 HA LEU 37 HA LEU 37 34.658 17.625 6.406 245 HB2 LEU 37 HB2 LEU 37 33.478 16.251 3.982 246 HB3 LEU 37 HB1 LEU 37 32.598 17.105 5.249 247 HG LEU 37 HG LEU 37 34.619 18.358 3.365 248 HD11 LEU 37 HD11 LEU 37 32.611 17.868 2.142 249 HD12 LEU 37 HD12 LEU 37 32.542 19.581 2.559 250 HD13 LEU 37 HD13 LEU 37 31.594 18.411 3.476 251 HD21 LEU 37 HD21 LEU 37 33.063 19.345 5.738 252 HD22 LEU 37 HD22 LEU 37 33.407 20.457 4.413 253 HD23 LEU 37 HD23 LEU 37 34.733 19.684 5.282 254 H VAL 38 HN VAL 38 36.529 15.552 6.799 255 HA VAL 38 HA VAL 38 34.727 13.452 7.783 256 HB VAL 38 HB VAL 38 37.093 13.054 5.967 257 HG11 VAL 38 HG11 VAL 38 37.691 11.598 7.719 258 HG12 VAL 38 HG12 VAL 38 36.743 10.566 6.649 259 HG13 VAL 38 HG13 VAL 38 36.011 11.230 8.109 260 HG21 VAL 38 HG21 VAL 38 35.553 11.642 4.762 261 HG22 VAL 38 HG22 VAL 38 34.702 13.144 5.124 262 HG23 VAL 38 HG23 VAL 38 34.385 11.697 6.083 263 H PHE 39 HN PHE 39 37.653 15.294 7.982 264 HA PHE 39 HA PHE 39 38.617 13.853 10.329 265 HB2 PHE 39 HB2 PHE 39 40.247 14.675 8.685 266 HB3 PHE 39 HB1 PHE 39 39.685 16.326 8.944 267 HD1 PHE 39 HD1 PHE 39 41.163 13.381 10.705 268 HD2 PHE 39 HD2 PHE 39 40.543 17.631 10.715 269 HE1 PHE 39 HE1 PHE 39 42.696 13.600 12.643 270 HE2 PHE 39 HE2 PHE 39 42.074 17.850 12.653 271 HZ PHE 39 HZ PHE 39 43.151 15.835 13.617 272 H LEU 40 HN LEU 40 37.153 16.954 9.486 273 HA LEU 40 HA LEU 40 37.044 17.675 12.343 274 HB2 LEU 40 HB2 LEU 40 36.500 19.936 11.555 275 HB3 LEU 40 HB1 LEU 40 38.001 19.364 10.827 276 HG LEU 40 HG LEU 40 36.034 18.469 9.072 277 HD11 LEU 40 HD11 LEU 40 35.433 21.316 9.932 278 HD12 LEU 40 HD12 LEU 40 34.398 19.923 10.247 279 HD13 LEU 40 HD13 LEU 40 34.678 20.457 8.589 280 HD21 LEU 40 HD21 LEU 40 38.218 19.374 8.439 281 HD22 LEU 40 HD22 LEU 40 37.742 20.977 9.002 282 HD23 LEU 40 HD23 LEU 40 36.950 20.264 7.597 283 H LEU 41 HN LEU 41 35.214 16.110 10.096 284 HA LEU 41 HA LEU 41 32.744 16.720 11.563 285 HB2 LEU 41 HB2 LEU 41 33.286 17.501 8.832 286 HB3 LEU 41 HB1 LEU 41 31.934 16.371 8.898 287 HG LEU 41 HG LEU 41 32.168 18.814 10.673 288 HD11 LEU 41 HD11 LEU 41 31.966 19.421 8.265 289 HD12 LEU 41 HD12 LEU 41 30.529 19.861 9.189 290 HD13 LEU 41 HD13 LEU 41 30.513 18.427 8.161 291 HD21 LEU 41 HD21 LEU 41 30.340 17.991 11.705 292 HD22 LEU 41 HD22 LEU 41 30.543 16.504 10.780 293 HD23 LEU 41 HD23 LEU 41 29.510 17.794 10.161 294 H GLY 42 HN GLY 42 34.832 14.469 11.030 295 HA2 GLY 42 HA2 GLY 42 32.814 12.340 10.847 296 HA3 GLY 42 HA1 GLY 42 34.186 12.281 9.745 297 H THR 43 HN THR 43 34.932 13.691 12.741 298 HA THR 43 HA THR 43 35.580 11.238 14.131 299 HB THR 43 HB THR 43 37.696 12.894 12.780 300 HG1 THR 43 HG1 THR 43 38.370 10.445 12.821 301 HG21 THR 43 HG21 THR 43 38.541 12.949 14.964 302 HG22 THR 43 HG22 THR 43 39.261 11.477 14.312 303 HG23 THR 43 HG23 THR 43 37.855 11.376 15.371 304 H THR 44 HN THR 44 36.102 14.738 13.869 305 HA THR 44 HA THR 44 36.608 15.082 16.678 306 HB THR 44 HB THR 44 36.115 16.953 14.373 307 HG1 THR 44 HG1 THR 44 38.191 16.731 14.402 308 HG21 THR 44 HG21 THR 44 36.107 17.543 17.325 309 HG22 THR 44 HG22 THR 44 35.018 18.146 16.075 310 HG23 THR 44 HG23 THR 44 36.673 18.749 16.167 311 H GLY 45 HN GLY 45 33.799 14.987 14.643 312 HA2 GLY 45 HA2 GLY 45 31.907 16.467 15.962 313 HA3 GLY 45 HA1 GLY 45 31.559 14.915 15.208 314 H ASN 46 HN ASN 46 33.250 13.344 16.920 315 HA ASN 46 HA ASN 46 32.031 13.706 19.577 316 HB2 ASN 46 HB2 ASN 46 30.965 11.695 19.599 317 HB3 ASN 46 HB1 ASN 46 30.935 11.940 17.854 318 HD21 ASN 46 HD21 ASN 46 33.163 11.139 16.778 319 HD22 ASN 46 HD22 ASN 46 33.699 9.622 17.321 320 H GLY 47 HN GLY 47 34.769 13.495 17.878 321 HA2 GLY 47 HA2 GLY 47 36.263 11.571 19.417 322 HA3 GLY 47 HA1 GLY 47 36.922 12.730 18.266 323 H LEU 48 HN LEU 48 34.830 13.847 20.797 324 HA LEU 48 HA LEU 48 37.120 15.227 22.034 325 HB2 LEU 48 HB2 LEU 48 34.178 15.798 22.433 326 HB3 LEU 48 HB1 LEU 48 35.543 16.830 22.864 327 HG LEU 48 HG LEU 48 34.762 16.020 20.047 328 HD11 LEU 48 HD11 LEU 48 34.476 18.612 19.948 329 HD12 LEU 48 HD12 LEU 48 34.365 18.504 21.705 330 HD13 LEU 48 HD13 LEU 48 33.199 17.651 20.693 331 HD21 LEU 48 HD21 LEU 48 36.500 17.955 19.626 332 HD22 LEU 48 HD22 LEU 48 37.078 16.317 19.934 333 HD23 LEU 48 HD23 LEU 48 37.087 17.515 21.230 334 H VAL 49 HN VAL 49 35.249 12.525 22.482 335 HA VAL 49 HA VAL 49 35.191 12.701 25.409 336 HB VAL 49 HB VAL 49 34.149 10.579 23.518 337 HG11 VAL 49 HG11 VAL 49 34.469 9.384 25.481 338 HG12 VAL 49 HG12 VAL 49 32.867 10.060 25.781 339 HG13 VAL 49 HG13 VAL 49 34.291 10.811 26.501 340 HG21 VAL 49 HG21 VAL 49 32.314 11.876 23.352 341 HG22 VAL 49 HG22 VAL 49 33.137 13.129 24.283 342 HG23 VAL 49 HG23 VAL 49 32.164 11.912 25.109 343 H LEU 50 HN LEU 50 37.355 11.840 23.069 344 HA LEU 50 HA LEU 50 38.741 9.978 24.899 345 HB2 LEU 50 HB2 LEU 50 39.578 8.755 22.915 346 HB3 LEU 50 HB1 LEU 50 37.821 8.669 23.053 347 HG LEU 50 HG LEU 50 38.285 10.995 21.572 348 HD11 LEU 50 HD11 LEU 50 40.652 10.118 21.322 349 HD12 LEU 50 HD12 LEU 50 39.794 10.374 19.803 350 HD13 LEU 50 HD13 LEU 50 39.974 8.744 20.452 351 HD21 LEU 50 HD21 LEU 50 36.442 9.502 21.150 352 HD22 LEU 50 HD22 LEU 50 37.534 8.167 20.776 353 HD23 LEU 50 HD23 LEU 50 37.412 9.541 19.678 354 H TRP 51 HN TRP 51 38.907 12.520 22.497 355 HA TRP 51 HA TRP 51 41.693 12.696 22.185 356 HB2 TRP 51 HB2 TRP 51 40.439 13.969 20.668 357 HB3 TRP 51 HB1 TRP 51 39.450 14.685 21.941 358 HD1 TRP 51 HD1 TRP 51 43.219 14.606 21.031 359 HE1 TRP 51 HE1 TRP 51 44.189 16.957 21.461 360 HE3 TRP 51 HE3 TRP 51 39.052 16.973 22.796 361 HZ2 TRP 51 HZ2 TRP 51 43.312 19.503 22.426 362 HZ3 TRP 51 HZ3 TRP 51 39.147 19.358 23.462 363 HH2 TRP 51 HH2 TRP 51 41.271 20.625 23.279 364 H THR 52 HN THR 52 39.768 15.043 24.046 365 HA THR 52 HA THR 52 41.818 16.145 25.520 366 HB THR 52 HB THR 52 39.873 17.306 25.867 367 HG1 THR 52 HG1 THR 52 39.726 15.438 27.993 368 HG21 THR 52 HG21 THR 52 38.600 14.588 25.806 369 HG22 THR 52 HG22 THR 52 38.264 15.996 24.800 370 HG23 THR 52 HG23 THR 52 37.708 15.955 26.473 371 H VAL 53 HN VAL 53 39.787 13.360 26.422 372 HA VAL 53 HA VAL 53 40.827 12.807 28.925 373 HB VAL 53 HB VAL 53 40.156 10.661 26.911 374 HG11 VAL 53 HG11 VAL 53 39.286 10.646 29.760 375 HG12 VAL 53 HG12 VAL 53 41.006 10.403 29.451 376 HG13 VAL 53 HG13 VAL 53 39.818 9.309 28.740 377 HG21 VAL 53 HG21 VAL 53 38.358 12.217 26.700 378 HG22 VAL 53 HG22 VAL 53 38.355 12.561 28.430 379 HG23 VAL 53 HG23 VAL 53 37.787 10.999 27.840 380 H PHE 54 HN PHE 54 41.953 11.462 25.813 381 HA PHE 54 HA PHE 54 44.071 9.941 26.664 382 HB2 PHE 54 HB2 PHE 54 43.276 10.249 24.287 383 HB3 PHE 54 HB1 PHE 54 44.199 11.751 24.247 384 HD1 PHE 54 HD1 PHE 54 44.540 8.096 24.972 385 HD2 PHE 54 HD2 PHE 54 46.501 11.722 23.760 386 HE1 PHE 54 HE1 PHE 54 46.607 6.816 24.484 387 HE2 PHE 54 HE2 PHE 54 48.567 10.440 23.272 388 HZ PHE 54 HZ PHE 54 48.620 7.988 23.634 389 H ARG 55 HN ARG 55 43.816 13.416 26.598 390 HA ARG 55 HA ARG 55 46.664 13.763 27.172 391 HB2 ARG 55 HB2 ARG 55 44.436 15.789 26.851 392 HB3 ARG 55 HB1 ARG 55 46.141 16.177 27.077 393 HG2 ARG 55 HG2 ARG 55 46.728 15.476 24.957 394 HG3 ARG 55 HG1 ARG 55 45.427 14.289 24.875 395 HD2 ARG 55 HD2 ARG 55 43.831 15.876 24.275 396 HD3 ARG 55 HD1 ARG 55 44.742 17.207 24.982 397 HE ARG 55 HE ARG 55 45.090 16.088 22.321 398 HH11 ARG 55 HH21 ARG 55 46.398 17.967 24.916 399 HH12 ARG 55 HH22 ARG 55 47.508 18.837 23.910 400 HH21 ARG 55 HH11 ARG 55 46.544 17.224 20.995 401 HH22 ARG 55 HH12 ARG 55 47.591 18.416 21.690 402 H LYS 56 HN LYS 56 43.595 14.859 28.641 403 HA LYS 56 HA LYS 56 44.565 15.758 31.059 404 HB2 LYS 56 HB2 LYS 56 41.974 14.273 30.560 405 HB3 LYS 56 HB1 LYS 56 42.328 15.257 31.981 406 HG2 LYS 56 HG2 LYS 56 42.855 16.644 29.447 407 HG3 LYS 56 HG1 LYS 56 41.163 16.192 29.660 408 HD2 LYS 56 HD2 LYS 56 41.124 17.286 31.857 409 HD3 LYS 56 HD1 LYS 56 42.831 17.704 31.692 410 HE2 LYS 56 HE2 LYS 56 42.422 19.292 30.035 411 HE3 LYS 56 HE1 LYS 56 40.899 18.544 29.553 412 HZ1 LYS 56 HZ1 LYS 56 39.903 19.276 31.607 413 HZ2 LYS 56 HZ2 LYS 56 40.570 20.610 30.793 414 HZ3 LYS 56 HZ3 LYS 56 41.374 19.939 32.131 415 H LYS 57 HN LYS 57 44.343 12.506 29.909 416 HA LYS 57 HA LYS 57 44.402 11.190 32.434 417 HB2 LYS 57 HB2 LYS 57 43.683 10.143 30.264 418 HB3 LYS 57 HB1 LYS 57 45.380 10.121 29.781 419 HG2 LYS 57 HG2 LYS 57 45.328 9.036 32.380 420 HG3 LYS 57 HG1 LYS 57 43.964 8.302 31.536 421 HD2 LYS 57 HD2 LYS 57 46.810 8.403 30.491 422 HD3 LYS 57 HD1 LYS 57 46.044 6.991 31.218 423 HE2 LYS 57 HE2 LYS 57 45.228 6.447 29.193 424 HE3 LYS 57 HE1 LYS 57 44.259 7.920 29.231 425 HZ1 LYS 57 HZ1 LYS 57 47.038 8.326 28.565 426 HZ2 LYS 57 HZ2 LYS 57 45.640 8.964 27.839 427 HZ3 LYS 57 HZ3 LYS 57 46.179 7.407 27.429 428 H GLY 58 HN GLY 58 46.302 13.275 32.413 429 HA2 GLY 58 HA2 GLY 58 48.921 12.009 32.106 430 HA3 GLY 58 HA1 GLY 58 48.618 13.701 32.489 431 H HIS 59 HN HIS 59 47.295 10.821 34.077 432 HA HIS 59 HA HIS 59 48.396 11.807 36.625 433 HB2 HIS 59 HB2 HIS 59 46.118 9.947 35.951 434 HB3 HIS 59 HB1 HIS 59 46.752 10.107 37.589 435 HD2 HIS 59 HD2 HIS 59 45.918 13.019 34.988 436 HE1 HIS 59 HE1 HIS 59 43.929 13.785 38.633 437 HE2 HIS 59 HE2 HIS 59 44.393 14.682 36.303 438 H HIS 60 HN HIS 60 47.431 8.499 35.990 439 HA HIS 60 HA HIS 60 50.018 7.415 35.566 440 HB2 HIS 60 HB2 HIS 60 49.499 8.156 38.247 441 HB3 HIS 60 HB1 HIS 60 49.384 6.397 38.177 442 HD2 HIS 60 HD2 HIS 60 51.789 5.244 36.748 443 HE1 HIS 60 HE1 HIS 60 54.240 8.407 38.094 444 HE2 HIS 60 HE2 HIS 60 54.241 6.084 37.069 445 H HIS 61 HN HIS 61 49.888 5.286 34.999 446 HA HIS 61 HA HIS 61 47.493 4.158 34.215 447 HB2 HIS 61 HB2 HIS 61 49.589 3.288 33.394 448 HB3 HIS 61 HB1 HIS 61 50.071 2.791 35.017 449 HD2 HIS 61 HD2 HIS 61 46.519 2.009 33.428 450 HE1 HIS 61 HE1 HIS 61 48.480 -1.636 34.255 451 HE2 HIS 61 HE2 HIS 61 46.308 -0.593 33.453 452 H HIS 62 HN HIS 62 49.382 3.049 37.038 453 HA HIS 62 HA HIS 62 47.078 2.957 38.742 454 HB2 HIS 62 HB2 HIS 62 46.407 0.987 37.667 455 HB3 HIS 62 HB1 HIS 62 48.066 0.435 37.436 456 HD2 HIS 62 HD2 HIS 62 48.855 -1.372 39.367 457 HE1 HIS 62 HE1 HIS 62 46.009 -0.379 42.323 458 HE2 HIS 62 HE2 HIS 62 47.918 -1.948 41.735 459 H HIS 63 HN HIS 63 48.493 4.148 40.077 460 HA HIS 63 HA HIS 63 50.156 2.505 41.773 461 HB2 HIS 63 HB2 HIS 63 51.725 3.047 39.940 462 HB3 HIS 63 HB1 HIS 63 51.429 4.765 40.210 463 HD2 HIS 63 HD2 HIS 63 54.277 4.815 41.005 464 HE1 HIS 63 HE1 HIS 63 53.498 3.064 44.766 465 HE2 HIS 63 HE2 HIS 63 55.230 4.299 43.381 466 H HIS 64 HN HIS 64 47.944 3.654 42.603 467 HA HIS 64 HA HIS 64 47.891 6.313 43.377 468 HB2 HIS 64 HB2 HIS 64 46.024 4.676 43.659 469 HB3 HIS 64 HB1 HIS 64 46.892 3.983 45.029 470 HD2 HIS 64 HD2 HIS 64 45.715 7.698 44.124 471 HE1 HIS 64 HE1 HIS 64 45.252 7.039 48.269 472 HE2 HIS 64 HE2 HIS 64 44.936 8.725 46.395 Start of MODEL 29 1 H1 MET 1 HT1 MET 1 76.452 45.209 6.812 2 H2 MET 1 HT2 MET 1 75.847 46.594 7.586 3 H3 MET 1 HT3 MET 1 75.970 46.550 5.893 4 HA MET 1 HA MET 1 74.360 44.468 7.141 5 HB2 MET 1 HB2 MET 1 73.496 47.369 6.925 6 HB3 MET 1 HB1 MET 1 72.407 46.018 7.246 7 HG2 MET 1 HG2 MET 1 74.776 46.122 9.003 8 HG3 MET 1 HG1 MET 1 73.660 47.475 9.195 9 HE1 MET 1 HE1 MET 1 72.477 45.464 12.174 10 HE2 MET 1 HE2 MET 1 72.842 47.051 11.500 11 HE3 MET 1 HE3 MET 1 74.114 45.836 11.612 12 H GLU 2 HN GLU 2 75.801 44.539 4.752 13 HA GLU 2 HA GLU 2 73.876 45.256 2.658 14 HB2 GLU 2 HB2 GLU 2 76.308 45.866 2.449 15 HB3 GLU 2 HB1 GLU 2 76.669 44.142 2.340 16 HG2 GLU 2 HG2 GLU 2 75.176 43.959 0.378 17 HG3 GLU 2 HG1 GLU 2 74.846 45.688 0.475 18 H GLU 3 HN GLU 3 72.435 43.505 3.511 19 HA GLU 3 HA GLU 3 73.062 40.783 3.436 20 HB2 GLU 3 HB2 GLU 3 70.501 42.319 3.085 21 HB3 GLU 3 HB1 GLU 3 70.528 40.565 2.904 22 HG2 GLU 3 HG2 GLU 3 69.978 41.217 5.225 23 HG3 GLU 3 HG1 GLU 3 71.503 40.334 5.150 24 H GLY 4 HN GLY 4 72.308 39.171 1.844 25 HA2 GLY 4 HA2 GLY 4 71.496 39.489 -0.723 26 HA3 GLY 4 HA1 GLY 4 73.209 39.890 -0.810 27 H GLY 5 HN GLY 5 73.710 37.968 1.470 28 HA2 GLY 5 HA2 GLY 5 74.365 35.778 1.734 29 HA3 GLY 5 HA1 GLY 5 72.978 35.350 0.738 30 H ASP 6 HN ASP 6 76.300 35.270 0.926 31 HA ASP 6 HA ASP 6 77.185 35.752 -1.683 32 HB2 ASP 6 HB2 ASP 6 78.160 34.213 0.649 33 HB3 ASP 6 HB1 ASP 6 78.813 33.731 -0.917 34 H PHE 7 HN PHE 7 74.902 33.554 -0.704 35 HA PHE 7 HA PHE 7 74.842 32.256 -3.263 36 HB2 PHE 7 HB2 PHE 7 75.018 29.924 -2.212 37 HB3 PHE 7 HB1 PHE 7 76.524 30.811 -2.439 38 HD1 PHE 7 HD1 PHE 7 73.968 29.786 0.042 39 HD2 PHE 7 HD2 PHE 7 77.813 31.602 -0.565 40 HE1 PHE 7 HE1 PHE 7 74.418 29.648 2.477 41 HE2 PHE 7 HE2 PHE 7 78.263 31.463 1.870 42 HZ PHE 7 HZ PHE 7 76.565 30.487 3.391 43 H ASP 8 HN ASP 8 73.120 33.819 -1.469 44 HA ASP 8 HA ASP 8 71.199 32.388 -0.096 45 HB2 ASP 8 HB2 ASP 8 71.479 35.017 -1.069 46 HB3 ASP 8 HB1 ASP 8 69.924 34.440 -1.670 47 H ASN 9 HN ASN 9 69.454 31.163 -0.611 48 HA ASN 9 HA ASN 9 69.220 30.323 -3.413 49 HB2 ASN 9 HB2 ASN 9 69.445 28.677 -1.470 50 HB3 ASN 9 HB1 ASN 9 67.795 29.123 -1.040 51 HD21 ASN 9 HD21 ASN 9 68.407 26.461 -1.860 52 HD22 ASN 9 HD22 ASN 9 67.682 26.181 -3.369 53 H TYR 10 HN TYR 10 68.179 32.913 -2.371 54 HA TYR 10 HA TYR 10 66.349 34.241 -2.790 55 HB2 TYR 10 HB2 TYR 10 64.825 31.962 -3.978 56 HB3 TYR 10 HB1 TYR 10 64.913 33.645 -4.496 57 HD1 TYR 10 HD2 TYR 10 67.770 34.177 -4.659 58 HD2 TYR 10 HD1 TYR 10 65.589 30.646 -5.765 59 HE1 TYR 10 HE2 TYR 10 69.549 33.588 -6.283 60 HE2 TYR 10 HE1 TYR 10 67.369 30.057 -7.389 61 HH TYR 10 HH TYR 10 70.389 31.833 -7.531 62 H TYR 11 HN TYR 11 64.948 31.003 -2.237 63 HA TYR 11 HA TYR 11 63.606 30.208 -0.542 64 HB2 TYR 11 HB2 TYR 11 65.290 31.902 0.773 65 HB3 TYR 11 HB1 TYR 11 63.725 32.637 1.125 66 HD1 TYR 11 HD2 TYR 11 65.687 29.487 1.331 67 HD2 TYR 11 HD1 TYR 11 62.148 31.576 2.579 68 HE1 TYR 11 HE2 TYR 11 65.230 27.714 3.003 69 HE2 TYR 11 HE1 TYR 11 61.690 29.803 4.251 70 HH TYR 11 HH TYR 11 62.340 27.860 5.091 71 H GLY 12 HN GLY 12 63.106 33.746 -0.552 72 HA2 GLY 12 HA2 GLY 12 60.325 33.669 -0.221 73 HA3 GLY 12 HA1 GLY 12 61.221 35.014 -0.921 74 H ALA 13 HN ALA 13 62.312 33.346 -3.089 75 HA ALA 13 HA ALA 13 60.668 33.912 -5.177 76 HB1 ALA 13 HB1 ALA 13 62.735 33.064 -5.819 77 HB2 ALA 13 HB2 ALA 13 61.664 31.719 -6.215 78 HB3 ALA 13 HB3 ALA 13 62.619 31.680 -4.733 79 H ASP 14 HN ASP 14 60.286 31.329 -2.864 80 HA ASP 14 HA ASP 14 58.609 29.554 -4.120 81 HB2 ASP 14 HB2 ASP 14 58.585 30.610 -1.295 82 HB3 ASP 14 HB1 ASP 14 57.485 29.340 -1.828 83 H ASN 15 HN ASN 15 58.034 32.866 -3.499 84 HA ASN 15 HA ASN 15 55.176 32.795 -3.400 85 HB2 ASN 15 HB2 ASN 15 57.067 34.708 -2.903 86 HB3 ASN 15 HB1 ASN 15 56.429 35.238 -4.459 87 HD21 ASN 15 HD21 ASN 15 54.200 35.944 -4.549 88 HD22 ASN 15 HD22 ASN 15 53.278 36.184 -3.145 89 H GLN 16 HN GLN 16 57.475 33.726 -5.969 90 HA GLN 16 HA GLN 16 55.311 33.486 -7.943 91 HB2 GLN 16 HB2 GLN 16 58.084 34.366 -8.644 92 HB3 GLN 16 HB1 GLN 16 56.539 34.878 -9.326 93 HG2 GLN 16 HG2 GLN 16 56.053 35.896 -7.012 94 HG3 GLN 16 HG1 GLN 16 57.772 35.676 -6.688 95 HE21 GLN 16 HE21 GLN 16 55.486 37.327 -8.892 96 HE22 GLN 16 HE22 GLN 16 56.583 38.526 -9.382 97 H SER 17 HN SER 17 56.115 31.067 -6.857 98 HA SER 17 HA SER 17 57.199 29.755 -9.237 99 HB2 SER 17 HB2 SER 17 58.395 29.444 -6.476 100 HB3 SER 17 HB1 SER 17 58.752 28.389 -7.841 101 HG SER 17 HG SER 17 59.296 30.445 -8.955 102 H GLU 18 HN GLU 18 57.141 27.274 -8.841 103 HA GLU 18 HA GLU 18 54.506 26.472 -8.469 104 HB2 GLU 18 HB2 GLU 18 55.389 24.176 -8.364 105 HB3 GLU 18 HB1 GLU 18 56.174 25.104 -9.642 106 HG2 GLU 18 HG2 GLU 18 57.779 25.645 -7.473 107 HG3 GLU 18 HG1 GLU 18 57.317 23.969 -7.182 108 H CYS 19 HN CYS 19 53.795 27.502 -6.521 109 HA CYS 19 HA CYS 19 54.889 26.441 -4.010 110 HB2 CYS 19 HB2 CYS 19 54.354 28.949 -4.484 111 HB3 CYS 19 HB1 CYS 19 52.684 28.471 -4.185 112 HG CYS 19 HG CYS 19 54.736 27.662 -2.013 113 H GLU 20 HN GLU 20 51.879 26.621 -5.865 114 HA GLU 20 HA GLU 20 50.902 24.261 -4.434 115 HB2 GLU 20 HB2 GLU 20 49.395 26.879 -4.601 116 HB3 GLU 20 HB1 GLU 20 48.659 25.344 -4.140 117 HG2 GLU 20 HG2 GLU 20 50.381 25.152 -2.314 118 HG3 GLU 20 HG1 GLU 20 50.912 26.784 -2.715 119 H TYR 21 HN TYR 21 51.818 24.009 -6.885 120 HA TYR 21 HA TYR 21 49.382 23.750 -8.521 121 HB2 TYR 21 HB2 TYR 21 52.016 24.927 -9.432 122 HB3 TYR 21 HB1 TYR 21 50.729 24.424 -10.528 123 HD1 TYR 21 HD1 TYR 21 51.553 26.725 -7.722 124 HD2 TYR 21 HD2 TYR 21 48.798 25.777 -10.878 125 HE1 TYR 21 HE1 TYR 21 50.404 28.895 -7.370 126 HE2 TYR 21 HE2 TYR 21 47.649 27.946 -10.527 127 HH TYR 21 HH TYR 21 48.934 30.469 -8.938 128 H THR 22 HN THR 22 51.528 22.093 -6.932 129 HA THR 22 HA THR 22 51.541 19.893 -8.853 130 HB THR 22 HB THR 22 53.679 20.325 -9.448 131 HG1 THR 22 HG1 THR 22 54.073 18.603 -8.117 132 HG21 THR 22 HG21 THR 22 53.827 22.028 -6.951 133 HG22 THR 22 HG22 THR 22 53.655 22.588 -8.613 134 HG23 THR 22 HG23 THR 22 55.163 21.842 -8.086 135 H ASP 23 HN ASP 23 52.639 20.980 -5.642 136 HA ASP 23 HA ASP 23 52.517 18.350 -4.501 137 HB2 ASP 23 HB2 ASP 23 52.891 21.123 -3.407 138 HB3 ASP 23 HB1 ASP 23 52.622 19.763 -2.319 139 H TRP 24 HN TRP 24 50.072 19.749 -5.775 140 HA TRP 24 HA TRP 24 48.197 18.895 -3.684 141 HB2 TRP 24 HB2 TRP 24 47.044 20.879 -3.544 142 HB3 TRP 24 HB1 TRP 24 48.663 21.512 -3.836 143 HD1 TRP 24 HD1 TRP 24 49.259 22.127 -6.438 144 HE1 TRP 24 HE1 TRP 24 47.723 23.039 -8.299 145 HE3 TRP 24 HE3 TRP 24 44.696 20.923 -4.485 146 HZ2 TRP 24 HZ2 TRP 24 44.929 23.231 -8.881 147 HZ3 TRP 24 HZ3 TRP 24 42.617 21.482 -5.712 148 HH2 TRP 24 HH2 TRP 24 42.728 22.633 -7.905 149 H LYS 25 HN LYS 25 49.208 18.036 -6.433 150 HA LYS 25 HA LYS 25 47.470 18.326 -8.500 151 HB2 LYS 25 HB2 LYS 25 49.437 16.460 -7.796 152 HB3 LYS 25 HB1 LYS 25 47.994 15.500 -8.127 153 HG2 LYS 25 HG2 LYS 25 49.151 15.777 -10.221 154 HG3 LYS 25 HG1 LYS 25 47.728 16.817 -10.273 155 HD2 LYS 25 HD2 LYS 25 49.738 18.389 -9.096 156 HD3 LYS 25 HD1 LYS 25 50.529 17.550 -10.431 157 HE2 LYS 25 HE2 LYS 25 48.055 19.288 -10.561 158 HE3 LYS 25 HE1 LYS 25 49.611 19.577 -11.338 159 HZ1 LYS 25 HZ1 LYS 25 49.058 18.280 -13.036 160 HZ2 LYS 25 HZ2 LYS 25 47.468 18.288 -12.438 161 HZ3 LYS 25 HZ3 LYS 25 48.530 17.027 -12.022 162 H SER 26 HN SER 26 45.325 18.293 -8.592 163 HA SER 26 HA SER 26 43.835 16.557 -6.736 164 HB2 SER 26 HB2 SER 26 41.989 18.015 -7.017 165 HB3 SER 26 HB1 SER 26 43.392 19.071 -6.888 166 HG SER 26 HG SER 26 43.157 19.627 -8.917 167 H SER 27 HN SER 27 43.996 14.592 -7.836 168 HA SER 27 HA SER 27 43.462 14.263 -10.604 169 HB2 SER 27 HB2 SER 27 44.684 12.564 -9.377 170 HB3 SER 27 HB1 SER 27 43.313 12.299 -8.305 171 HG SER 27 HG SER 27 43.226 11.977 -11.124 172 H GLY 28 HN GLY 28 41.500 12.450 -8.354 173 HA2 GLY 28 HA2 GLY 28 39.167 12.493 -9.838 174 HA3 GLY 28 HA1 GLY 28 39.218 12.247 -8.094 175 H ALA 29 HN ALA 29 40.456 14.930 -7.701 176 HA ALA 29 HA ALA 29 39.857 17.152 -7.488 177 HB1 ALA 29 HB1 ALA 29 38.464 18.130 -9.029 178 HB2 ALA 29 HB2 ALA 29 37.302 16.805 -8.983 179 HB3 ALA 29 HB3 ALA 29 38.809 16.626 -9.883 180 H LEU 30 HN LEU 30 39.291 15.342 -5.510 181 HA LEU 30 HA LEU 30 37.067 16.642 -4.200 182 HB2 LEU 30 HB2 LEU 30 35.684 14.750 -3.845 183 HB3 LEU 30 HB1 LEU 30 36.055 14.742 -5.568 184 HG LEU 30 HG LEU 30 37.319 13.022 -3.411 185 HD11 LEU 30 HD11 LEU 30 36.279 11.214 -4.503 186 HD12 LEU 30 HD12 LEU 30 35.998 12.147 -5.974 187 HD13 LEU 30 HD13 LEU 30 35.046 12.475 -4.526 188 HD21 LEU 30 HD21 LEU 30 38.115 13.530 -6.286 189 HD22 LEU 30 HD22 LEU 30 38.546 12.038 -5.453 190 HD23 LEU 30 HD23 LEU 30 39.136 13.585 -4.849 191 H ILE 31 HN ILE 31 40.056 15.927 -4.001 192 HA ILE 31 HA ILE 31 40.312 14.304 -1.664 193 HB ILE 31 HB ILE 31 42.427 16.295 -2.271 194 HG12 ILE 31 HG12 ILE 31 41.388 14.254 -4.233 195 HG13 ILE 31 HG11 ILE 31 41.900 15.916 -4.534 196 HG21 ILE 31 HG21 ILE 31 42.437 14.234 -0.671 197 HG22 ILE 31 HG22 ILE 31 43.841 14.510 -1.702 198 HG23 ILE 31 HG23 ILE 31 42.644 13.294 -2.149 199 HD11 ILE 31 HD11 ILE 31 43.599 13.478 -4.053 200 HD12 ILE 31 HD12 ILE 31 44.238 15.089 -3.728 201 HD13 ILE 31 HD13 ILE 31 43.708 14.661 -5.356 202 HA PRO 32 HA PRO 32 40.519 18.444 0.643 203 HB2 PRO 32 HB2 PRO 32 39.642 20.709 -0.624 204 HB3 PRO 32 HB1 PRO 32 41.318 20.136 -0.684 205 HG2 PRO 32 HG2 PRO 32 39.272 20.125 -2.768 206 HG3 PRO 32 HG1 PRO 32 41.030 19.989 -2.908 207 HD2 PRO 32 HD2 PRO 32 39.079 17.878 -3.047 208 HD3 PRO 32 HD1 PRO 32 40.844 17.741 -3.187 209 H ALA 33 HN ALA 33 37.987 17.061 -0.867 210 HA ALA 33 HA ALA 33 35.939 18.554 0.658 211 HB1 ALA 33 HB1 ALA 33 35.511 18.510 -1.752 212 HB2 ALA 33 HB2 ALA 33 34.307 17.541 -0.901 213 HB3 ALA 33 HB3 ALA 33 35.633 16.750 -1.756 214 H ILE 34 HN ILE 34 37.453 15.472 0.094 215 HA ILE 34 HA ILE 34 35.580 14.122 1.919 216 HB ILE 34 HB ILE 34 37.548 13.206 -0.146 217 HG12 ILE 34 HG12 ILE 34 35.671 11.862 -0.870 218 HG13 ILE 34 HG11 ILE 34 34.777 12.227 0.604 219 HG21 ILE 34 HG21 ILE 34 36.697 11.701 2.329 220 HG22 ILE 34 HG22 ILE 34 38.312 11.851 1.632 221 HG23 ILE 34 HG23 ILE 34 37.099 10.851 0.838 222 HD11 ILE 34 HD11 ILE 34 34.358 14.443 -0.045 223 HD12 ILE 34 HD12 ILE 34 34.223 13.567 -1.569 224 HD13 ILE 34 HD13 ILE 34 35.696 14.458 -1.193 225 H TYR 35 HN TYR 35 39.108 14.352 1.388 226 HA TYR 35 HA TYR 35 39.833 13.299 3.905 227 HB2 TYR 35 HB2 TYR 35 41.294 13.635 1.811 228 HB3 TYR 35 HB1 TYR 35 41.500 15.292 2.380 229 HD1 TYR 35 HD1 TYR 35 42.082 11.725 3.188 230 HD2 TYR 35 HD2 TYR 35 42.814 15.799 4.339 231 HE1 TYR 35 HE1 TYR 35 43.803 10.960 4.801 232 HE2 TYR 35 HE2 TYR 35 44.535 15.034 5.952 233 HH TYR 35 HH TYR 35 46.100 12.769 6.033 234 H MET 36 HN MET 36 38.513 16.309 3.024 235 HA MET 36 HA MET 36 39.596 17.721 5.346 236 HB2 MET 36 HB2 MET 36 39.418 18.979 3.272 237 HB3 MET 36 HB1 MET 36 37.699 18.604 3.158 238 HG2 MET 36 HG2 MET 36 37.191 19.898 5.105 239 HG3 MET 36 HG1 MET 36 38.896 20.050 5.530 240 HE1 MET 36 HE1 MET 36 40.478 22.265 3.058 241 HE2 MET 36 HE2 MET 36 40.577 20.847 4.098 242 HE3 MET 36 HE3 MET 36 40.234 22.425 4.802 243 H LEU 37 HN LEU 37 36.354 17.023 4.014 244 HA LEU 37 HA LEU 37 35.015 17.674 6.453 245 HB2 LEU 37 HB2 LEU 37 33.983 16.012 4.144 246 HB3 LEU 37 HB1 LEU 37 33.020 16.854 5.357 247 HG LEU 37 HG LEU 37 34.889 18.180 3.369 248 HD11 LEU 37 HD11 LEU 37 32.800 17.233 2.379 249 HD12 LEU 37 HD12 LEU 37 32.848 18.995 2.306 250 HD13 LEU 37 HD13 LEU 37 31.860 18.189 3.524 251 HD21 LEU 37 HD21 LEU 37 34.862 19.643 5.188 252 HD22 LEU 37 HD22 LEU 37 33.239 19.162 5.682 253 HD23 LEU 37 HD23 LEU 37 33.460 20.207 4.279 254 H VAL 38 HN VAL 38 37.097 15.845 6.976 255 HA VAL 38 HA VAL 38 35.528 13.597 8.052 256 HB VAL 38 HB VAL 38 38.015 13.447 6.374 257 HG11 VAL 38 HG11 VAL 38 38.785 12.252 8.247 258 HG12 VAL 38 HG12 VAL 38 38.044 10.994 7.257 259 HG13 VAL 38 HG13 VAL 38 37.174 11.652 8.642 260 HG21 VAL 38 HG21 VAL 38 36.783 11.723 5.238 261 HG22 VAL 38 HG22 VAL 38 35.662 13.064 5.479 262 HG23 VAL 38 HG23 VAL 38 35.582 11.648 6.528 263 H PHE 39 HN PHE 39 38.503 15.507 8.141 264 HA PHE 39 HA PHE 39 39.380 14.470 10.668 265 HB2 PHE 39 HB2 PHE 39 41.028 15.386 9.169 266 HB3 PHE 39 HB1 PHE 39 40.174 16.927 9.093 267 HD1 PHE 39 HD2 PHE 39 41.882 14.602 11.470 268 HD2 PHE 39 HD1 PHE 39 40.621 18.628 10.664 269 HE1 PHE 39 HE2 PHE 39 43.124 15.391 13.466 270 HE2 PHE 39 HE1 PHE 39 41.862 19.417 12.660 271 HZ PHE 39 HZ PHE 39 43.113 17.798 14.061 272 H LEU 40 HN LEU 40 37.030 16.744 9.711 273 HA LEU 40 HA LEU 40 36.710 17.598 12.513 274 HB2 LEU 40 HB2 LEU 40 36.247 19.890 11.809 275 HB3 LEU 40 HB1 LEU 40 37.863 19.415 11.286 276 HG LEU 40 HG LEU 40 36.247 18.611 9.176 277 HD11 LEU 40 HD11 LEU 40 35.341 21.329 10.180 278 HD12 LEU 40 HD12 LEU 40 34.354 19.867 10.156 279 HD13 LEU 40 HD13 LEU 40 34.886 20.597 8.641 280 HD21 LEU 40 HD21 LEU 40 37.755 21.220 9.551 281 HD22 LEU 40 HD22 LEU 40 37.297 20.520 7.998 282 HD23 LEU 40 HD23 LEU 40 38.461 19.690 9.031 283 H LEU 41 HN LEU 41 35.414 16.040 9.970 284 HA LEU 41 HA LEU 41 32.685 16.505 10.931 285 HB2 LEU 41 HB2 LEU 41 33.242 17.969 8.868 286 HB3 LEU 41 HB1 LEU 41 33.201 16.453 7.968 287 HG LEU 41 HG LEU 41 30.916 16.157 9.332 288 HD11 LEU 41 HD11 LEU 41 31.204 18.307 10.534 289 HD12 LEU 41 HD12 LEU 41 29.759 18.318 9.523 290 HD13 LEU 41 HD13 LEU 41 31.214 19.157 8.989 291 HD21 LEU 41 HD21 LEU 41 31.002 16.050 6.930 292 HD22 LEU 41 HD22 LEU 41 31.382 17.769 6.809 293 HD23 LEU 41 HD23 LEU 41 29.780 17.254 7.338 294 H GLY 42 HN GLY 42 34.612 14.332 11.192 295 HA2 GLY 42 HA2 GLY 42 32.886 12.149 10.523 296 HA3 GLY 42 HA1 GLY 42 34.306 12.190 9.481 297 H THR 43 HN THR 43 34.519 13.393 12.731 298 HA THR 43 HA THR 43 35.275 10.998 14.045 299 HB THR 43 HB THR 43 37.451 12.597 12.728 300 HG1 THR 43 HG1 THR 43 36.749 9.887 13.071 301 HG21 THR 43 HG21 THR 43 37.531 11.164 15.374 302 HG22 THR 43 HG22 THR 43 38.221 12.729 14.942 303 HG23 THR 43 HG23 THR 43 38.968 11.244 14.353 304 H THR 44 HN THR 44 35.392 14.477 13.769 305 HA THR 44 HA THR 44 36.024 14.875 16.575 306 HB THR 44 HB THR 44 35.425 16.698 14.258 307 HG1 THR 44 HG1 THR 44 37.552 16.841 16.082 308 HG21 THR 44 HG21 THR 44 35.881 18.537 16.039 309 HG22 THR 44 HG22 THR 44 35.381 17.311 17.206 310 HG23 THR 44 HG23 THR 44 34.262 17.843 15.949 311 H GLY 45 HN GLY 45 33.215 14.631 14.548 312 HA2 GLY 45 HA2 GLY 45 31.236 16.004 15.808 313 HA3 GLY 45 HA1 GLY 45 30.992 14.385 15.159 314 H ASN 46 HN ASN 46 33.001 13.272 17.067 315 HA ASN 46 HA ASN 46 31.563 13.572 19.620 316 HB2 ASN 46 HB2 ASN 46 30.986 11.371 19.795 317 HB3 ASN 46 HB1 ASN 46 30.971 11.483 18.036 318 HD21 ASN 46 HD21 ASN 46 33.212 10.981 16.980 319 HD22 ASN 46 HD22 ASN 46 34.114 9.728 17.686 320 H GLY 47 HN GLY 47 34.294 14.219 18.335 321 HA2 GLY 47 HA2 GLY 47 36.067 12.725 20.139 322 HA3 GLY 47 HA1 GLY 47 36.576 13.749 18.800 323 H LEU 48 HN LEU 48 34.167 14.738 21.145 324 HA LEU 48 HA LEU 48 35.898 16.965 21.937 325 HB2 LEU 48 HB2 LEU 48 32.955 16.395 22.149 326 HB3 LEU 48 HB1 LEU 48 33.689 17.648 23.145 327 HG LEU 48 HG LEU 48 32.751 18.473 20.943 328 HD11 LEU 48 HD11 LEU 48 34.268 20.137 21.055 329 HD12 LEU 48 HD12 LEU 48 35.565 19.070 20.519 330 HD13 LEU 48 HD13 LEU 48 35.151 19.162 22.229 331 HD21 LEU 48 HD21 LEU 48 33.793 17.872 18.892 332 HD22 LEU 48 HD22 LEU 48 33.550 16.346 19.742 333 HD23 LEU 48 HD23 LEU 48 35.146 17.096 19.717 334 H VAL 49 HN VAL 49 35.498 13.906 22.947 335 HA VAL 49 HA VAL 49 35.498 14.528 25.822 336 HB VAL 49 HB VAL 49 35.252 11.911 24.323 337 HG11 VAL 49 HG11 VAL 49 36.292 11.203 26.272 338 HG12 VAL 49 HG12 VAL 49 34.612 11.228 26.809 339 HG13 VAL 49 HG13 VAL 49 35.687 12.566 27.214 340 HG21 VAL 49 HG21 VAL 49 33.378 13.907 25.016 341 HG22 VAL 49 HG22 VAL 49 33.137 12.600 26.176 342 HG23 VAL 49 HG23 VAL 49 33.029 12.274 24.446 343 H LEU 50 HN LEU 50 37.465 13.077 23.274 344 HA LEU 50 HA LEU 50 39.661 12.641 25.175 345 HB2 LEU 50 HB2 LEU 50 40.713 11.719 22.933 346 HB3 LEU 50 HB1 LEU 50 39.551 10.757 23.845 347 HG LEU 50 HG LEU 50 38.467 12.665 21.822 348 HD11 LEU 50 HD11 LEU 50 39.794 10.024 21.138 349 HD12 LEU 50 HD12 LEU 50 40.313 11.622 20.599 350 HD13 LEU 50 HD13 LEU 50 38.779 10.957 20.038 351 HD21 LEU 50 HD21 LEU 50 37.250 10.969 23.448 352 HD22 LEU 50 HD22 LEU 50 37.686 9.791 22.211 353 HD23 LEU 50 HD23 LEU 50 36.673 11.174 21.794 354 H TRP 51 HN TRP 51 38.530 15.135 23.375 355 HA TRP 51 HA TRP 51 41.059 16.067 22.290 356 HB2 TRP 51 HB2 TRP 51 39.481 16.952 20.920 357 HB3 TRP 51 HB1 TRP 51 38.230 16.893 22.161 358 HD1 TRP 51 HD1 TRP 51 41.343 18.977 21.229 359 HE1 TRP 51 HE1 TRP 51 40.977 21.389 22.065 360 HE3 TRP 51 HE3 TRP 51 36.877 18.409 23.639 361 HZ2 TRP 51 HZ2 TRP 51 39.046 22.880 23.558 362 HZ3 TRP 51 HZ3 TRP 51 35.798 20.340 24.758 363 HH2 TRP 51 HH2 TRP 51 36.876 22.572 24.720 364 H THR 52 HN THR 52 38.774 17.160 24.802 365 HA THR 52 HA THR 52 40.498 19.208 25.792 366 HB THR 52 HB THR 52 38.237 19.542 26.289 367 HG1 THR 52 HG1 THR 52 39.419 18.357 28.575 368 HG21 THR 52 HG21 THR 52 37.186 17.497 27.751 369 HG22 THR 52 HG22 THR 52 38.252 16.614 26.660 370 HG23 THR 52 HG23 THR 52 36.993 17.660 26.005 371 H VAL 53 HN VAL 53 39.879 15.855 26.681 372 HA VAL 53 HA VAL 53 41.507 15.915 29.043 373 HB VAL 53 HB VAL 53 40.423 13.620 27.395 374 HG11 VAL 53 HG11 VAL 53 40.929 12.539 29.806 375 HG12 VAL 53 HG12 VAL 53 42.222 13.738 29.768 376 HG13 VAL 53 HG13 VAL 53 42.112 12.517 28.499 377 HG21 VAL 53 HG21 VAL 53 38.525 13.930 28.576 378 HG22 VAL 53 HG22 VAL 53 39.217 15.424 29.208 379 HG23 VAL 53 HG23 VAL 53 39.423 13.913 30.094 380 H PHE 54 HN PHE 54 42.121 15.592 25.675 381 HA PHE 54 HA PHE 54 44.533 14.078 25.809 382 HB2 PHE 54 HB2 PHE 54 43.833 14.079 23.643 383 HB3 PHE 54 HB1 PHE 54 43.099 15.678 23.772 384 HD1 PHE 54 HD2 PHE 54 46.372 13.908 23.515 385 HD2 PHE 54 HD1 PHE 54 44.258 17.620 23.061 386 HE1 PHE 54 HE2 PHE 54 48.369 14.914 22.443 387 HE2 PHE 54 HE1 PHE 54 46.255 18.626 21.987 388 HZ PHE 54 HZ PHE 54 48.311 17.273 21.678 389 H ARG 55 HN ARG 55 44.080 17.557 25.121 390 HA ARG 55 HA ARG 55 46.775 18.270 25.463 391 HB2 ARG 55 HB2 ARG 55 45.942 20.578 25.658 392 HB3 ARG 55 HB1 ARG 55 45.138 19.721 24.341 393 HG2 ARG 55 HG2 ARG 55 43.477 19.119 26.413 394 HG3 ARG 55 HG1 ARG 55 44.029 20.723 26.896 395 HD2 ARG 55 HD2 ARG 55 42.572 19.916 24.386 396 HD3 ARG 55 HD1 ARG 55 42.142 21.164 25.552 397 HE ARG 55 HE ARG 55 43.858 21.488 23.293 398 HH11 ARG 55 HH21 ARG 55 43.373 22.404 26.594 399 HH12 ARG 55 HH22 ARG 55 44.179 23.930 26.433 400 HH21 ARG 55 HH11 ARG 55 44.916 23.486 23.074 401 HH22 ARG 55 HH12 ARG 55 45.051 24.542 24.440 402 H LYS 56 HN LYS 56 44.739 17.029 27.736 403 HA LYS 56 HA LYS 56 45.796 18.614 29.964 404 HB2 LYS 56 HB2 LYS 56 43.404 18.234 29.988 405 HB3 LYS 56 HB1 LYS 56 43.637 16.499 29.810 406 HG2 LYS 56 HG2 LYS 56 45.135 17.580 32.075 407 HG3 LYS 56 HG1 LYS 56 43.409 17.893 32.214 408 HD2 LYS 56 HD2 LYS 56 44.423 15.147 31.481 409 HD3 LYS 56 HD1 LYS 56 44.307 15.656 33.164 410 HE2 LYS 56 HE2 LYS 56 41.943 16.072 31.369 411 HE3 LYS 56 HE1 LYS 56 42.261 14.456 31.999 412 HZ1 LYS 56 HZ1 LYS 56 42.108 15.220 34.199 413 HZ2 LYS 56 HZ2 LYS 56 40.790 15.925 33.392 414 HZ3 LYS 56 HZ3 LYS 56 42.172 16.851 33.736 415 H LYS 57 HN LYS 57 45.257 15.148 29.277 416 HA LYS 57 HA LYS 57 46.342 13.294 30.108 417 HB2 LYS 57 HB2 LYS 57 47.626 14.064 28.095 418 HB3 LYS 57 HB1 LYS 57 48.733 14.899 29.181 419 HG2 LYS 57 HG2 LYS 57 48.391 12.216 30.136 420 HG3 LYS 57 HG1 LYS 57 48.758 12.151 28.414 421 HD2 LYS 57 HD2 LYS 57 50.352 13.797 30.392 422 HD3 LYS 57 HD1 LYS 57 50.790 12.158 29.913 423 HE2 LYS 57 HE2 LYS 57 50.210 13.874 27.617 424 HE3 LYS 57 HE1 LYS 57 51.546 14.483 28.595 425 HZ1 LYS 57 HZ1 LYS 57 52.118 12.827 26.795 426 HZ2 LYS 57 HZ2 LYS 57 51.365 11.650 27.761 427 HZ3 LYS 57 HZ3 LYS 57 52.721 12.490 28.344 428 H GLY 58 HN GLY 58 46.061 15.662 32.004 429 HA2 GLY 58 HA2 GLY 58 48.275 16.002 33.644 430 HA3 GLY 58 HA1 GLY 58 46.606 16.073 34.203 431 H HIS 59 HN HIS 59 49.465 14.115 33.935 432 HA HIS 59 HA HIS 59 48.454 12.336 36.007 433 HB2 HIS 59 HB2 HIS 59 48.730 11.537 33.184 434 HB3 HIS 59 HB1 HIS 59 49.520 10.458 34.336 435 HD2 HIS 59 HD2 HIS 59 45.967 11.246 33.080 436 HE1 HIS 59 HE1 HIS 59 45.515 8.882 36.549 437 HE2 HIS 59 HE2 HIS 59 44.301 9.874 34.551 438 H HIS 60 HN HIS 60 51.093 12.130 33.620 439 HA HIS 60 HA HIS 60 53.056 12.741 35.700 440 HB2 HIS 60 HB2 HIS 60 52.757 10.317 35.903 441 HB3 HIS 60 HB1 HIS 60 53.057 10.124 34.175 442 HD2 HIS 60 HD2 HIS 60 55.074 10.786 37.467 443 HE1 HIS 60 HE1 HIS 60 57.838 10.516 34.287 444 HE2 HIS 60 HE2 HIS 60 57.599 10.662 36.810 445 H HIS 61 HN HIS 61 53.194 14.610 34.238 446 HA HIS 61 HA HIS 61 53.895 14.531 31.550 447 HB2 HIS 61 HB2 HIS 61 54.494 16.471 33.766 448 HB3 HIS 61 HB1 HIS 61 55.161 16.721 32.153 449 HD2 HIS 61 HD2 HIS 61 52.966 16.672 30.079 450 HE1 HIS 61 HE1 HIS 61 50.155 18.176 32.846 451 HE2 HIS 61 HE2 HIS 61 50.613 17.762 30.383 452 H HIS 62 HN HIS 62 55.701 14.051 30.437 453 HA HIS 62 HA HIS 62 57.922 12.848 31.862 454 HB2 HIS 62 HB2 HIS 62 58.692 12.874 29.250 455 HB3 HIS 62 HB1 HIS 62 57.693 11.612 29.972 456 HD2 HIS 62 HD2 HIS 62 55.492 11.223 28.369 457 HE1 HIS 62 HE1 HIS 62 54.924 15.214 27.115 458 HE2 HIS 62 HE2 HIS 62 54.024 12.846 26.945 459 H HIS 63 HN HIS 63 57.723 15.357 29.322 460 HA HIS 63 HA HIS 63 59.541 17.080 30.773 461 HB2 HIS 63 HB2 HIS 63 60.407 15.650 28.257 462 HB3 HIS 63 HB1 HIS 63 61.172 17.134 28.826 463 HD2 HIS 63 HD2 HIS 63 61.375 13.361 29.491 464 HE1 HIS 63 HE1 HIS 63 63.369 15.235 32.705 465 HE2 HIS 63 HE2 HIS 63 62.923 13.010 31.564 466 H HIS 64 HN HIS 64 56.919 17.483 29.969 467 HA HIS 64 HA HIS 64 56.440 18.637 27.501 468 HB2 HIS 64 HB2 HIS 64 54.563 19.684 28.476 469 HB3 HIS 64 HB1 HIS 64 54.815 18.238 29.454 470 HD2 HIS 64 HD2 HIS 64 56.747 19.025 31.764 471 HE1 HIS 64 HE1 HIS 64 54.744 22.725 32.117 472 HE2 HIS 64 HE2 HIS 64 56.332 21.116 33.273 Start of MODEL 30 1 H1 MET 1 HT1 MET 1 87.095 18.683 -28.906 2 H2 MET 1 HT2 MET 1 87.401 17.326 -29.882 3 H3 MET 1 HT3 MET 1 86.267 17.230 -28.622 4 HA MET 1 HA MET 1 84.703 18.514 -29.729 5 HB2 MET 1 HB2 MET 1 86.870 19.248 -31.719 6 HB3 MET 1 HB1 MET 1 85.234 19.904 -31.645 7 HG2 MET 1 HG2 MET 1 86.048 21.525 -30.307 8 HG3 MET 1 HG1 MET 1 86.264 20.288 -29.069 9 HE1 MET 1 HE1 MET 1 88.078 21.394 -27.898 10 HE2 MET 1 HE2 MET 1 88.070 22.805 -28.952 11 HE3 MET 1 HE3 MET 1 89.593 22.000 -28.580 12 H GLU 2 HN GLU 2 84.507 18.439 -32.574 13 HA GLU 2 HA GLU 2 83.724 16.948 -34.152 14 HB2 GLU 2 HB2 GLU 2 86.392 16.725 -34.053 15 HB3 GLU 2 HB1 GLU 2 85.969 15.083 -33.566 16 HG2 GLU 2 HG2 GLU 2 85.173 16.519 -36.107 17 HG3 GLU 2 HG1 GLU 2 86.137 15.051 -35.956 18 H GLU 3 HN GLU 3 82.576 16.631 -31.622 19 HA GLU 3 HA GLU 3 81.490 14.014 -31.841 20 HB2 GLU 3 HB2 GLU 3 83.223 13.012 -30.722 21 HB3 GLU 3 HB1 GLU 3 83.686 14.496 -29.895 22 HG2 GLU 3 HG2 GLU 3 81.962 14.258 -28.274 23 HG3 GLU 3 HG1 GLU 3 81.124 13.033 -29.232 24 H GLY 4 HN GLY 4 79.447 14.167 -31.167 25 HA2 GLY 4 HA2 GLY 4 78.721 16.417 -29.405 26 HA3 GLY 4 HA1 GLY 4 77.627 15.586 -30.506 27 H GLY 5 HN GLY 5 78.545 12.923 -29.739 28 HA2 GLY 5 HA2 GLY 5 78.530 12.217 -27.114 29 HA3 GLY 5 HA1 GLY 5 76.832 12.554 -27.442 30 H ASP 6 HN ASP 6 79.313 10.256 -27.642 31 HA ASP 6 HA ASP 6 78.544 8.677 -29.827 32 HB2 ASP 6 HB2 ASP 6 80.527 8.527 -27.993 33 HB3 ASP 6 HB1 ASP 6 79.462 7.253 -27.400 34 H PHE 7 HN PHE 7 76.703 9.510 -27.215 35 HA PHE 7 HA PHE 7 74.923 7.203 -27.640 36 HB2 PHE 7 HB2 PHE 7 74.876 6.574 -25.465 37 HB3 PHE 7 HB1 PHE 7 76.430 7.403 -25.367 38 HD1 PHE 7 HD1 PHE 7 76.381 9.950 -24.857 39 HD2 PHE 7 HD2 PHE 7 73.069 7.306 -24.153 40 HE1 PHE 7 HE1 PHE 7 75.410 11.588 -23.267 41 HE2 PHE 7 HE2 PHE 7 72.099 8.944 -22.564 42 HZ PHE 7 HZ PHE 7 73.269 11.085 -22.121 43 H ASP 8 HN ASP 8 75.233 10.322 -28.100 44 HA ASP 8 HA ASP 8 73.218 11.706 -26.810 45 HB2 ASP 8 HB2 ASP 8 73.051 13.031 -28.972 46 HB3 ASP 8 HB1 ASP 8 74.664 12.906 -28.272 47 H ASN 9 HN ASN 9 71.474 10.274 -26.419 48 HA ASN 9 HA ASN 9 69.499 10.268 -28.545 49 HB2 ASN 9 HB2 ASN 9 70.793 8.175 -28.939 50 HB3 ASN 9 HB1 ASN 9 70.374 7.648 -27.309 51 HD21 ASN 9 HD21 ASN 9 68.878 5.974 -27.713 52 HD22 ASN 9 HD22 ASN 9 67.465 6.171 -28.633 53 H TYR 10 HN TYR 10 69.841 11.449 -25.884 54 HA TYR 10 HA TYR 10 68.641 11.816 -23.959 55 HB2 TYR 10 HB2 TYR 10 66.479 10.554 -25.659 56 HB3 TYR 10 HB1 TYR 10 66.192 11.391 -24.133 57 HD1 TYR 10 HD1 TYR 10 66.688 13.822 -23.921 58 HD2 TYR 10 HD2 TYR 10 66.981 11.763 -27.679 59 HE1 TYR 10 HE1 TYR 10 66.684 15.997 -25.112 60 HE2 TYR 10 HE2 TYR 10 66.977 13.937 -28.871 61 HH TYR 10 HH TYR 10 65.939 16.477 -28.056 62 H TYR 11 HN TYR 11 66.810 8.933 -24.832 63 HA TYR 11 HA TYR 11 66.708 6.833 -23.885 64 HB2 TYR 11 HB2 TYR 11 69.354 7.331 -23.799 65 HB3 TYR 11 HB1 TYR 11 69.014 7.270 -22.070 66 HD1 TYR 11 HD1 TYR 11 68.971 5.372 -25.233 67 HD2 TYR 11 HD2 TYR 11 68.241 5.223 -21.003 68 HE1 TYR 11 HE1 TYR 11 68.875 2.896 -25.336 69 HE2 TYR 11 HE2 TYR 11 68.143 2.747 -21.106 70 HH TYR 11 HH TYR 11 69.335 0.960 -23.463 71 H GLY 12 HN GLY 12 65.653 5.997 -22.114 72 HA2 GLY 12 HA2 GLY 12 64.241 6.168 -20.288 73 HA3 GLY 12 HA1 GLY 12 65.705 6.726 -19.484 74 H ALA 13 HN ALA 13 64.170 8.448 -22.129 75 HA ALA 13 HA ALA 13 64.076 10.889 -20.665 76 HB1 ALA 13 HB1 ALA 13 62.310 10.727 -22.998 77 HB2 ALA 13 HB2 ALA 13 63.959 10.198 -23.329 78 HB3 ALA 13 HB3 ALA 13 63.663 11.812 -22.683 79 H ASP 14 HN ASP 14 61.523 8.676 -21.806 80 HA ASP 14 HA ASP 14 59.299 10.002 -20.826 81 HB2 ASP 14 HB2 ASP 14 58.430 8.198 -21.837 82 HB3 ASP 14 HB1 ASP 14 59.940 7.304 -21.676 83 H ASN 15 HN ASN 15 61.764 8.274 -19.094 84 HA ASN 15 HA ASN 15 60.496 7.601 -16.723 85 HB2 ASN 15 HB2 ASN 15 62.988 7.324 -17.512 86 HB3 ASN 15 HB1 ASN 15 63.222 8.838 -16.638 87 HD21 ASN 15 HD21 ASN 15 61.083 8.177 -14.638 88 HD22 ASN 15 HD22 ASN 15 61.761 6.991 -13.630 89 H GLN 16 HN GLN 16 61.615 10.744 -17.847 90 HA GLN 16 HA GLN 16 60.728 11.981 -15.327 91 HB2 GLN 16 HB2 GLN 16 62.179 13.309 -17.621 92 HB3 GLN 16 HB1 GLN 16 61.991 13.908 -15.973 93 HG2 GLN 16 HG2 GLN 16 63.253 11.869 -15.180 94 HG3 GLN 16 HG1 GLN 16 63.590 11.497 -16.870 95 HE21 GLN 16 HE21 GLN 16 64.362 13.771 -18.054 96 HE22 GLN 16 HE22 GLN 16 65.633 14.535 -17.230 97 H SER 17 HN SER 17 58.714 10.974 -16.991 98 HA SER 17 HA SER 17 57.216 13.409 -17.488 99 HB2 SER 17 HB2 SER 17 58.331 13.141 -19.639 100 HB3 SER 17 HB1 SER 17 57.812 11.460 -19.728 101 HG SER 17 HG SER 17 56.297 13.830 -19.910 102 H GLU 18 HN GLU 18 55.076 12.394 -18.841 103 HA GLU 18 HA GLU 18 53.450 11.274 -16.970 104 HB2 GLU 18 HB2 GLU 18 52.046 10.443 -18.816 105 HB3 GLU 18 HB1 GLU 18 52.645 12.068 -19.152 106 HG2 GLU 18 HG2 GLU 18 54.651 10.505 -20.190 107 HG3 GLU 18 HG1 GLU 18 53.222 9.533 -20.536 108 H CYS 19 HN CYS 19 54.251 9.663 -15.685 109 HA CYS 19 HA CYS 19 54.572 7.034 -16.974 110 HB2 CYS 19 HB2 CYS 19 56.830 8.016 -16.517 111 HB3 CYS 19 HB1 CYS 19 56.412 8.067 -14.804 112 HG CYS 19 HG CYS 19 57.615 5.784 -15.252 113 H GLU 20 HN GLU 20 52.226 7.611 -15.912 114 HA GLU 20 HA GLU 20 50.669 6.960 -14.354 115 HB2 GLU 20 HB2 GLU 20 52.800 5.058 -13.365 116 HB3 GLU 20 HB1 GLU 20 51.051 4.885 -13.217 117 HG2 GLU 20 HG2 GLU 20 51.504 5.249 -15.959 118 HG3 GLU 20 HG1 GLU 20 52.782 4.155 -15.432 119 H TYR 21 HN TYR 21 52.442 9.160 -13.725 120 HA TYR 21 HA TYR 21 52.183 9.082 -10.794 121 HB2 TYR 21 HB2 TYR 21 54.364 9.528 -10.373 122 HB3 TYR 21 HB1 TYR 21 54.633 8.821 -11.967 123 HD1 TYR 21 HD1 TYR 21 54.523 10.404 -14.007 124 HD2 TYR 21 HD2 TYR 21 54.933 11.774 -9.958 125 HE1 TYR 21 HE1 TYR 21 55.380 12.581 -14.830 126 HE2 TYR 21 HE2 TYR 21 55.790 13.951 -10.781 127 HH TYR 21 HH TYR 21 56.681 14.446 -14.075 128 H THR 22 HN THR 22 51.040 10.412 -13.423 129 HA THR 22 HA THR 22 50.396 12.916 -12.121 130 HB THR 22 HB THR 22 52.549 13.460 -13.203 131 HG1 THR 22 HG1 THR 22 50.273 14.549 -14.498 132 HG21 THR 22 HG21 THR 22 53.019 13.006 -15.405 133 HG22 THR 22 HG22 THR 22 51.335 13.166 -15.906 134 HG23 THR 22 HG23 THR 22 51.882 11.691 -15.108 135 H ASP 23 HN ASP 23 50.206 10.835 -14.961 136 HA ASP 23 HA ASP 23 48.090 12.040 -16.317 137 HB2 ASP 23 HB2 ASP 23 49.451 9.506 -16.360 138 HB3 ASP 23 HB1 ASP 23 47.715 9.248 -16.521 139 H TRP 24 HN TRP 24 48.087 10.858 -13.198 140 HA TRP 24 HA TRP 24 45.144 10.806 -13.166 141 HB2 TRP 24 HB2 TRP 24 45.029 8.809 -11.897 142 HB3 TRP 24 HB1 TRP 24 46.142 8.450 -13.217 143 HD1 TRP 24 HD1 TRP 24 48.808 8.605 -12.616 144 HE1 TRP 24 HE1 TRP 24 50.025 8.070 -10.407 145 HE3 TRP 24 HE3 TRP 24 44.869 8.786 -9.370 146 HZ2 TRP 24 HZ2 TRP 24 49.410 7.760 -7.630 147 HZ3 TRP 24 HZ3 TRP 24 45.212 8.368 -6.952 148 HH2 TRP 24 HH2 TRP 24 47.476 7.855 -6.079 149 H LYS 25 HN LYS 25 46.945 12.890 -12.422 150 HA LYS 25 HA LYS 25 47.409 12.903 -9.608 151 HB2 LYS 25 HB2 LYS 25 48.582 14.344 -11.328 152 HB3 LYS 25 HB1 LYS 25 47.112 15.314 -11.403 153 HG2 LYS 25 HG2 LYS 25 47.965 16.485 -9.667 154 HG3 LYS 25 HG1 LYS 25 47.555 15.085 -8.678 155 HD2 LYS 25 HD2 LYS 25 50.209 15.434 -10.110 156 HD3 LYS 25 HD1 LYS 25 49.936 15.825 -8.414 157 HE2 LYS 25 HE2 LYS 25 49.128 13.433 -8.109 158 HE3 LYS 25 HE1 LYS 25 49.744 13.105 -9.727 159 HZ1 LYS 25 HZ1 LYS 25 51.618 12.653 -8.598 160 HZ2 LYS 25 HZ2 LYS 25 51.184 13.601 -7.257 161 HZ3 LYS 25 HZ3 LYS 25 51.834 14.334 -8.645 162 H SER 26 HN SER 26 45.534 12.404 -8.498 163 HA SER 26 HA SER 26 43.693 13.047 -7.250 164 HB2 SER 26 HB2 SER 26 43.033 15.244 -7.183 165 HB3 SER 26 HB1 SER 26 44.606 15.457 -7.948 166 HG SER 26 HG SER 26 43.656 15.865 -9.814 167 H SER 27 HN SER 27 41.724 12.177 -7.483 168 HA SER 27 HA SER 27 40.870 11.256 -10.052 169 HB2 SER 27 HB2 SER 27 39.619 11.182 -7.308 170 HB3 SER 27 HB1 SER 27 38.811 10.533 -8.733 171 HG SER 27 HG SER 27 40.755 9.269 -9.058 172 H GLY 28 HN GLY 28 40.984 14.255 -9.316 173 HA2 GLY 28 HA2 GLY 28 39.462 15.524 -10.992 174 HA3 GLY 28 HA1 GLY 28 38.191 14.984 -9.901 175 H ALA 29 HN ALA 29 40.741 15.364 -7.928 176 HA ALA 29 HA ALA 29 41.602 17.071 -6.620 177 HB1 ALA 29 HB1 ALA 29 41.189 18.435 -8.880 178 HB2 ALA 29 HB2 ALA 29 41.610 19.239 -7.367 179 HB3 ALA 29 HB3 ALA 29 39.929 19.178 -7.895 180 H LEU 30 HN LEU 30 39.062 15.564 -6.256 181 HA LEU 30 HA LEU 30 37.551 17.461 -4.573 182 HB2 LEU 30 HB2 LEU 30 36.824 14.726 -5.655 183 HB3 LEU 30 HB1 LEU 30 35.814 15.652 -4.549 184 HG LEU 30 HG LEU 30 36.332 17.513 -6.505 185 HD11 LEU 30 HD11 LEU 30 36.228 16.505 -8.644 186 HD12 LEU 30 HD12 LEU 30 35.779 14.936 -7.974 187 HD13 LEU 30 HD13 LEU 30 37.421 15.545 -7.769 188 HD21 LEU 30 HD21 LEU 30 34.075 15.488 -6.387 189 HD22 LEU 30 HD22 LEU 30 34.020 17.023 -7.255 190 HD23 LEU 30 HD23 LEU 30 34.146 17.008 -5.494 191 H ILE 31 HN ILE 31 40.006 15.271 -4.339 192 HA ILE 31 HA ILE 31 39.261 13.845 -1.989 193 HB ILE 31 HB ILE 31 42.114 14.419 -2.763 194 HG12 ILE 31 HG12 ILE 31 41.443 12.033 -3.987 195 HG13 ILE 31 HG11 ILE 31 40.032 13.036 -4.318 196 HG21 ILE 31 HG21 ILE 31 42.595 12.618 -1.458 197 HG22 ILE 31 HG22 ILE 31 41.147 11.744 -1.960 198 HG23 ILE 31 HG23 ILE 31 41.038 12.989 -0.716 199 HD11 ILE 31 HD11 ILE 31 42.921 13.731 -4.926 200 HD12 ILE 31 HD12 ILE 31 41.562 14.829 -5.156 201 HD13 ILE 31 HD13 ILE 31 41.666 13.346 -6.102 202 HA PRO 32 HA PRO 32 41.827 17.368 0.179 203 HB2 PRO 32 HB2 PRO 32 40.989 19.747 -1.333 204 HB3 PRO 32 HB1 PRO 32 42.614 19.250 -0.831 205 HG2 PRO 32 HG2 PRO 32 41.786 19.193 -3.395 206 HG3 PRO 32 HG1 PRO 32 42.987 18.069 -2.738 207 HD2 PRO 32 HD2 PRO 32 40.097 17.592 -3.353 208 HD3 PRO 32 HD1 PRO 32 41.483 16.494 -3.508 209 H ALA 33 HN ALA 33 38.654 17.533 -1.194 210 HA ALA 33 HA ALA 33 37.640 19.068 1.112 211 HB1 ALA 33 HB1 ALA 33 37.031 19.926 -1.114 212 HB2 ALA 33 HB2 ALA 33 35.608 19.381 -0.226 213 HB3 ALA 33 HB3 ALA 33 36.287 18.376 -1.506 214 H ILE 34 HN ILE 34 36.255 16.507 -0.938 215 HA ILE 34 HA ILE 34 34.447 15.425 0.767 216 HB ILE 34 HB ILE 34 36.206 14.190 -1.319 217 HG12 ILE 34 HG12 ILE 34 34.053 13.853 -2.424 218 HG13 ILE 34 HG11 ILE 34 33.196 14.378 -0.975 219 HG21 ILE 34 HG21 ILE 34 34.464 12.730 0.668 220 HG22 ILE 34 HG22 ILE 34 36.104 12.336 0.148 221 HG23 ILE 34 HG23 ILE 34 34.747 12.085 -0.948 222 HD11 ILE 34 HD11 ILE 34 35.202 16.160 -2.363 223 HD12 ILE 34 HD12 ILE 34 33.954 16.615 -1.203 224 HD13 ILE 34 HD13 ILE 34 33.504 16.127 -2.837 225 H TYR 35 HN TYR 35 37.918 15.172 1.003 226 HA TYR 35 HA TYR 35 37.812 13.106 3.047 227 HB2 TYR 35 HB2 TYR 35 39.674 13.360 1.323 228 HB3 TYR 35 HB1 TYR 35 40.213 14.755 2.259 229 HD1 TYR 35 HD1 TYR 35 39.454 11.111 2.504 230 HD2 TYR 35 HD2 TYR 35 41.471 14.479 4.248 231 HE1 TYR 35 HE1 TYR 35 40.607 9.597 4.095 232 HE2 TYR 35 HE2 TYR 35 42.624 12.966 5.838 233 HH TYR 35 HH TYR 35 43.254 10.282 5.691 234 H MET 36 HN MET 36 39.498 16.243 3.077 235 HA MET 36 HA MET 36 39.762 16.608 5.755 236 HB2 MET 36 HB2 MET 36 40.093 18.878 5.349 237 HB3 MET 36 HB1 MET 36 40.409 18.164 3.770 238 HG2 MET 36 HG2 MET 36 38.949 19.873 3.178 239 HG3 MET 36 HG1 MET 36 37.817 18.548 3.419 240 HE1 MET 36 HE1 MET 36 39.849 21.161 4.884 241 HE2 MET 36 HE2 MET 36 39.463 20.990 6.593 242 HE3 MET 36 HE3 MET 36 38.707 22.272 5.651 243 H LEU 37 HN LEU 37 36.806 16.703 3.949 244 HA LEU 37 HA LEU 37 35.245 18.110 5.897 245 HB2 LEU 37 HB2 LEU 37 34.701 16.560 3.411 246 HB3 LEU 37 HB1 LEU 37 33.369 16.774 4.547 247 HG LEU 37 HG LEU 37 35.052 19.144 3.797 248 HD11 LEU 37 HD11 LEU 37 34.522 18.415 1.618 249 HD12 LEU 37 HD12 LEU 37 33.209 19.528 2.006 250 HD13 LEU 37 HD13 LEU 37 32.950 17.786 2.114 251 HD21 LEU 37 HD21 LEU 37 33.270 20.352 4.632 252 HD22 LEU 37 HD22 LEU 37 33.049 18.869 5.560 253 HD23 LEU 37 HD23 LEU 37 32.082 19.156 4.114 254 H VAL 38 HN VAL 38 35.574 14.665 5.037 255 HA VAL 38 HA VAL 38 33.829 13.631 6.967 256 HB VAL 38 HB VAL 38 36.274 12.469 5.631 257 HG11 VAL 38 HG11 VAL 38 35.087 10.274 6.502 258 HG12 VAL 38 HG12 VAL 38 34.479 11.350 7.760 259 HG13 VAL 38 HG13 VAL 38 36.217 11.141 7.541 260 HG21 VAL 38 HG21 VAL 38 33.469 11.486 5.298 261 HG22 VAL 38 HG22 VAL 38 34.778 11.556 4.119 262 HG23 VAL 38 HG23 VAL 38 33.895 13.022 4.544 263 H PHE 39 HN PHE 39 37.086 14.833 7.238 264 HA PHE 39 HA PHE 39 37.813 13.603 9.679 265 HB2 PHE 39 HB2 PHE 39 39.163 15.094 7.923 266 HB3 PHE 39 HB1 PHE 39 38.768 16.360 9.086 267 HD1 PHE 39 HD1 PHE 39 40.279 12.961 8.780 268 HD2 PHE 39 HD2 PHE 39 39.927 16.531 11.142 269 HE1 PHE 39 HE1 PHE 39 42.075 12.143 10.283 270 HE2 PHE 39 HE2 PHE 39 41.722 15.713 12.645 271 HZ PHE 39 HZ PHE 39 42.796 13.519 12.215 272 H LEU 40 HN LEU 40 36.480 16.849 9.024 273 HA LEU 40 HA LEU 40 36.171 17.546 11.761 274 HB2 LEU 40 HB2 LEU 40 34.582 18.654 9.443 275 HB3 LEU 40 HB1 LEU 40 34.961 19.450 10.970 276 HG LEU 40 HG LEU 40 36.983 18.617 8.869 277 HD11 LEU 40 HD11 LEU 40 35.968 20.529 7.985 278 HD12 LEU 40 HD12 LEU 40 37.283 21.225 8.931 279 HD13 LEU 40 HD13 LEU 40 35.642 21.213 9.577 280 HD21 LEU 40 HD21 LEU 40 37.191 19.795 11.632 281 HD22 LEU 40 HD22 LEU 40 38.415 20.171 10.421 282 HD23 LEU 40 HD23 LEU 40 38.141 18.499 10.906 283 H LEU 41 HN LEU 41 34.576 15.272 9.926 284 HA LEU 41 HA LEU 41 32.314 15.252 11.814 285 HB2 LEU 41 HB2 LEU 41 32.182 15.166 8.807 286 HB3 LEU 41 HB1 LEU 41 30.910 14.454 9.800 287 HG LEU 41 HG LEU 41 31.796 17.215 10.496 288 HD11 LEU 41 HD11 LEU 41 31.634 17.389 8.074 289 HD12 LEU 41 HD12 LEU 41 30.206 18.137 8.791 290 HD13 LEU 41 HD13 LEU 41 30.096 16.526 8.081 291 HD21 LEU 41 HD21 LEU 41 29.023 16.031 10.235 292 HD22 LEU 41 HD22 LEU 41 29.517 17.431 11.187 293 HD23 LEU 41 HD23 LEU 41 30.010 15.812 11.679 294 H GLY 42 HN GLY 42 34.866 13.725 11.499 295 HA2 GLY 42 HA2 GLY 42 33.651 11.042 11.527 296 HA3 GLY 42 HA1 GLY 42 35.076 11.325 10.532 297 H THR 43 HN THR 43 35.228 13.298 13.211 298 HA THR 43 HA THR 43 36.234 11.433 15.148 299 HB THR 43 HB THR 43 38.141 12.938 13.383 300 HG1 THR 43 HG1 THR 43 37.496 10.402 13.920 301 HG21 THR 43 HG21 THR 43 38.872 13.760 15.458 302 HG22 THR 43 HG22 THR 43 39.842 12.301 15.248 303 HG23 THR 43 HG23 THR 43 38.429 12.277 16.305 304 H THR 44 HN THR 44 36.044 14.744 13.959 305 HA THR 44 HA THR 44 36.567 15.970 16.498 306 HB THR 44 HB THR 44 35.350 17.020 13.937 307 HG1 THR 44 HG1 THR 44 37.763 16.441 14.547 308 HG21 THR 44 HG21 THR 44 34.443 18.419 15.618 309 HG22 THR 44 HG22 THR 44 35.885 19.272 15.066 310 HG23 THR 44 HG23 THR 44 35.922 18.362 16.577 311 H GLY 45 HN GLY 45 33.765 14.678 14.906 312 HA2 GLY 45 HA2 GLY 45 31.611 15.961 15.946 313 HA3 GLY 45 HA1 GLY 45 31.676 14.207 15.801 314 H ASN 46 HN ASN 46 33.211 13.249 17.633 315 HA ASN 46 HA ASN 46 32.119 14.277 20.175 316 HB2 ASN 46 HB2 ASN 46 32.453 12.036 21.046 317 HB3 ASN 46 HB1 ASN 46 31.548 11.943 19.536 318 HD21 ASN 46 HD21 ASN 46 32.919 11.461 17.524 319 HD22 ASN 46 HD22 ASN 46 34.275 10.458 17.718 320 H GLY 47 HN GLY 47 33.987 15.908 19.781 321 HA2 GLY 47 HA2 GLY 47 36.290 14.936 21.335 322 HA3 GLY 47 HA1 GLY 47 36.587 15.761 19.808 323 H LEU 48 HN LEU 48 34.416 17.643 20.058 324 HA LEU 48 HA LEU 48 35.633 19.437 22.049 325 HB2 LEU 48 HB2 LEU 48 34.719 21.255 20.776 326 HB3 LEU 48 HB1 LEU 48 35.486 20.148 19.641 327 HG LEU 48 HG LEU 48 32.920 19.145 19.786 328 HD11 LEU 48 HD11 LEU 48 32.683 22.161 19.646 329 HD12 LEU 48 HD12 LEU 48 32.349 21.248 21.118 330 HD13 LEU 48 HD13 LEU 48 31.377 20.978 19.672 331 HD21 LEU 48 HD21 LEU 48 32.649 20.308 17.560 332 HD22 LEU 48 HD22 LEU 48 34.158 19.413 17.726 333 HD23 LEU 48 HD23 LEU 48 34.152 21.168 17.894 334 H VAL 49 HN VAL 49 32.785 17.654 21.361 335 HA VAL 49 HA VAL 49 30.745 19.076 22.538 336 HB VAL 49 HB VAL 49 29.733 16.892 23.082 337 HG11 VAL 49 HG11 VAL 49 30.495 15.909 20.633 338 HG12 VAL 49 HG12 VAL 49 30.935 17.611 20.486 339 HG13 VAL 49 HG13 VAL 49 29.274 17.158 20.870 340 HG21 VAL 49 HG21 VAL 49 31.582 15.643 23.934 341 HG22 VAL 49 HG22 VAL 49 32.544 15.941 22.487 342 HG23 VAL 49 HG23 VAL 49 31.152 14.860 22.413 343 H LEU 50 HN LEU 50 33.615 18.103 24.019 344 HA LEU 50 HA LEU 50 32.494 17.898 26.704 345 HB2 LEU 50 HB2 LEU 50 35.372 17.853 25.764 346 HB3 LEU 50 HB1 LEU 50 34.812 17.487 27.396 347 HG LEU 50 HG LEU 50 33.237 15.884 25.714 348 HD11 LEU 50 HD11 LEU 50 36.162 15.800 24.911 349 HD12 LEU 50 HD12 LEU 50 34.829 16.327 23.883 350 HD13 LEU 50 HD13 LEU 50 34.928 14.645 24.406 351 HD21 LEU 50 HD21 LEU 50 35.726 15.220 27.321 352 HD22 LEU 50 HD22 LEU 50 34.527 14.047 26.776 353 HD23 LEU 50 HD23 LEU 50 34.079 15.287 27.947 354 H TRP 51 HN TRP 51 32.906 20.410 24.756 355 HA TRP 51 HA TRP 51 33.955 22.197 26.869 356 HB2 TRP 51 HB2 TRP 51 35.394 22.751 25.203 357 HB3 TRP 51 HB1 TRP 51 34.341 22.116 23.943 358 HD1 TRP 51 HD1 TRP 51 34.043 25.038 26.479 359 HE1 TRP 51 HE1 TRP 51 33.187 27.108 25.203 360 HE3 TRP 51 HE3 TRP 51 33.650 23.084 21.777 361 HZ2 TRP 51 HZ2 TRP 51 32.436 27.841 22.544 362 HZ3 TRP 51 HZ3 TRP 51 32.862 24.488 19.894 363 HH2 TRP 51 HH2 TRP 51 32.255 26.861 20.271 364 H THR 52 HN THR 52 31.401 21.650 24.511 365 HA THR 52 HA THR 52 30.005 24.098 25.178 366 HB THR 52 HB THR 52 28.684 23.635 23.385 367 HG1 THR 52 HG1 THR 52 27.527 21.882 23.350 368 HG21 THR 52 HG21 THR 52 30.621 21.402 22.803 369 HG22 THR 52 HG22 THR 52 31.139 23.086 22.791 370 HG23 THR 52 HG23 THR 52 29.887 22.541 21.675 371 H VAL 53 HN VAL 53 29.658 20.637 25.854 372 HA VAL 53 HA VAL 53 27.211 20.698 27.201 373 HB VAL 53 HB VAL 53 29.631 18.920 27.455 374 HG11 VAL 53 HG11 VAL 53 27.071 18.932 29.050 375 HG12 VAL 53 HG12 VAL 53 28.727 18.744 29.628 376 HG13 VAL 53 HG13 VAL 53 27.944 17.429 28.750 377 HG21 VAL 53 HG21 VAL 53 28.132 18.856 25.420 378 HG22 VAL 53 HG22 VAL 53 26.810 18.376 26.484 379 HG23 VAL 53 HG23 VAL 53 28.219 17.331 26.302 380 H PHE 54 HN PHE 54 30.261 21.968 28.113 381 HA PHE 54 HA PHE 54 29.670 21.988 30.966 382 HB2 PHE 54 HB2 PHE 54 32.012 21.798 29.736 383 HB3 PHE 54 HB1 PHE 54 31.916 23.558 29.782 384 HD1 PHE 54 HD2 PHE 54 31.859 20.485 31.872 385 HD2 PHE 54 HD1 PHE 54 32.181 24.768 31.827 386 HE1 PHE 54 HE2 PHE 54 32.529 20.461 34.260 387 HE2 PHE 54 HE1 PHE 54 32.850 24.744 34.215 388 HZ PHE 54 HZ PHE 54 33.024 22.590 35.432 389 H ARG 55 HN ARG 55 28.821 23.821 28.305 390 HA ARG 55 HA ARG 55 28.708 26.354 29.790 391 HB2 ARG 55 HB2 ARG 55 28.209 25.671 26.887 392 HB3 ARG 55 HB1 ARG 55 27.955 27.277 27.573 393 HG2 ARG 55 HG2 ARG 55 30.277 27.481 28.167 394 HG3 ARG 55 HG1 ARG 55 30.583 25.788 27.774 395 HD2 ARG 55 HD2 ARG 55 30.874 26.263 25.592 396 HD3 ARG 55 HD1 ARG 55 29.378 27.190 25.531 397 HE ARG 55 HE ARG 55 31.570 28.578 26.819 398 HH11 ARG 55 HH21 ARG 55 29.951 27.807 23.859 399 HH12 ARG 55 HH22 ARG 55 30.526 29.209 23.019 400 HH21 ARG 55 HH11 ARG 55 32.327 30.419 25.725 401 HH22 ARG 55 HH12 ARG 55 31.871 30.687 24.075 402 H LYS 56 HN LYS 56 26.673 23.846 28.424 403 HA LYS 56 HA LYS 56 24.215 25.307 28.899 404 HB2 LYS 56 HB2 LYS 56 24.433 22.355 28.333 405 HB3 LYS 56 HB1 LYS 56 23.110 23.455 27.944 406 HG2 LYS 56 HG2 LYS 56 25.867 23.398 26.690 407 HG3 LYS 56 HG1 LYS 56 24.330 23.037 25.902 408 HD2 LYS 56 HD2 LYS 56 23.639 25.435 26.565 409 HD3 LYS 56 HD1 LYS 56 25.356 25.707 26.864 410 HE2 LYS 56 HE2 LYS 56 24.792 26.375 24.572 411 HE3 LYS 56 HE1 LYS 56 25.856 24.969 24.546 412 HZ1 LYS 56 HZ1 LYS 56 24.208 23.611 23.829 413 HZ2 LYS 56 HZ2 LYS 56 23.639 25.062 23.152 414 HZ3 LYS 56 HZ3 LYS 56 22.978 24.484 24.606 415 H LYS 57 HN LYS 57 25.206 22.071 30.020 416 HA LYS 57 HA LYS 57 24.580 20.935 31.935 417 HB2 LYS 57 HB2 LYS 57 26.599 22.313 32.554 418 HB3 LYS 57 HB1 LYS 57 25.494 23.508 33.232 419 HG2 LYS 57 HG2 LYS 57 24.640 21.035 34.267 420 HG3 LYS 57 HG1 LYS 57 26.400 21.011 34.383 421 HD2 LYS 57 HD2 LYS 57 26.367 23.189 35.526 422 HD3 LYS 57 HD1 LYS 57 24.609 23.240 35.392 423 HE2 LYS 57 HE2 LYS 57 24.422 21.215 36.762 424 HE3 LYS 57 HE1 LYS 57 26.179 21.101 36.861 425 HZ1 LYS 57 HZ1 LYS 57 26.286 23.104 38.080 426 HZ2 LYS 57 HZ2 LYS 57 25.063 22.174 38.805 427 HZ3 LYS 57 HZ3 LYS 57 24.657 23.470 37.785 428 H GLY 58 HN GLY 58 22.375 22.267 30.734 429 HA2 GLY 58 HA2 GLY 58 20.884 23.551 32.887 430 HA3 GLY 58 HA1 GLY 58 20.335 23.314 31.231 431 H HIS 59 HN HIS 59 21.336 21.262 33.981 432 HA HIS 59 HA HIS 59 18.808 19.782 33.726 433 HB2 HIS 59 HB2 HIS 59 19.851 17.659 33.636 434 HB3 HIS 59 HB1 HIS 59 20.720 18.638 32.455 435 HD2 HIS 59 HD2 HIS 59 22.546 20.183 34.954 436 HE1 HIS 59 HE1 HIS 59 24.105 16.282 35.376 437 HE2 HIS 59 HE2 HIS 59 24.484 18.732 35.929 438 H HIS 60 HN HIS 60 20.930 21.437 35.617 439 HA HIS 60 HA HIS 60 19.631 20.681 38.047 440 HB2 HIS 60 HB2 HIS 60 21.313 18.794 37.650 441 HB3 HIS 60 HB1 HIS 60 22.568 19.998 37.944 442 HD2 HIS 60 HD2 HIS 60 22.669 20.980 40.637 443 HE1 HIS 60 HE1 HIS 60 19.926 18.169 42.185 444 HE2 HIS 60 HE2 HIS 60 21.623 19.956 42.799 445 H HIS 61 HN HIS 61 19.310 22.981 37.910 446 HA HIS 61 HA HIS 61 21.694 24.646 38.328 447 HB2 HIS 61 HB2 HIS 61 19.285 25.042 36.938 448 HB3 HIS 61 HB1 HIS 61 19.194 26.096 38.348 449 HD2 HIS 61 HD2 HIS 61 22.311 25.329 35.965 450 HE1 HIS 61 HE1 HIS 61 21.866 29.505 36.401 451 HE2 HIS 61 HE2 HIS 61 23.279 27.675 35.351 452 H HIS 62 HN HIS 62 21.799 26.139 40.086 453 HA HIS 62 HA HIS 62 21.089 25.044 42.590 454 HB2 HIS 62 HB2 HIS 62 22.726 26.484 43.119 455 HB3 HIS 62 HB1 HIS 62 22.523 27.360 41.602 456 HD2 HIS 62 HD2 HIS 62 21.804 27.880 45.329 457 HE1 HIS 62 HE1 HIS 62 19.508 30.768 43.278 458 HE2 HIS 62 HE2 HIS 62 20.348 30.035 45.559 459 H HIS 63 HN HIS 63 19.769 26.159 44.254 460 HA HIS 63 HA HIS 63 17.734 28.009 43.538 461 HB2 HIS 63 HB2 HIS 63 16.902 26.001 42.312 462 HB3 HIS 63 HB1 HIS 63 16.812 25.144 43.850 463 HD2 HIS 63 HD2 HIS 63 15.474 28.801 42.961 464 HE1 HIS 63 HE1 HIS 63 12.366 26.562 44.739 465 HE2 HIS 63 HE2 HIS 63 13.000 28.835 43.798 466 H HIS 64 HN HIS 64 19.590 27.801 45.623 467 HA HIS 64 HA HIS 64 19.803 27.712 47.927 468 HB2 HIS 64 HB2 HIS 64 18.295 29.721 47.349 469 HB3 HIS 64 HB1 HIS 64 16.967 28.725 47.945 470 HD2 HIS 64 HD2 HIS 64 19.170 27.455 50.382 471 HE1 HIS 64 HE1 HIS 64 18.653 31.376 51.861 472 HE2 HIS 64 HE2 HIS 64 19.438 29.033 52.445 Start of MODEL 31 1 H1 MET 1 HT1 MET 1 71.225 41.262 5.085 2 H2 MET 1 HT2 MET 1 72.708 41.204 4.257 3 H3 MET 1 HT3 MET 1 72.675 41.511 5.928 4 HA MET 1 HA MET 1 73.354 39.252 5.574 5 HB2 MET 1 HB2 MET 1 71.790 39.865 7.476 6 HB3 MET 1 HB1 MET 1 70.461 39.283 6.472 7 HG2 MET 1 HG2 MET 1 71.576 37.073 6.304 8 HG3 MET 1 HG1 MET 1 72.867 37.659 7.354 9 HE1 MET 1 HE1 MET 1 69.215 37.245 6.791 10 HE2 MET 1 HE2 MET 1 68.529 36.689 8.316 11 HE3 MET 1 HE3 MET 1 69.602 35.632 7.402 12 H GLU 2 HN GLU 2 73.278 39.376 3.079 13 HA GLU 2 HA GLU 2 70.956 38.010 1.931 14 HB2 GLU 2 HB2 GLU 2 73.452 39.083 0.592 15 HB3 GLU 2 HB1 GLU 2 72.011 38.477 -0.227 16 HG2 GLU 2 HG2 GLU 2 70.663 40.261 0.632 17 HG3 GLU 2 HG1 GLU 2 71.931 40.767 1.748 18 H GLU 3 HN GLU 3 71.100 35.901 2.636 19 HA GLU 3 HA GLU 3 73.408 34.341 2.836 20 HB2 GLU 3 HB2 GLU 3 70.507 33.675 2.398 21 HB3 GLU 3 HB1 GLU 3 71.731 32.405 2.428 22 HG2 GLU 3 HG2 GLU 3 71.827 34.418 4.620 23 HG3 GLU 3 HG1 GLU 3 70.497 33.259 4.658 24 H GLY 4 HN GLY 4 73.917 32.412 1.451 25 HA2 GLY 4 HA2 GLY 4 74.821 33.110 -1.051 26 HA3 GLY 4 HA1 GLY 4 74.474 31.450 -0.573 27 H GLY 5 HN GLY 5 71.591 32.343 -0.103 28 HA2 GLY 5 HA2 GLY 5 70.145 33.331 -2.097 29 HA3 GLY 5 HA1 GLY 5 70.698 31.832 -2.838 30 H ASP 6 HN ASP 6 67.970 32.670 -2.121 31 HA ASP 6 HA ASP 6 66.895 31.582 0.156 32 HB2 ASP 6 HB2 ASP 6 65.927 32.378 -2.399 33 HB3 ASP 6 HB1 ASP 6 65.203 30.818 -2.012 34 H PHE 7 HN PHE 7 67.719 29.868 -2.846 35 HA PHE 7 HA PHE 7 67.788 27.359 -1.307 36 HB2 PHE 7 HB2 PHE 7 66.580 26.156 -3.001 37 HB3 PHE 7 HB1 PHE 7 65.605 27.555 -2.547 38 HD1 PHE 7 HD1 PHE 7 65.845 29.694 -3.972 39 HD2 PHE 7 HD2 PHE 7 67.224 25.830 -5.243 40 HE1 PHE 7 HE1 PHE 7 65.866 30.476 -6.325 41 HE2 PHE 7 HE2 PHE 7 67.245 26.611 -7.597 42 HZ PHE 7 HZ PHE 7 66.566 28.935 -8.138 43 H ASP 8 HN ASP 8 69.764 26.540 -1.508 44 HA ASP 8 HA ASP 8 70.993 26.165 -4.069 45 HB2 ASP 8 HB2 ASP 8 71.677 28.515 -2.492 46 HB3 ASP 8 HB1 ASP 8 73.079 27.493 -2.804 47 H ASN 9 HN ASN 9 73.502 25.555 -3.500 48 HA ASN 9 HA ASN 9 74.757 23.797 -2.703 49 HB2 ASN 9 HB2 ASN 9 74.619 25.608 -0.800 50 HB3 ASN 9 HB1 ASN 9 73.678 24.369 0.028 51 HD21 ASN 9 HD21 ASN 9 74.772 22.289 0.489 52 HD22 ASN 9 HD22 ASN 9 76.468 22.201 0.510 53 H TYR 10 HN TYR 10 71.647 23.488 -3.084 54 HA TYR 10 HA TYR 10 71.624 20.684 -2.361 55 HB2 TYR 10 HB2 TYR 10 69.656 22.602 -1.089 56 HB3 TYR 10 HB1 TYR 10 69.540 20.843 -1.030 57 HD1 TYR 10 HD2 TYR 10 71.728 19.600 -0.206 58 HD2 TYR 10 HD1 TYR 10 70.792 23.708 0.633 59 HE1 TYR 10 HE2 TYR 10 73.275 19.558 1.732 60 HE2 TYR 10 HE1 TYR 10 72.339 23.666 2.568 61 HH TYR 10 HH TYR 10 73.248 21.708 4.152 62 H TYR 11 HN TYR 11 69.847 23.497 -3.567 63 HA TYR 11 HA TYR 11 68.301 23.728 -5.253 64 HB2 TYR 11 HB2 TYR 11 70.115 23.079 -6.688 65 HB3 TYR 11 HB1 TYR 11 69.905 21.377 -6.274 66 HD1 TYR 11 HD1 TYR 11 68.076 24.285 -7.764 67 HD2 TYR 11 HD2 TYR 11 68.501 20.015 -7.574 68 HE1 TYR 11 HE1 TYR 11 66.432 24.039 -9.604 69 HE2 TYR 11 HE2 TYR 11 66.858 19.769 -9.415 70 HH TYR 11 HH TYR 11 65.350 22.630 -10.924 71 H GLY 12 HN GLY 12 68.467 20.269 -5.778 72 HA2 GLY 12 HA2 GLY 12 65.655 19.937 -5.621 73 HA3 GLY 12 HA1 GLY 12 66.843 18.639 -5.684 74 H ALA 13 HN ALA 13 68.094 18.336 -3.564 75 HA ALA 13 HA ALA 13 68.099 17.829 -1.322 76 HB1 ALA 13 HB1 ALA 13 67.244 20.380 -1.371 77 HB2 ALA 13 HB2 ALA 13 67.368 19.443 0.117 78 HB3 ALA 13 HB3 ALA 13 65.810 19.609 -0.693 79 H ASP 14 HN ASP 14 66.512 16.321 -3.165 80 HA ASP 14 HA ASP 14 64.754 14.827 -3.265 81 HB2 ASP 14 HB2 ASP 14 64.878 13.266 -1.583 82 HB3 ASP 14 HB1 ASP 14 66.374 14.146 -1.271 83 H ASN 15 HN ASN 15 64.186 17.725 -2.410 84 HA ASN 15 HA ASN 15 61.800 17.459 -0.776 85 HB2 ASN 15 HB2 ASN 15 63.033 19.451 -0.396 86 HB3 ASN 15 HB1 ASN 15 63.166 19.788 -2.122 87 HD21 ASN 15 HD21 ASN 15 60.207 18.765 -0.377 88 HD22 ASN 15 HD22 ASN 15 59.338 20.185 -0.707 89 H GLN 16 HN GLN 16 62.596 18.267 -4.143 90 HA GLN 16 HA GLN 16 59.737 18.122 -4.831 91 HB2 GLN 16 HB2 GLN 16 62.045 19.017 -6.568 92 HB3 GLN 16 HB1 GLN 16 60.324 19.228 -6.891 93 HG2 GLN 16 HG2 GLN 16 60.715 20.320 -4.339 94 HG3 GLN 16 HG1 GLN 16 62.101 20.867 -5.281 95 HE21 GLN 16 HE21 GLN 16 58.895 21.627 -4.551 96 HE22 GLN 16 HE22 GLN 16 58.562 22.623 -5.886 97 H SER 17 HN SER 17 60.963 15.698 -4.173 98 HA SER 17 HA SER 17 60.829 14.329 -6.776 99 HB2 SER 17 HB2 SER 17 63.118 14.191 -6.574 100 HB3 SER 17 HB1 SER 17 63.077 14.277 -4.815 101 HG SER 17 HG SER 17 63.338 12.137 -6.258 102 H GLU 18 HN GLU 18 59.400 12.721 -6.719 103 HA GLU 18 HA GLU 18 57.750 11.351 -5.843 104 HB2 GLU 18 HB2 GLU 18 60.011 10.088 -5.730 105 HB3 GLU 18 HB1 GLU 18 59.904 10.364 -3.991 106 HG2 GLU 18 HG2 GLU 18 57.577 9.362 -4.080 107 HG3 GLU 18 HG1 GLU 18 57.924 8.889 -5.742 108 H CYS 19 HN CYS 19 57.461 13.804 -4.706 109 HA CYS 19 HA CYS 19 57.262 13.389 -1.803 110 HB2 CYS 19 HB2 CYS 19 58.290 15.490 -2.697 111 HB3 CYS 19 HB1 CYS 19 56.726 15.903 -3.400 112 HG CYS 19 HG CYS 19 57.337 15.801 -0.347 113 H GLU 20 HN GLU 20 55.523 11.759 -3.012 114 HA GLU 20 HA GLU 20 53.300 11.217 -3.286 115 HB2 GLU 20 HB2 GLU 20 53.063 13.309 -1.109 116 HB3 GLU 20 HB1 GLU 20 51.809 12.147 -1.542 117 HG2 GLU 20 HG2 GLU 20 52.782 10.568 -0.273 118 HG3 GLU 20 HG1 GLU 20 54.295 10.753 -1.159 119 H TYR 21 HN TYR 21 54.240 13.103 -5.160 120 HA TYR 21 HA TYR 21 51.976 14.972 -5.458 121 HB2 TYR 21 HB2 TYR 21 53.353 16.329 -6.775 122 HB3 TYR 21 HB1 TYR 21 54.463 15.723 -5.544 123 HD1 TYR 21 HD1 TYR 21 55.783 13.563 -6.095 124 HD2 TYR 21 HD2 TYR 21 53.800 15.962 -9.056 125 HE1 TYR 21 HE1 TYR 21 57.192 12.545 -7.863 126 HE2 TYR 21 HE2 TYR 21 55.209 14.944 -10.824 127 HH TYR 21 HH TYR 21 57.791 13.721 -10.638 128 H THR 22 HN THR 22 52.217 11.971 -6.111 129 HA THR 22 HA THR 22 51.028 12.206 -8.790 130 HB THR 22 HB THR 22 52.422 10.674 -9.796 131 HG1 THR 22 HG1 THR 22 52.003 9.174 -7.974 132 HG21 THR 22 HG21 THR 22 53.750 12.660 -9.021 133 HG22 THR 22 HG22 THR 22 54.720 11.204 -9.245 134 HG23 THR 22 HG23 THR 22 54.255 11.713 -7.621 135 H ASP 23 HN ASP 23 51.610 10.227 -5.915 136 HA ASP 23 HA ASP 23 49.712 8.207 -6.495 137 HB2 ASP 23 HB2 ASP 23 51.381 7.803 -4.813 138 HB3 ASP 23 HB1 ASP 23 50.852 9.200 -3.877 139 H TRP 24 HN TRP 24 49.433 10.737 -3.992 140 HA TRP 24 HA TRP 24 46.761 10.516 -3.431 141 HB2 TRP 24 HB2 TRP 24 46.844 12.727 -2.566 142 HB3 TRP 24 HB1 TRP 24 48.475 12.085 -2.375 143 HD1 TRP 24 HD1 TRP 24 49.936 12.537 -4.901 144 HE1 TRP 24 HE1 TRP 24 50.249 14.851 -5.993 145 HE3 TRP 24 HE3 TRP 24 46.061 15.066 -2.740 146 HZ2 TRP 24 HZ2 TRP 24 49.020 17.433 -5.956 147 HZ3 TRP 24 HZ3 TRP 24 45.655 17.449 -3.285 148 HH2 TRP 24 HH2 TRP 24 47.129 18.635 -4.889 149 H LYS 25 HN LYS 25 48.246 12.246 -6.138 150 HA LYS 25 HA LYS 25 47.312 13.385 -7.903 151 HB2 LYS 25 HB2 LYS 25 47.113 10.872 -8.367 152 HB3 LYS 25 HB1 LYS 25 45.411 11.045 -7.951 153 HG2 LYS 25 HG2 LYS 25 45.070 11.654 -10.093 154 HG3 LYS 25 HG1 LYS 25 45.860 13.170 -9.676 155 HD2 LYS 25 HD2 LYS 25 47.343 10.708 -10.653 156 HD3 LYS 25 HD1 LYS 25 46.842 12.036 -11.696 157 HE2 LYS 25 HE2 LYS 25 48.745 12.216 -9.343 158 HE3 LYS 25 HE1 LYS 25 49.150 12.408 -11.047 159 HZ1 LYS 25 HZ1 LYS 25 48.721 14.551 -10.799 160 HZ2 LYS 25 HZ2 LYS 25 48.119 14.322 -9.227 161 HZ3 LYS 25 HZ3 LYS 25 47.086 14.165 -10.566 162 H SER 26 HN SER 26 44.298 12.430 -8.364 163 HA SER 26 HA SER 26 42.831 13.876 -6.374 164 HB2 SER 26 HB2 SER 26 43.509 15.223 -8.973 165 HB3 SER 26 HB1 SER 26 41.999 15.587 -8.143 166 HG SER 26 HG SER 26 44.430 16.505 -7.624 167 H SER 27 HN SER 27 41.111 12.584 -6.254 168 HA SER 27 HA SER 27 40.196 10.873 -8.286 169 HB2 SER 27 HB2 SER 27 38.835 11.969 -5.822 170 HB3 SER 27 HB1 SER 27 38.084 10.780 -6.881 171 HG SER 27 HG SER 27 40.051 9.519 -6.539 172 H GLY 28 HN GLY 28 40.075 14.182 -8.186 173 HA2 GLY 28 HA2 GLY 28 39.079 15.049 -10.367 174 HA3 GLY 28 HA1 GLY 28 37.584 14.335 -9.771 175 H ALA 29 HN ALA 29 39.973 15.941 -7.746 176 HA ALA 29 HA ALA 29 39.943 17.995 -6.676 177 HB1 ALA 29 HB1 ALA 29 38.734 19.740 -7.539 178 HB2 ALA 29 HB2 ALA 29 37.285 18.764 -7.772 179 HB3 ALA 29 HB3 ALA 29 38.624 18.642 -8.913 180 H LEU 30 HN LEU 30 38.569 15.439 -5.896 181 HA LEU 30 HA LEU 30 36.492 16.488 -4.088 182 HB2 LEU 30 HB2 LEU 30 37.116 13.790 -5.227 183 HB3 LEU 30 HB1 LEU 30 36.276 13.879 -3.681 184 HG LEU 30 HG LEU 30 34.747 13.766 -5.687 185 HD11 LEU 30 HD11 LEU 30 34.554 15.384 -3.389 186 HD12 LEU 30 HD12 LEU 30 33.231 14.853 -4.426 187 HD13 LEU 30 HD13 LEU 30 34.016 16.402 -4.724 188 HD21 LEU 30 HD21 LEU 30 34.653 15.502 -7.258 189 HD22 LEU 30 HD22 LEU 30 36.387 15.323 -6.991 190 HD23 LEU 30 HD23 LEU 30 35.504 16.632 -6.205 191 H ILE 31 HN ILE 31 39.565 16.586 -3.883 192 HA ILE 31 HA ILE 31 40.143 14.975 -1.562 193 HB ILE 31 HB ILE 31 41.820 17.267 -2.568 194 HG12 ILE 31 HG12 ILE 31 42.845 14.977 -3.717 195 HG13 ILE 31 HG11 ILE 31 41.107 14.739 -3.896 196 HG21 ILE 31 HG21 ILE 31 42.496 14.609 -1.278 197 HG22 ILE 31 HG22 ILE 31 42.418 16.150 -0.425 198 HG23 ILE 31 HG23 ILE 31 43.635 15.895 -1.676 199 HD11 ILE 31 HD11 ILE 31 41.041 17.154 -4.780 200 HD12 ILE 31 HD12 ILE 31 41.753 15.940 -5.839 201 HD13 ILE 31 HD13 ILE 31 42.793 17.026 -4.918 202 HA PRO 32 HA PRO 32 39.704 19.128 0.677 203 HB2 PRO 32 HB2 PRO 32 38.429 21.191 -0.541 204 HB3 PRO 32 HB1 PRO 32 40.153 20.860 -0.780 205 HG2 PRO 32 HG2 PRO 32 37.890 20.434 -2.605 206 HG3 PRO 32 HG1 PRO 32 39.606 20.673 -2.964 207 HD2 PRO 32 HD2 PRO 32 38.171 18.194 -2.903 208 HD3 PRO 32 HD1 PRO 32 39.909 18.429 -3.174 209 H ALA 33 HN ALA 33 37.597 17.044 -0.151 210 HA ALA 33 HA ALA 33 35.387 18.242 1.385 211 HB1 ALA 33 HB1 ALA 33 33.826 16.950 -0.194 212 HB2 ALA 33 HB2 ALA 33 35.202 16.872 -1.294 213 HB3 ALA 33 HB3 ALA 33 34.545 18.436 -0.815 214 H ILE 34 HN ILE 34 37.044 15.370 0.200 215 HA ILE 34 HA ILE 34 35.556 13.643 2.029 216 HB ILE 34 HB ILE 34 37.738 13.049 0.017 217 HG12 ILE 34 HG12 ILE 34 34.806 12.291 -0.022 218 HG13 ILE 34 HG11 ILE 34 35.427 13.746 -0.803 219 HG21 ILE 34 HG21 ILE 34 36.438 11.432 2.138 220 HG22 ILE 34 HG22 ILE 34 38.014 11.228 1.374 221 HG23 ILE 34 HG23 ILE 34 36.556 10.667 0.554 222 HD11 ILE 34 HD11 ILE 34 37.018 12.310 -2.098 223 HD12 ILE 34 HD12 ILE 34 35.325 11.964 -2.453 224 HD13 ILE 34 HD13 ILE 34 36.242 10.888 -1.399 225 H TYR 35 HN TYR 35 38.999 14.330 1.358 226 HA TYR 35 HA TYR 35 39.970 13.121 3.723 227 HB2 TYR 35 HB2 TYR 35 41.390 13.586 1.759 228 HB3 TYR 35 HB1 TYR 35 41.229 15.316 2.059 229 HD1 TYR 35 HD2 TYR 35 42.303 12.132 3.710 230 HD2 TYR 35 HD1 TYR 35 42.715 16.404 3.517 231 HE1 TYR 35 HE2 TYR 35 44.174 12.026 5.336 232 HE2 TYR 35 HE1 TYR 35 44.586 16.297 5.142 233 HH TYR 35 HH TYR 35 45.376 13.359 6.841 234 H MET 36 HN MET 36 38.322 16.054 3.204 235 HA MET 36 HA MET 36 39.434 17.387 5.548 236 HB2 MET 36 HB2 MET 36 37.505 18.131 3.383 237 HB3 MET 36 HB1 MET 36 37.483 19.030 4.899 238 HG2 MET 36 HG2 MET 36 39.833 19.591 4.665 239 HG3 MET 36 HG1 MET 36 39.976 18.561 3.241 240 HE1 MET 36 HE1 MET 36 38.212 21.261 4.975 241 HE2 MET 36 HE2 MET 36 37.715 22.461 3.785 242 HE3 MET 36 HE3 MET 36 39.408 22.347 4.256 243 H LEU 37 HN LEU 37 36.120 16.560 4.492 244 HA LEU 37 HA LEU 37 35.081 16.721 7.157 245 HB2 LEU 37 HB2 LEU 37 33.777 15.361 4.797 246 HB3 LEU 37 HB1 LEU 37 32.992 16.082 6.202 247 HG LEU 37 HG LEU 37 34.571 17.572 4.084 248 HD11 LEU 37 HD11 LEU 37 32.070 16.648 3.794 249 HD12 LEU 37 HD12 LEU 37 32.558 18.224 3.170 250 HD13 LEU 37 HD13 LEU 37 31.703 18.111 4.709 251 HD21 LEU 37 HD21 LEU 37 34.932 18.834 6.013 252 HD22 LEU 37 HD22 LEU 37 33.398 18.353 6.737 253 HD23 LEU 37 HD23 LEU 37 33.423 19.533 5.426 254 H VAL 38 HN VAL 38 37.296 14.945 7.019 255 HA VAL 38 HA VAL 38 35.978 12.474 7.925 256 HB VAL 38 HB VAL 38 38.213 12.701 5.917 257 HG11 VAL 38 HG11 VAL 38 37.551 10.463 7.828 258 HG12 VAL 38 HG12 VAL 38 39.131 11.137 7.425 259 HG13 VAL 38 HG13 VAL 38 38.280 10.127 6.257 260 HG21 VAL 38 HG21 VAL 38 36.803 11.329 4.573 261 HG22 VAL 38 HG22 VAL 38 35.724 12.524 5.295 262 HG23 VAL 38 HG23 VAL 38 35.793 10.887 5.949 263 H PHE 39 HN PHE 39 38.401 14.871 8.240 264 HA PHE 39 HA PHE 39 39.771 13.359 10.370 265 HB2 PHE 39 HB2 PHE 39 41.476 14.181 9.061 266 HB3 PHE 39 HB1 PHE 39 40.555 15.601 8.565 267 HD1 PHE 39 HD1 PHE 39 41.487 14.154 11.901 268 HD2 PHE 39 HD2 PHE 39 41.603 17.560 9.287 269 HE1 PHE 39 HE1 PHE 39 42.586 15.484 13.683 270 HE2 PHE 39 HE2 PHE 39 42.699 18.891 11.068 271 HZ PHE 39 HZ PHE 39 43.192 17.853 13.266 272 H LEU 40 HN LEU 40 38.534 16.646 9.718 273 HA LEU 40 HA LEU 40 38.345 17.139 12.598 274 HB2 LEU 40 HB2 LEU 40 37.795 19.454 11.919 275 HB3 LEU 40 HB1 LEU 40 39.317 18.905 11.215 276 HG LEU 40 HG LEU 40 37.243 18.137 9.427 277 HD11 LEU 40 HD11 LEU 40 37.121 21.065 10.213 278 HD12 LEU 40 HD12 LEU 40 35.872 19.871 10.573 279 HD13 LEU 40 HD13 LEU 40 36.226 20.302 8.900 280 HD21 LEU 40 HD21 LEU 40 39.308 20.359 9.292 281 HD22 LEU 40 HD22 LEU 40 38.456 19.672 7.909 282 HD23 LEU 40 HD23 LEU 40 39.577 18.676 8.838 283 H LEU 41 HN LEU 41 36.509 15.438 10.689 284 HA LEU 41 HA LEU 41 34.035 16.273 12.012 285 HB2 LEU 41 HB2 LEU 41 34.185 17.375 9.717 286 HB3 LEU 41 HB1 LEU 41 34.065 15.751 9.039 287 HG LEU 41 HG LEU 41 31.998 15.591 10.710 288 HD11 LEU 41 HD11 LEU 41 31.735 18.471 9.931 289 HD12 LEU 41 HD12 LEU 41 32.671 18.071 11.371 290 HD13 LEU 41 HD13 LEU 41 30.975 17.600 11.261 291 HD21 LEU 41 HD21 LEU 41 31.943 17.067 8.058 292 HD22 LEU 41 HD22 LEU 41 30.551 16.309 8.829 293 HD23 LEU 41 HD23 LEU 41 31.893 15.317 8.263 294 H GLY 42 HN GLY 42 35.741 13.937 9.983 295 HA2 GLY 42 HA2 GLY 42 34.036 11.811 9.869 296 HA3 GLY 42 HA1 GLY 42 35.771 11.625 10.107 297 H THR 43 HN THR 43 35.807 12.960 12.686 298 HA THR 43 HA THR 43 34.185 11.172 14.368 299 HB THR 43 HB THR 43 36.501 10.197 13.965 300 HG1 THR 43 HG1 THR 43 35.031 10.166 15.996 301 HG21 THR 43 HG21 THR 43 37.547 12.550 14.089 302 HG22 THR 43 HG22 THR 43 38.396 11.245 14.918 303 HG23 THR 43 HG23 THR 43 37.409 12.379 15.839 304 H THR 44 HN THR 44 36.262 14.003 14.077 305 HA THR 44 HA THR 44 35.722 15.017 16.700 306 HB THR 44 HB THR 44 36.886 16.231 14.196 307 HG1 THR 44 HG1 THR 44 38.736 16.214 15.524 308 HG21 THR 44 HG21 THR 44 37.504 18.128 15.840 309 HG22 THR 44 HG22 THR 44 36.181 17.513 16.831 310 HG23 THR 44 HG23 THR 44 35.860 18.105 15.201 311 H GLY 45 HN GLY 45 33.874 14.797 13.897 312 HA2 GLY 45 HA2 GLY 45 32.385 17.254 14.183 313 HA3 GLY 45 HA1 GLY 45 31.996 15.912 13.111 314 H ASN 46 HN ASN 46 32.586 15.042 16.362 315 HA ASN 46 HA ASN 46 29.873 15.368 17.301 316 HB2 ASN 46 HB2 ASN 46 29.071 13.437 16.491 317 HB3 ASN 46 HB1 ASN 46 30.666 12.940 15.926 318 HD21 ASN 46 HD21 ASN 46 32.083 11.810 17.517 319 HD22 ASN 46 HD22 ASN 46 31.386 11.009 18.842 320 H GLY 47 HN GLY 47 30.071 15.783 19.395 321 HA2 GLY 47 HA2 GLY 47 30.622 15.023 21.621 322 HA3 GLY 47 HA1 GLY 47 32.094 14.311 20.967 323 H LEU 48 HN LEU 48 33.054 16.404 19.425 324 HA LEU 48 HA LEU 48 33.734 18.392 21.504 325 HB2 LEU 48 HB2 LEU 48 35.304 17.749 18.996 326 HB3 LEU 48 HB1 LEU 48 35.823 18.731 20.359 327 HG LEU 48 HG LEU 48 36.868 16.573 20.596 328 HD11 LEU 48 HD11 LEU 48 36.223 16.051 22.793 329 HD12 LEU 48 HD12 LEU 48 34.524 16.411 22.480 330 HD13 LEU 48 HD13 LEU 48 35.695 17.724 22.606 331 HD21 LEU 48 HD21 LEU 48 34.371 15.020 20.896 332 HD22 LEU 48 HD22 LEU 48 35.887 14.573 20.117 333 HD23 LEU 48 HD23 LEU 48 34.707 15.548 19.248 334 H VAL 49 HN VAL 49 31.343 18.776 20.206 335 HA VAL 49 HA VAL 49 31.948 21.164 18.582 336 HB VAL 49 HB VAL 49 30.018 20.621 17.123 337 HG11 VAL 49 HG11 VAL 49 31.127 18.726 15.920 338 HG12 VAL 49 HG12 VAL 49 32.193 18.513 17.310 339 HG13 VAL 49 HG13 VAL 49 32.254 20.006 16.372 340 HG21 VAL 49 HG21 VAL 49 30.028 18.096 18.796 341 HG22 VAL 49 HG22 VAL 49 29.239 18.194 17.222 342 HG23 VAL 49 HG23 VAL 49 28.691 19.220 18.549 343 H LEU 50 HN LEU 50 30.759 20.103 21.367 344 HA LEU 50 HA LEU 50 28.699 22.220 21.492 345 HB2 LEU 50 HB2 LEU 50 28.572 19.489 22.793 346 HB3 LEU 50 HB1 LEU 50 27.412 20.794 23.046 347 HG LEU 50 HG LEU 50 27.677 20.511 20.245 348 HD11 LEU 50 HD11 LEU 50 27.099 18.149 19.903 349 HD12 LEU 50 HD12 LEU 50 27.233 17.850 21.635 350 HD13 LEU 50 HD13 LEU 50 28.667 18.279 20.701 351 HD21 LEU 50 HD21 LEU 50 25.531 19.645 22.207 352 HD22 LEU 50 HD22 LEU 50 25.296 19.736 20.462 353 HD23 LEU 50 HD23 LEU 50 25.641 21.200 21.383 354 H TRP 51 HN TRP 51 31.628 21.132 22.561 355 HA TRP 51 HA TRP 51 31.313 22.307 25.252 356 HB2 TRP 51 HB2 TRP 51 32.394 20.414 25.833 357 HB3 TRP 51 HB1 TRP 51 32.886 20.086 24.171 358 HD1 TRP 51 HD1 TRP 51 33.874 22.372 27.122 359 HE1 TRP 51 HE1 TRP 51 36.407 22.833 26.969 360 HE3 TRP 51 HE3 TRP 51 34.945 19.979 22.740 361 HZ2 TRP 51 HZ2 TRP 51 38.596 22.263 25.220 362 HZ3 TRP 51 HZ3 TRP 51 37.260 19.954 21.854 363 HH2 TRP 51 HH2 TRP 51 39.085 21.092 23.088 364 H THR 52 HN THR 52 33.120 22.486 22.242 365 HA THR 52 HA THR 52 34.753 24.695 23.256 366 HB THR 52 HB THR 52 35.562 22.739 21.722 367 HG1 THR 52 HG1 THR 52 36.104 25.480 21.564 368 HG21 THR 52 HG21 THR 52 35.212 22.972 19.411 369 HG22 THR 52 HG22 THR 52 34.683 24.648 19.567 370 HG23 THR 52 HG23 THR 52 33.626 23.338 20.091 371 H VAL 53 HN VAL 53 31.831 24.181 21.596 372 HA VAL 53 HA VAL 53 31.912 26.751 20.200 373 HB VAL 53 HB VAL 53 29.945 24.467 20.261 374 HG11 VAL 53 HG11 VAL 53 28.488 26.320 20.190 375 HG12 VAL 53 HG12 VAL 53 28.754 25.942 18.489 376 HG13 VAL 53 HG13 VAL 53 29.617 27.284 19.239 377 HG21 VAL 53 HG21 VAL 53 32.117 24.601 18.808 378 HG22 VAL 53 HG22 VAL 53 31.209 25.781 17.863 379 HG23 VAL 53 HG23 VAL 53 30.605 24.132 18.031 380 H PHE 54 HN PHE 54 30.892 25.437 23.181 381 HA PHE 54 HA PHE 54 28.822 27.426 23.659 382 HB2 PHE 54 HB2 PHE 54 29.955 25.114 25.199 383 HB3 PHE 54 HB1 PHE 54 29.010 26.346 26.035 384 HD1 PHE 54 HD2 PHE 54 28.834 24.490 22.772 385 HD2 PHE 54 HD1 PHE 54 26.741 25.858 26.265 386 HE1 PHE 54 HE2 PHE 54 26.746 23.449 21.929 387 HE2 PHE 54 HE1 PHE 54 24.655 24.817 25.424 388 HZ PHE 54 HZ PHE 54 24.657 23.614 23.256 389 H ARG 55 HN ARG 55 32.160 27.345 23.774 390 HA ARG 55 HA ARG 55 32.385 29.197 26.038 391 HB2 ARG 55 HB2 ARG 55 34.757 28.466 24.398 392 HB3 ARG 55 HB1 ARG 55 34.603 28.632 26.146 393 HG2 ARG 55 HG2 ARG 55 33.574 26.328 24.462 394 HG3 ARG 55 HG1 ARG 55 34.925 26.278 25.594 395 HD2 ARG 55 HD2 ARG 55 32.966 27.255 27.209 396 HD3 ARG 55 HD1 ARG 55 32.013 26.243 26.128 397 HE ARG 55 HE ARG 55 34.055 24.601 26.818 398 HH11 ARG 55 HH21 ARG 55 31.909 26.641 28.608 399 HH12 ARG 55 HH22 ARG 55 31.921 25.645 30.024 400 HH21 ARG 55 HH11 ARG 55 34.076 23.289 28.671 401 HH22 ARG 55 HH12 ARG 55 33.147 23.746 30.060 402 H LYS 56 HN LYS 56 33.117 29.037 22.561 403 HA LYS 56 HA LYS 56 34.015 31.733 22.358 404 HB2 LYS 56 HB2 LYS 56 33.859 31.397 19.951 405 HB3 LYS 56 HB1 LYS 56 34.567 29.966 20.702 406 HG2 LYS 56 HG2 LYS 56 32.970 28.771 19.641 407 HG3 LYS 56 HG1 LYS 56 31.827 29.471 20.786 408 HD2 LYS 56 HD2 LYS 56 30.948 29.941 18.612 409 HD3 LYS 56 HD1 LYS 56 31.639 31.455 19.196 410 HE2 LYS 56 HE2 LYS 56 33.783 30.177 17.950 411 HE3 LYS 56 HE1 LYS 56 32.413 29.840 16.892 412 HZ1 LYS 56 HZ1 LYS 56 32.234 31.977 16.308 413 HZ2 LYS 56 HZ2 LYS 56 33.832 32.116 16.866 414 HZ3 LYS 56 HZ3 LYS 56 32.537 32.551 17.875 415 H LYS 57 HN LYS 57 30.926 30.348 22.703 416 HA LYS 57 HA LYS 57 29.292 32.068 21.218 417 HB2 LYS 57 HB2 LYS 57 28.444 30.050 22.329 418 HB3 LYS 57 HB1 LYS 57 28.733 30.788 23.904 419 HG2 LYS 57 HG2 LYS 57 27.165 32.497 22.109 420 HG3 LYS 57 HG1 LYS 57 26.374 30.963 22.471 421 HD2 LYS 57 HD2 LYS 57 26.654 31.360 24.878 422 HD3 LYS 57 HD1 LYS 57 27.498 32.873 24.542 423 HE2 LYS 57 HE2 LYS 57 25.106 33.250 25.101 424 HE3 LYS 57 HE1 LYS 57 25.495 33.785 23.466 425 HZ1 LYS 57 HZ1 LYS 57 23.475 32.532 23.416 426 HZ2 LYS 57 HZ2 LYS 57 24.194 31.231 24.238 427 HZ3 LYS 57 HZ3 LYS 57 24.686 31.618 22.658 428 H GLY 58 HN GLY 58 31.113 32.612 24.112 429 HA2 GLY 58 HA2 GLY 58 29.648 34.869 25.082 430 HA3 GLY 58 HA1 GLY 58 31.289 34.419 25.538 431 H HIS 59 HN HIS 59 30.052 35.133 22.296 432 HA HIS 59 HA HIS 59 31.587 37.642 22.261 433 HB2 HIS 59 HB2 HIS 59 32.757 37.088 20.269 434 HB3 HIS 59 HB1 HIS 59 32.958 35.699 21.337 435 HD2 HIS 59 HD2 HIS 59 29.915 34.375 20.654 436 HE1 HIS 59 HE1 HIS 59 31.451 34.154 16.728 437 HE2 HIS 59 HE2 HIS 59 29.646 33.292 18.294 438 H HIS 60 HN HIS 60 28.910 35.742 21.296 439 HA HIS 60 HA HIS 60 28.025 37.766 19.347 440 HB2 HIS 60 HB2 HIS 60 27.929 35.009 19.253 441 HB3 HIS 60 HB1 HIS 60 26.291 35.442 19.743 442 HD2 HIS 60 HD2 HIS 60 25.319 37.741 17.934 443 HE1 HIS 60 HE1 HIS 60 27.349 36.028 14.652 444 HE2 HIS 60 HE2 HIS 60 25.573 37.709 15.335 445 H HIS 61 HN HIS 61 27.900 37.413 22.543 446 HA HIS 61 HA HIS 61 25.269 37.444 23.383 447 HB2 HIS 61 HB2 HIS 61 27.769 38.049 24.514 448 HB3 HIS 61 HB1 HIS 61 26.770 39.476 24.785 449 HD2 HIS 61 HD2 HIS 61 25.774 35.615 25.058 450 HE1 HIS 61 HE1 HIS 61 24.562 37.632 28.564 451 HE2 HIS 61 HE2 HIS 61 24.569 35.394 27.364 452 H HIS 62 HN HIS 62 24.395 39.663 24.458 453 HA HIS 62 HA HIS 62 23.956 41.448 22.158 454 HB2 HIS 62 HB2 HIS 62 22.007 42.257 23.539 455 HB3 HIS 62 HB1 HIS 62 21.914 40.562 23.059 456 HD2 HIS 62 HD2 HIS 62 22.863 38.754 25.248 457 HE1 HIS 62 HE1 HIS 62 21.811 41.546 28.235 458 HE2 HIS 62 HE2 HIS 62 22.453 39.128 27.800 459 H HIS 63 HN HIS 63 26.287 41.436 24.119 460 HA HIS 63 HA HIS 63 26.460 44.295 24.399 461 HB2 HIS 63 HB2 HIS 63 26.542 44.469 26.762 462 HB3 HIS 63 HB1 HIS 63 25.103 43.509 26.419 463 HD2 HIS 63 HD2 HIS 63 27.090 43.149 29.219 464 HE1 HIS 63 HE1 HIS 63 27.711 39.325 27.542 465 HE2 HIS 63 HE2 HIS 63 27.911 40.710 29.661 466 H HIS 64 HN HIS 64 27.978 42.425 22.987 467 HA HIS 64 HA HIS 64 30.188 41.271 24.070 468 HB2 HIS 64 HB2 HIS 64 30.235 41.058 21.794 469 HB3 HIS 64 HB1 HIS 64 29.683 42.711 21.520 470 HD2 HIS 64 HD2 HIS 64 33.085 40.912 22.527 471 HE1 HIS 64 HE1 HIS 64 33.961 44.704 20.891 472 HE2 HIS 64 HE2 HIS 64 34.974 42.551 21.779 Start of MODEL 32 1 H1 MET 1 HT1 MET 1 53.865 -11.158 -40.011 2 H2 MET 1 HT2 MET 1 53.468 -9.730 -39.181 3 H3 MET 1 HT3 MET 1 53.150 -11.243 -38.475 4 HA MET 1 HA MET 1 55.149 -10.047 -37.585 5 HB2 MET 1 HB2 MET 1 55.360 -12.803 -38.825 6 HB3 MET 1 HB1 MET 1 56.562 -12.149 -37.711 7 HG2 MET 1 HG2 MET 1 55.117 -12.201 -35.899 8 HG3 MET 1 HG1 MET 1 53.679 -12.059 -36.909 9 HE1 MET 1 HE1 MET 1 54.549 -14.170 -34.407 10 HE2 MET 1 HE2 MET 1 56.161 -14.158 -35.119 11 HE3 MET 1 HE3 MET 1 55.273 -15.675 -34.993 12 H GLU 2 HN GLU 2 55.125 -8.512 -39.731 13 HA GLU 2 HA GLU 2 57.037 -9.131 -41.748 14 HB2 GLU 2 HB2 GLU 2 55.844 -6.515 -40.813 15 HB3 GLU 2 HB1 GLU 2 56.933 -6.647 -42.194 16 HG2 GLU 2 HG2 GLU 2 54.643 -6.727 -43.003 17 HG3 GLU 2 HG1 GLU 2 55.371 -8.321 -43.204 18 H GLU 3 HN GLU 3 58.587 -9.948 -39.959 19 HA GLU 3 HA GLU 3 60.012 -8.305 -38.251 20 HB2 GLU 3 HB2 GLU 3 60.645 -10.807 -39.743 21 HB3 GLU 3 HB1 GLU 3 61.983 -9.937 -38.991 22 HG2 GLU 3 HG2 GLU 3 59.480 -10.451 -37.414 23 HG3 GLU 3 HG1 GLU 3 60.667 -11.739 -37.603 24 H GLY 4 HN GLY 4 61.960 -7.139 -38.430 25 HA2 GLY 4 HA2 GLY 4 63.755 -6.656 -40.280 26 HA3 GLY 4 HA1 GLY 4 62.361 -5.930 -41.075 27 H GLY 5 HN GLY 5 61.467 -5.339 -38.132 28 HA2 GLY 5 HA2 GLY 5 63.251 -3.049 -37.617 29 HA3 GLY 5 HA1 GLY 5 61.519 -2.778 -37.790 30 H ASP 6 HN ASP 6 64.027 -4.160 -35.782 31 HA ASP 6 HA ASP 6 62.393 -5.317 -33.792 32 HB2 ASP 6 HB2 ASP 6 65.145 -5.007 -34.253 33 HB3 ASP 6 HB1 ASP 6 64.836 -4.226 -32.704 34 H PHE 7 HN PHE 7 62.378 -2.215 -34.752 35 HA PHE 7 HA PHE 7 62.073 -1.079 -32.051 36 HB2 PHE 7 HB2 PHE 7 63.458 0.365 -33.223 37 HB3 PHE 7 HB1 PHE 7 62.637 0.075 -34.756 38 HD1 PHE 7 HD1 PHE 7 62.128 1.586 -31.372 39 HD2 PHE 7 HD2 PHE 7 60.950 1.538 -35.504 40 HE1 PHE 7 HE1 PHE 7 60.705 3.582 -30.990 41 HE2 PHE 7 HE2 PHE 7 59.527 3.533 -35.120 42 HZ PHE 7 HZ PHE 7 59.404 4.554 -32.865 43 H ASP 8 HN ASP 8 60.452 -0.875 -35.230 44 HA ASP 8 HA ASP 8 58.056 0.243 -34.334 45 HB2 ASP 8 HB2 ASP 8 59.025 -0.435 -36.763 46 HB3 ASP 8 HB1 ASP 8 57.861 -1.738 -36.528 47 H ASN 9 HN ASN 9 56.330 -0.524 -33.272 48 HA ASN 9 HA ASN 9 55.957 -3.438 -33.062 49 HB2 ASN 9 HB2 ASN 9 57.142 -2.146 -31.028 50 HB3 ASN 9 HB1 ASN 9 55.457 -1.840 -30.608 51 HD21 ASN 9 HD21 ASN 9 57.206 -3.582 -29.065 52 HD22 ASN 9 HD22 ASN 9 56.571 -5.153 -29.169 53 H TYR 10 HN TYR 10 54.613 -0.215 -32.398 54 HA TYR 10 HA TYR 10 52.071 -1.010 -33.542 55 HB2 TYR 10 HB2 TYR 10 52.207 -0.167 -30.637 56 HB3 TYR 10 HB1 TYR 10 50.741 -0.495 -31.561 57 HD1 TYR 10 HD2 TYR 10 50.470 -2.836 -32.597 58 HD2 TYR 10 HD1 TYR 10 53.359 -1.917 -29.553 59 HE1 TYR 10 HE2 TYR 10 50.668 -5.248 -32.056 60 HE2 TYR 10 HE1 TYR 10 53.556 -4.329 -29.012 61 HH TYR 10 HH TYR 10 52.260 -6.375 -29.243 62 H TYR 11 HN TYR 11 53.853 1.431 -31.677 63 HA TYR 11 HA TYR 11 54.069 3.700 -31.978 64 HB2 TYR 11 HB2 TYR 11 53.993 2.739 -34.506 65 HB3 TYR 11 HB1 TYR 11 52.556 3.762 -34.521 66 HD1 TYR 11 HD1 TYR 11 52.723 6.184 -34.089 67 HD2 TYR 11 HD2 TYR 11 56.212 3.685 -34.257 68 HE1 TYR 11 HE1 TYR 11 54.157 8.199 -34.293 69 HE2 TYR 11 HE2 TYR 11 57.646 5.699 -34.461 70 HH TYR 11 HH TYR 11 57.633 8.008 -34.083 71 H GLY 12 HN GLY 12 52.910 5.191 -30.941 72 HA2 GLY 12 HA2 GLY 12 51.116 6.286 -30.004 73 HA3 GLY 12 HA1 GLY 12 50.339 6.061 -31.568 74 H ALA 13 HN ALA 13 51.395 3.432 -29.486 75 HA ALA 13 HA ALA 13 48.742 2.285 -29.514 76 HB1 ALA 13 HB1 ALA 13 49.998 0.434 -29.368 77 HB2 ALA 13 HB2 ALA 13 50.347 0.866 -27.694 78 HB3 ALA 13 HB3 ALA 13 51.434 1.383 -28.983 79 H ASP 14 HN ASP 14 50.829 3.918 -27.192 80 HA ASP 14 HA ASP 14 49.468 3.381 -24.823 81 HB2 ASP 14 HB2 ASP 14 51.643 4.598 -25.012 82 HB3 ASP 14 HB1 ASP 14 50.756 6.013 -25.579 83 H ASN 15 HN ASN 15 48.415 5.120 -27.558 84 HA ASN 15 HA ASN 15 46.719 7.055 -26.455 85 HB2 ASN 15 HB2 ASN 15 47.353 6.505 -28.946 86 HB3 ASN 15 HB1 ASN 15 45.895 5.518 -28.889 87 HD21 ASN 15 HD21 ASN 15 44.093 6.973 -27.448 88 HD22 ASN 15 HD22 ASN 15 43.845 8.504 -28.136 89 H GLN 16 HN GLN 16 46.221 3.605 -27.029 90 HA GLN 16 HA GLN 16 43.523 3.795 -25.866 91 HB2 GLN 16 HB2 GLN 16 44.688 1.258 -26.955 92 HB3 GLN 16 HB1 GLN 16 43.009 1.798 -26.934 93 HG2 GLN 16 HG2 GLN 16 43.646 3.606 -28.563 94 HG3 GLN 16 HG1 GLN 16 45.243 2.869 -28.677 95 HE21 GLN 16 HE21 GLN 16 44.164 0.090 -28.450 96 HE22 GLN 16 HE22 GLN 16 43.419 -0.235 -29.940 97 H SER 17 HN SER 17 45.642 4.213 -24.095 98 HA SER 17 HA SER 17 45.291 1.897 -22.326 99 HB2 SER 17 HB2 SER 17 47.678 2.325 -23.710 100 HB3 SER 17 HB1 SER 17 47.980 2.971 -22.099 101 HG SER 17 HG SER 17 48.339 0.638 -22.438 102 H GLU 18 HN GLU 18 46.279 2.474 -20.091 103 HA GLU 18 HA GLU 18 44.876 4.509 -18.914 104 HB2 GLU 18 HB2 GLU 18 47.622 3.539 -18.083 105 HB3 GLU 18 HB1 GLU 18 46.468 4.386 -17.052 106 HG2 GLU 18 HG2 GLU 18 44.842 2.555 -17.366 107 HG3 GLU 18 HG1 GLU 18 45.996 1.706 -18.393 108 H CYS 19 HN CYS 19 44.820 6.541 -19.696 109 HA CYS 19 HA CYS 19 47.331 8.066 -19.670 110 HB2 CYS 19 HB2 CYS 19 46.124 7.237 -22.052 111 HB3 CYS 19 HB1 CYS 19 45.630 8.919 -21.858 112 HG CYS 19 HG CYS 19 47.907 9.485 -22.644 113 H GLU 20 HN GLU 20 43.798 8.073 -19.840 114 HA GLU 20 HA GLU 20 43.742 10.388 -18.060 115 HB2 GLU 20 HB2 GLU 20 42.404 10.372 -20.776 116 HB3 GLU 20 HB1 GLU 20 42.106 11.571 -19.517 117 HG2 GLU 20 HG2 GLU 20 44.615 12.012 -19.517 118 HG3 GLU 20 HG1 GLU 20 44.698 11.037 -20.983 119 H TYR 21 HN TYR 21 43.098 7.646 -17.652 120 HA TYR 21 HA TYR 21 40.244 7.931 -16.995 121 HB2 TYR 21 HB2 TYR 21 41.422 5.403 -18.167 122 HB3 TYR 21 HB1 TYR 21 39.731 5.704 -17.762 123 HD1 TYR 21 HD1 TYR 21 38.577 7.713 -18.943 124 HD2 TYR 21 HD2 TYR 21 42.218 5.898 -20.321 125 HE1 TYR 21 HE1 TYR 21 38.206 8.680 -21.196 126 HE2 TYR 21 HE2 TYR 21 41.847 6.865 -22.574 127 HH TYR 21 HH TYR 21 38.857 8.542 -23.384 128 H THR 22 HN THR 22 43.100 7.802 -15.718 129 HA THR 22 HA THR 22 42.261 6.657 -13.255 130 HB THR 22 HB THR 22 42.639 4.547 -14.464 131 HG1 THR 22 HG1 THR 22 43.317 3.945 -12.590 132 HG21 THR 22 HG21 THR 22 45.536 5.363 -14.695 133 HG22 THR 22 HG22 THR 22 44.386 5.631 -16.005 134 HG23 THR 22 HG23 THR 22 44.725 3.991 -15.450 135 H ASP 23 HN ASP 23 44.886 7.697 -15.353 136 HA ASP 23 HA ASP 23 46.630 8.330 -13.114 137 HB2 ASP 23 HB2 ASP 23 47.326 9.447 -15.734 138 HB3 ASP 23 HB1 ASP 23 48.273 8.421 -14.657 139 H TRP 24 HN TRP 24 43.976 9.648 -13.401 140 HA TRP 24 HA TRP 24 44.872 12.345 -12.872 141 HB2 TRP 24 HB2 TRP 24 43.856 13.470 -14.642 142 HB3 TRP 24 HB1 TRP 24 44.537 12.056 -15.447 143 HD1 TRP 24 HD1 TRP 24 42.793 9.947 -15.804 144 HE1 TRP 24 HE1 TRP 24 40.274 10.003 -16.348 145 HE3 TRP 24 HE3 TRP 24 41.691 14.728 -14.390 146 HZ2 TRP 24 HZ2 TRP 24 38.081 11.833 -16.203 147 HZ3 TRP 24 HZ3 TRP 24 39.381 15.602 -14.603 148 HH2 TRP 24 HH2 TRP 24 37.577 14.161 -15.507 149 H LYS 25 HN LYS 25 43.462 10.152 -11.514 150 HA LYS 25 HA LYS 25 40.731 10.402 -11.298 151 HB2 LYS 25 HB2 LYS 25 42.269 8.808 -10.043 152 HB3 LYS 25 HB1 LYS 25 42.538 10.119 -8.896 153 HG2 LYS 25 HG2 LYS 25 40.682 9.384 -7.835 154 HG3 LYS 25 HG1 LYS 25 39.783 10.104 -9.168 155 HD2 LYS 25 HD2 LYS 25 40.814 7.249 -9.163 156 HD3 LYS 25 HD1 LYS 25 39.170 7.711 -8.734 157 HE2 LYS 25 HE2 LYS 25 39.006 8.843 -11.000 158 HE3 LYS 25 HE1 LYS 25 40.534 8.065 -11.413 159 HZ1 LYS 25 HZ1 LYS 25 38.182 6.562 -10.424 160 HZ2 LYS 25 HZ2 LYS 25 39.584 5.942 -11.156 161 HZ3 LYS 25 HZ3 LYS 25 38.466 6.836 -12.073 162 H SER 26 HN SER 26 43.090 12.149 -9.256 163 HA SER 26 HA SER 26 41.539 14.582 -9.401 164 HB2 SER 26 HB2 SER 26 40.972 14.734 -7.061 165 HB3 SER 26 HB1 SER 26 40.320 13.222 -7.685 166 HG SER 26 HG SER 26 41.487 13.059 -5.656 167 H SER 27 HN SER 27 43.609 13.311 -6.808 168 HA SER 27 HA SER 27 45.759 13.855 -6.177 169 HB2 SER 27 HB2 SER 27 45.957 13.969 -8.853 170 HB3 SER 27 HB1 SER 27 46.213 15.672 -8.483 171 HG SER 27 HG SER 27 48.043 15.192 -7.512 172 H GLY 28 HN GLY 28 43.336 15.442 -5.597 173 HA2 GLY 28 HA2 GLY 28 43.683 17.234 -3.863 174 HA3 GLY 28 HA1 GLY 28 44.575 18.090 -5.117 175 H ALA 29 HN ALA 29 41.920 16.305 -6.283 176 HA ALA 29 HA ALA 29 40.458 18.790 -6.800 177 HB1 ALA 29 HB1 ALA 29 39.385 16.265 -7.871 178 HB2 ALA 29 HB2 ALA 29 41.018 16.657 -8.412 179 HB3 ALA 29 HB3 ALA 29 39.700 17.796 -8.688 180 H LEU 30 HN LEU 30 39.512 15.455 -5.933 181 HA LEU 30 HA LEU 30 37.239 16.564 -4.428 182 HB2 LEU 30 HB2 LEU 30 36.331 14.284 -4.509 183 HB3 LEU 30 HB1 LEU 30 36.726 14.857 -6.128 184 HG LEU 30 HG LEU 30 39.100 13.715 -5.308 185 HD11 LEU 30 HD11 LEU 30 37.723 12.828 -3.324 186 HD12 LEU 30 HD12 LEU 30 38.668 11.651 -4.235 187 HD13 LEU 30 HD13 LEU 30 36.930 11.782 -4.502 188 HD21 LEU 30 HD21 LEU 30 36.811 12.391 -6.795 189 HD22 LEU 30 HD22 LEU 30 38.506 11.909 -6.880 190 HD23 LEU 30 HD23 LEU 30 38.001 13.476 -7.513 191 H ILE 31 HN ILE 31 40.350 15.627 -3.871 192 HA ILE 31 HA ILE 31 40.068 14.029 -1.531 193 HB ILE 31 HB ILE 31 42.469 15.752 -1.808 194 HG12 ILE 31 HG12 ILE 31 41.484 13.825 -3.907 195 HG13 ILE 31 HG11 ILE 31 42.245 15.401 -4.124 196 HG21 ILE 31 HG21 ILE 31 43.564 13.822 -1.042 197 HG22 ILE 31 HG22 ILE 31 42.308 12.750 -1.661 198 HG23 ILE 31 HG23 ILE 31 42.003 13.731 -0.227 199 HD11 ILE 31 HD11 ILE 31 44.311 14.296 -2.984 200 HD12 ILE 31 HD12 ILE 31 43.973 13.913 -4.671 201 HD13 ILE 31 HD13 ILE 31 43.524 12.774 -3.403 202 HA PRO 32 HA PRO 32 40.371 18.119 0.837 203 HB2 PRO 32 HB2 PRO 32 40.092 20.475 -0.499 204 HB3 PRO 32 HB1 PRO 32 41.645 19.636 -0.339 205 HG2 PRO 32 HG2 PRO 32 39.913 19.931 -2.684 206 HG3 PRO 32 HG1 PRO 32 41.643 19.575 -2.592 207 HD2 PRO 32 HD2 PRO 32 39.492 17.724 -3.043 208 HD3 PRO 32 HD1 PRO 32 41.226 17.364 -2.918 209 H ALA 33 HN ALA 33 37.995 16.805 -0.618 210 HA ALA 33 HA ALA 33 35.933 18.675 0.379 211 HB1 ALA 33 HB1 ALA 33 35.825 17.000 -2.142 212 HB2 ALA 33 HB2 ALA 33 35.896 18.761 -2.056 213 HB3 ALA 33 HB3 ALA 33 34.467 17.907 -1.474 214 H ILE 34 HN ILE 34 36.991 15.378 -0.183 215 HA ILE 34 HA ILE 34 34.712 14.345 1.369 216 HB ILE 34 HB ILE 34 36.814 12.775 -0.134 217 HG12 ILE 34 HG12 ILE 34 34.054 13.665 -1.038 218 HG13 ILE 34 HG11 ILE 34 35.578 14.305 -1.650 219 HG21 ILE 34 HG21 ILE 34 35.499 11.593 1.635 220 HG22 ILE 34 HG22 ILE 34 35.178 10.972 0.016 221 HG23 ILE 34 HG23 ILE 34 34.018 12.050 0.793 222 HD11 ILE 34 HD11 ILE 34 35.175 12.686 -3.248 223 HD12 ILE 34 HD12 ILE 34 34.319 11.635 -2.121 224 HD13 ILE 34 HD13 ILE 34 36.079 11.722 -2.080 225 H TYR 35 HN TYR 35 38.226 14.574 1.342 226 HA TYR 35 HA TYR 35 38.527 12.985 3.746 227 HB2 TYR 35 HB2 TYR 35 40.228 13.211 1.825 228 HB3 TYR 35 HB1 TYR 35 40.632 14.772 2.540 229 HD1 TYR 35 HD1 TYR 35 40.230 11.154 3.418 230 HD2 TYR 35 HD2 TYR 35 42.143 14.889 4.333 231 HE1 TYR 35 HE1 TYR 35 41.646 10.015 5.106 232 HE2 TYR 35 HE2 TYR 35 43.559 13.751 6.021 233 HH TYR 35 HH TYR 35 43.170 10.272 6.699 234 H MET 36 HN MET 36 38.359 16.378 2.867 235 HA MET 36 HA MET 36 39.204 17.346 5.444 236 HB2 MET 36 HB2 MET 36 39.436 18.630 3.291 237 HB3 MET 36 HB1 MET 36 37.685 18.843 3.300 238 HG2 MET 36 HG2 MET 36 37.990 20.646 4.613 239 HG3 MET 36 HG1 MET 36 38.518 19.548 5.888 240 HE1 MET 36 HE1 MET 36 41.060 21.972 2.953 241 HE2 MET 36 HE2 MET 36 39.450 22.388 3.535 242 HE3 MET 36 HE3 MET 36 39.669 20.972 2.509 243 H LEU 37 HN LEU 37 36.082 17.123 3.742 244 HA LEU 37 HA LEU 37 34.576 18.057 6.003 245 HB2 LEU 37 HB2 LEU 37 33.545 16.526 3.607 246 HB3 LEU 37 HB1 LEU 37 32.633 17.598 4.671 247 HG LEU 37 HG LEU 37 34.924 18.431 2.865 248 HD11 LEU 37 HD11 LEU 37 33.326 19.343 1.419 249 HD12 LEU 37 HD12 LEU 37 32.075 19.371 2.661 250 HD13 LEU 37 HD13 LEU 37 32.547 17.843 1.921 251 HD21 LEU 37 HD21 LEU 37 35.027 19.935 4.653 252 HD22 LEU 37 HD22 LEU 37 33.296 19.835 4.968 253 HD23 LEU 37 HD23 LEU 37 33.887 20.746 3.579 254 H VAL 38 HN VAL 38 36.372 15.594 6.185 255 HA VAL 38 HA VAL 38 34.387 13.912 7.563 256 HB VAL 38 HB VAL 38 36.451 12.954 5.571 257 HG11 VAL 38 HG11 VAL 38 35.481 10.668 6.259 258 HG12 VAL 38 HG12 VAL 38 34.894 11.489 7.705 259 HG13 VAL 38 HG13 VAL 38 36.624 11.419 7.372 260 HG21 VAL 38 HG21 VAL 38 34.499 11.968 4.470 261 HG22 VAL 38 HG22 VAL 38 34.235 13.697 4.693 262 HG23 VAL 38 HG23 VAL 38 33.449 12.539 5.767 263 H PHE 39 HN PHE 39 37.611 15.157 7.235 264 HA PHE 39 HA PHE 39 38.852 13.580 9.258 265 HB2 PHE 39 HB2 PHE 39 40.441 14.594 7.937 266 HB3 PHE 39 HB1 PHE 39 39.516 16.088 7.783 267 HD1 PHE 39 HD2 PHE 39 41.406 14.033 10.274 268 HD2 PHE 39 HD1 PHE 39 40.003 17.935 9.153 269 HE1 PHE 39 HE2 PHE 39 42.709 15.035 12.131 270 HE2 PHE 39 HE1 PHE 39 41.306 18.938 11.010 271 HZ PHE 39 HZ PHE 39 42.659 17.488 12.498 272 H LEU 40 HN LEU 40 37.337 16.795 9.255 273 HA LEU 40 HA LEU 40 37.647 16.976 12.161 274 HB2 LEU 40 HB2 LEU 40 36.772 19.260 11.884 275 HB3 LEU 40 HB1 LEU 40 38.145 18.971 10.816 276 HG LEU 40 HG LEU 40 35.950 18.141 9.315 277 HD11 LEU 40 HD11 LEU 40 34.441 19.202 10.955 278 HD12 LEU 40 HD12 LEU 40 34.400 20.061 9.416 279 HD13 LEU 40 HD13 LEU 40 35.311 20.726 10.771 280 HD21 LEU 40 HD21 LEU 40 37.827 19.326 8.380 281 HD22 LEU 40 HD22 LEU 40 37.506 20.740 9.383 282 HD23 LEU 40 HD23 LEU 40 36.396 20.313 8.081 283 H LEU 41 HN LEU 41 35.626 15.346 10.303 284 HA LEU 41 HA LEU 41 33.354 15.767 12.130 285 HB2 LEU 41 HB2 LEU 41 33.401 16.307 9.281 286 HB3 LEU 41 HB1 LEU 41 32.210 15.066 9.672 287 HG LEU 41 HG LEU 41 32.431 17.694 11.163 288 HD11 LEU 41 HD11 LEU 41 31.814 18.217 8.886 289 HD12 LEU 41 HD12 LEU 41 30.347 18.282 9.863 290 HD13 LEU 41 HD13 LEU 41 30.664 16.881 8.838 291 HD21 LEU 41 HD21 LEU 41 31.098 15.272 11.723 292 HD22 LEU 41 HD22 LEU 41 29.852 16.369 11.130 293 HD23 LEU 41 HD23 LEU 41 30.844 16.828 12.514 294 H GLY 42 HN GLY 42 35.624 13.717 11.074 295 HA2 GLY 42 HA2 GLY 42 33.995 11.343 10.681 296 HA3 GLY 42 HA1 GLY 42 35.755 11.415 10.704 297 H THR 43 HN THR 43 35.943 12.815 13.225 298 HA THR 43 HA THR 43 34.694 11.044 15.182 299 HB THR 43 HB THR 43 36.634 9.743 14.746 300 HG1 THR 43 HG1 THR 43 36.941 11.480 16.950 301 HG21 THR 43 HG21 THR 43 38.858 11.356 15.177 302 HG22 THR 43 HG22 THR 43 37.796 12.363 14.194 303 HG23 THR 43 HG23 THR 43 38.291 10.772 13.612 304 H THR 44 HN THR 44 36.678 13.832 14.408 305 HA THR 44 HA THR 44 36.857 14.901 17.034 306 HB THR 44 HB THR 44 37.182 16.039 14.272 307 HG1 THR 44 HG1 THR 44 39.017 15.158 14.873 308 HG21 THR 44 HG21 THR 44 37.991 18.127 15.600 309 HG22 THR 44 HG22 THR 44 36.957 17.509 16.888 310 HG23 THR 44 HG23 THR 44 36.261 17.925 15.322 311 H GLY 45 HN GLY 45 34.630 15.532 14.329 312 HA2 GLY 45 HA2 GLY 45 33.095 17.555 15.450 313 HA3 GLY 45 HA1 GLY 45 32.483 16.365 14.305 314 H ASN 46 HN ASN 46 33.461 14.370 16.546 315 HA ASN 46 HA ASN 46 31.251 14.744 18.444 316 HB2 ASN 46 HB2 ASN 46 31.362 12.727 16.331 317 HB3 ASN 46 HB1 ASN 46 31.159 12.028 17.937 318 HD21 ASN 46 HD21 ASN 46 29.925 15.118 16.538 319 HD22 ASN 46 HD22 ASN 46 28.295 14.781 16.871 320 H GLY 47 HN GLY 47 32.752 15.104 20.080 321 HA2 GLY 47 HA2 GLY 47 33.531 13.249 21.804 322 HA3 GLY 47 HA1 GLY 47 34.802 13.082 20.596 323 H LEU 48 HN LEU 48 34.880 15.883 19.889 324 HA LEU 48 HA LEU 48 36.353 16.870 22.237 325 HB2 LEU 48 HB2 LEU 48 36.415 17.996 19.434 326 HB3 LEU 48 HB1 LEU 48 37.580 18.255 20.733 327 HG LEU 48 HG LEU 48 37.028 15.616 19.346 328 HD11 LEU 48 HD11 LEU 48 38.679 17.807 18.629 329 HD12 LEU 48 HD12 LEU 48 38.656 16.199 17.905 330 HD13 LEU 48 HD13 LEU 48 39.750 16.548 19.243 331 HD21 LEU 48 HD21 LEU 48 39.246 15.129 20.714 332 HD22 LEU 48 HD22 LEU 48 37.669 14.955 21.482 333 HD23 LEU 48 HD23 LEU 48 38.627 16.411 21.756 334 H VAL 49 HN VAL 49 33.319 17.052 21.282 335 HA VAL 49 HA VAL 49 33.010 19.964 21.544 336 HB VAL 49 HB VAL 49 31.062 17.780 20.775 337 HG11 VAL 49 HG11 VAL 49 30.697 20.722 21.329 338 HG12 VAL 49 HG12 VAL 49 29.719 19.367 21.891 339 HG13 VAL 49 HG13 VAL 49 29.636 19.873 20.203 340 HG21 VAL 49 HG21 VAL 49 31.485 20.008 18.943 341 HG22 VAL 49 HG22 VAL 49 31.625 18.276 18.642 342 HG23 VAL 49 HG23 VAL 49 32.995 19.169 19.301 343 H LEU 50 HN LEU 50 32.614 17.005 23.283 344 HA LEU 50 HA LEU 50 30.972 18.315 25.342 345 HB2 LEU 50 HB2 LEU 50 30.670 16.067 26.259 346 HB3 LEU 50 HB1 LEU 50 30.256 16.086 24.544 347 HG LEU 50 HG LEU 50 33.001 15.549 24.591 348 HD11 LEU 50 HD11 LEU 50 31.554 13.888 26.678 349 HD12 LEU 50 HD12 LEU 50 32.795 15.093 27.024 350 HD13 LEU 50 HD13 LEU 50 33.208 13.638 26.117 351 HD21 LEU 50 HD21 LEU 50 32.258 13.288 23.842 352 HD22 LEU 50 HD22 LEU 50 31.368 14.583 23.041 353 HD23 LEU 50 HD23 LEU 50 30.618 13.682 24.359 354 H TRP 51 HN TRP 51 34.197 17.533 24.622 355 HA TRP 51 HA TRP 51 35.068 17.266 27.381 356 HB2 TRP 51 HB2 TRP 51 36.526 16.038 26.127 357 HB3 TRP 51 HB1 TRP 51 36.317 17.052 24.699 358 HD1 TRP 51 HD1 TRP 51 37.879 17.388 28.230 359 HE1 TRP 51 HE1 TRP 51 40.013 18.818 28.024 360 HE3 TRP 51 HE3 TRP 51 37.732 18.482 23.243 361 HZ2 TRP 51 HZ2 TRP 51 41.467 20.239 26.011 362 HZ3 TRP 51 HZ3 TRP 51 39.502 19.875 22.210 363 HH2 TRP 51 HH2 TRP 51 41.368 20.753 23.586 364 H THR 52 HN THR 52 36.234 19.432 24.803 365 HA THR 52 HA THR 52 37.367 21.373 26.389 366 HB THR 52 HB THR 52 37.384 21.207 23.843 367 HG1 THR 52 HG1 THR 52 36.862 23.813 24.168 368 HG21 THR 52 HG21 THR 52 34.994 23.022 23.961 369 HG22 THR 52 HG22 THR 52 34.769 21.275 23.877 370 HG23 THR 52 HG23 THR 52 35.633 22.115 22.590 371 H VAL 53 HN VAL 53 34.016 20.686 25.938 372 HA VAL 53 HA VAL 53 33.104 23.273 26.890 373 HB VAL 53 HB VAL 53 31.767 20.713 26.062 374 HG11 VAL 53 HG11 VAL 53 30.439 21.209 27.942 375 HG12 VAL 53 HG12 VAL 53 29.602 22.038 26.630 376 HG13 VAL 53 HG13 VAL 53 30.631 22.950 27.733 377 HG21 VAL 53 HG21 VAL 53 30.786 22.097 24.388 378 HG22 VAL 53 HG22 VAL 53 32.468 22.615 24.481 379 HG23 VAL 53 HG23 VAL 53 31.206 23.574 25.254 380 H PHE 54 HN PHE 54 33.827 20.124 28.190 381 HA PHE 54 HA PHE 54 32.398 20.415 30.646 382 HB2 PHE 54 HB2 PHE 54 33.375 18.268 29.553 383 HB3 PHE 54 HB1 PHE 54 34.879 18.743 30.343 384 HD1 PHE 54 HD1 PHE 54 31.322 17.852 30.923 385 HD2 PHE 54 HD2 PHE 54 35.160 18.559 32.718 386 HE1 PHE 54 HE1 PHE 54 30.487 16.935 33.070 387 HE2 PHE 54 HE2 PHE 54 34.325 17.641 34.865 388 HZ PHE 54 HZ PHE 54 31.989 16.829 35.041 389 H ARG 55 HN ARG 55 34.605 22.402 29.533 390 HA ARG 55 HA ARG 55 36.175 22.625 32.014 391 HB2 ARG 55 HB2 ARG 55 36.601 23.497 29.186 392 HB3 ARG 55 HB1 ARG 55 37.369 24.414 30.482 393 HG2 ARG 55 HG2 ARG 55 38.846 22.605 29.651 394 HG3 ARG 55 HG1 ARG 55 38.410 22.362 31.344 395 HD2 ARG 55 HD2 ARG 55 36.912 20.628 30.843 396 HD3 ARG 55 HD1 ARG 55 36.751 21.125 29.160 397 HE ARG 55 HE ARG 55 38.711 19.949 28.665 398 HH11 ARG 55 HH21 ARG 55 38.186 20.219 32.075 399 HH12 ARG 55 HH22 ARG 55 39.424 19.082 32.494 400 HH21 ARG 55 HH11 ARG 55 40.337 18.459 29.208 401 HH22 ARG 55 HH12 ARG 55 40.642 18.086 30.871 402 H LYS 56 HN LYS 56 34.223 24.588 29.758 403 HA LYS 56 HA LYS 56 34.296 26.916 31.397 404 HB2 LYS 56 HB2 LYS 56 32.608 27.814 29.918 405 HB3 LYS 56 HB1 LYS 56 33.852 26.997 28.976 406 HG2 LYS 56 HG2 LYS 56 32.033 24.973 29.548 407 HG3 LYS 56 HG1 LYS 56 31.006 26.373 29.238 408 HD2 LYS 56 HD2 LYS 56 33.259 25.522 27.405 409 HD3 LYS 56 HD1 LYS 56 31.585 25.021 27.184 410 HE2 LYS 56 HE2 LYS 56 32.604 27.877 27.208 411 HE3 LYS 56 HE1 LYS 56 32.027 26.986 25.800 412 HZ1 LYS 56 HZ1 LYS 56 30.532 28.247 27.929 413 HZ2 LYS 56 HZ2 LYS 56 29.976 26.702 27.493 414 HZ3 LYS 56 HZ3 LYS 56 30.082 27.932 26.326 415 H LYS 57 HN LYS 57 32.402 24.039 31.411 416 HA LYS 57 HA LYS 57 30.118 25.065 32.768 417 HB2 LYS 57 HB2 LYS 57 30.192 22.915 31.467 418 HB3 LYS 57 HB1 LYS 57 31.139 22.221 32.782 419 HG2 LYS 57 HG2 LYS 57 28.943 23.471 34.023 420 HG3 LYS 57 HG1 LYS 57 28.276 22.632 32.623 421 HD2 LYS 57 HD2 LYS 57 30.093 21.378 34.704 422 HD3 LYS 57 HD1 LYS 57 28.345 21.162 34.619 423 HE2 LYS 57 HE2 LYS 57 29.325 20.614 32.027 424 HE3 LYS 57 HE1 LYS 57 30.408 19.784 33.144 425 HZ1 LYS 57 HZ1 LYS 57 28.694 18.280 32.805 426 HZ2 LYS 57 HZ2 LYS 57 27.489 19.477 32.831 427 HZ3 LYS 57 HZ3 LYS 57 28.266 19.017 34.272 428 H GLY 58 HN GLY 58 32.460 26.025 34.008 429 HA2 GLY 58 HA2 GLY 58 33.112 24.519 36.351 430 HA3 GLY 58 HA1 GLY 58 33.512 26.208 36.056 431 H HIS 59 HN HIS 59 30.816 24.077 36.960 432 HA HIS 59 HA HIS 59 28.914 24.475 38.204 433 HB2 HIS 59 HB2 HIS 59 30.957 26.113 39.723 434 HB3 HIS 59 HB1 HIS 59 29.365 25.675 40.343 435 HD2 HIS 59 HD2 HIS 59 30.755 22.734 38.372 436 HE1 HIS 59 HE1 HIS 59 31.861 22.031 42.384 437 HE2 HIS 59 HE2 HIS 59 31.700 20.994 40.072 438 H HIS 60 HN HIS 60 29.802 26.529 36.052 439 HA HIS 60 HA HIS 60 28.426 28.927 37.001 440 HB2 HIS 60 HB2 HIS 60 30.357 28.296 34.913 441 HB3 HIS 60 HB1 HIS 60 29.028 29.287 34.312 442 HD2 HIS 60 HD2 HIS 60 30.954 29.559 37.801 443 HE1 HIS 60 HE1 HIS 60 30.902 33.342 35.926 444 HE2 HIS 60 HE2 HIS 60 31.619 32.076 38.007 445 H HIS 61 HN HIS 61 27.251 26.134 36.186 446 HA HIS 61 HA HIS 61 25.404 25.327 35.062 447 HB2 HIS 61 HB2 HIS 61 24.549 27.076 36.795 448 HB3 HIS 61 HB1 HIS 61 24.217 28.068 35.374 449 HD2 HIS 61 HD2 HIS 61 23.400 25.054 33.698 450 HE1 HIS 61 HE1 HIS 61 20.047 25.431 36.236 451 HE2 HIS 61 HE2 HIS 61 20.953 24.270 34.169 452 H HIS 62 HN HIS 62 23.578 27.367 33.678 453 HA HIS 62 HA HIS 62 24.605 26.962 31.041 454 HB2 HIS 62 HB2 HIS 62 22.154 27.115 31.722 455 HB3 HIS 62 HB1 HIS 62 22.388 28.860 31.815 456 HD2 HIS 62 HD2 HIS 62 20.540 28.744 29.450 457 HE1 HIS 62 HE1 HIS 62 23.708 27.763 26.837 458 HE2 HIS 62 HE2 HIS 62 21.302 28.567 26.959 459 H HIS 63 HN HIS 63 23.720 30.035 32.630 460 HA HIS 63 HA HIS 63 26.243 31.249 31.879 461 HB2 HIS 63 HB2 HIS 63 25.389 32.885 30.376 462 HB3 HIS 63 HB1 HIS 63 24.761 31.338 29.806 463 HD2 HIS 63 HD2 HIS 63 23.269 34.629 30.027 464 HE1 HIS 63 HE1 HIS 63 20.225 32.192 31.648 465 HE2 HIS 63 HE2 HIS 63 20.746 34.485 30.688 466 H HIS 64 HN HIS 64 25.144 30.816 34.380 467 HA HIS 64 HA HIS 64 23.557 32.825 35.472 468 HB2 HIS 64 HB2 HIS 64 23.933 31.604 37.310 469 HB3 HIS 64 HB1 HIS 64 25.173 30.697 36.445 470 HD2 HIS 64 HD2 HIS 64 27.850 31.607 36.899 471 HE1 HIS 64 HE1 HIS 64 26.839 34.312 39.978 472 HE2 HIS 64 HE2 HIS 64 28.764 33.159 38.789 Start of MODEL 33 1 H1 MET 1 HT1 MET 1 44.254 0.046 28.473 2 H2 MET 1 HT2 MET 1 44.143 -0.756 29.967 3 H3 MET 1 HT3 MET 1 44.738 -1.574 28.602 4 HA MET 1 HA MET 1 46.116 0.096 30.465 5 HB2 MET 1 HB2 MET 1 47.058 -1.666 28.182 6 HB3 MET 1 HB1 MET 1 48.045 -1.085 29.524 7 HG2 MET 1 HG2 MET 1 47.457 -2.992 30.589 8 HG3 MET 1 HG1 MET 1 45.870 -2.250 30.794 9 HE1 MET 1 HE1 MET 1 48.097 -4.740 29.012 10 HE2 MET 1 HE2 MET 1 46.897 -5.984 28.674 11 HE3 MET 1 HE3 MET 1 47.116 -5.406 30.324 12 H GLU 2 HN GLU 2 45.350 2.203 29.617 13 HA GLU 2 HA GLU 2 46.457 3.027 27.043 14 HB2 GLU 2 HB2 GLU 2 44.146 3.706 27.951 15 HB3 GLU 2 HB1 GLU 2 45.028 4.807 29.009 16 HG2 GLU 2 HG2 GLU 2 44.495 6.087 27.072 17 HG3 GLU 2 HG1 GLU 2 46.198 5.664 26.902 18 H GLU 3 HN GLU 3 48.699 2.770 27.667 19 HA GLU 3 HA GLU 3 49.942 4.067 29.813 20 HB2 GLU 3 HB2 GLU 3 50.785 2.846 27.275 21 HB3 GLU 3 HB1 GLU 3 51.861 4.118 27.856 22 HG2 GLU 3 HG2 GLU 3 52.164 3.015 29.967 23 HG3 GLU 3 HG1 GLU 3 50.876 1.862 29.618 24 H GLY 4 HN GLY 4 49.765 6.171 30.261 25 HA2 GLY 4 HA2 GLY 4 50.754 8.147 28.435 26 HA3 GLY 4 HA1 GLY 4 49.005 8.241 28.616 27 H GLY 5 HN GLY 5 51.549 7.460 30.980 28 HA2 GLY 5 HA2 GLY 5 50.437 9.534 32.755 29 HA3 GLY 5 HA1 GLY 5 51.413 8.161 33.268 30 H ASP 6 HN ASP 6 52.587 9.929 34.423 31 HA ASP 6 HA ASP 6 54.279 11.499 34.609 32 HB2 ASP 6 HB2 ASP 6 55.266 9.142 33.806 33 HB3 ASP 6 HB1 ASP 6 55.754 10.123 32.424 34 H PHE 7 HN PHE 7 52.204 11.929 32.426 35 HA PHE 7 HA PHE 7 51.786 13.488 30.793 36 HB2 PHE 7 HB2 PHE 7 54.394 14.852 31.253 37 HB3 PHE 7 HB1 PHE 7 52.780 15.539 31.068 38 HD1 PHE 7 HD2 PHE 7 51.193 14.071 33.034 39 HD2 PHE 7 HD1 PHE 7 55.199 15.590 33.334 40 HE1 PHE 7 HE2 PHE 7 50.960 14.197 35.499 41 HE2 PHE 7 HE1 PHE 7 54.966 15.716 35.800 42 HZ PHE 7 HZ PHE 7 52.846 15.020 36.882 43 H ASP 8 HN ASP 8 51.925 13.134 28.678 44 HA ASP 8 HA ASP 8 54.431 13.063 27.285 45 HB2 ASP 8 HB2 ASP 8 54.703 10.830 27.827 46 HB3 ASP 8 HB1 ASP 8 52.968 10.530 27.901 47 H ASN 9 HN ASN 9 53.633 14.609 25.921 48 HA ASN 9 HA ASN 9 51.387 13.780 24.183 49 HB2 ASN 9 HB2 ASN 9 50.499 15.512 25.563 50 HB3 ASN 9 HB1 ASN 9 51.951 16.494 25.378 51 HD21 ASN 9 HD21 ASN 9 49.505 14.920 23.225 52 HD22 ASN 9 HD22 ASN 9 49.396 16.237 22.159 53 H TYR 10 HN TYR 10 54.577 15.012 24.490 54 HA TYR 10 HA TYR 10 56.226 15.400 22.952 55 HB2 TYR 10 HB2 TYR 10 54.422 13.649 21.584 56 HB3 TYR 10 HB1 TYR 10 54.969 14.884 20.452 57 HD1 TYR 10 HD1 TYR 10 56.467 12.946 23.299 58 HD2 TYR 10 HD2 TYR 10 56.868 14.288 19.237 59 HE1 TYR 10 HE1 TYR 10 58.663 11.808 23.140 60 HE2 TYR 10 HE2 TYR 10 59.064 13.150 19.079 61 HH TYR 10 HH TYR 10 60.321 11.197 21.773 62 H TYR 11 HN TYR 11 52.998 16.524 22.037 63 HA TYR 11 HA TYR 11 52.274 18.498 21.114 64 HB2 TYR 11 HB2 TYR 11 53.664 19.133 23.295 65 HB3 TYR 11 HB1 TYR 11 54.709 19.905 22.100 66 HD1 TYR 11 HD2 TYR 11 53.889 21.742 20.697 67 HD2 TYR 11 HD1 TYR 11 51.377 19.900 23.654 68 HE1 TYR 11 HE2 TYR 11 52.291 23.629 20.514 69 HE2 TYR 11 HE1 TYR 11 49.779 21.788 23.472 70 HH TYR 11 HH TYR 11 49.225 23.543 21.506 71 H GLY 12 HN GLY 12 52.907 20.351 19.636 72 HA2 GLY 12 HA2 GLY 12 53.568 20.819 17.462 73 HA3 GLY 12 HA1 GLY 12 55.170 20.685 18.181 74 H ALA 13 HN ALA 13 52.980 17.968 17.999 75 HA ALA 13 HA ALA 13 54.911 16.358 16.638 76 HB1 ALA 13 HB1 ALA 13 52.061 15.512 16.719 77 HB2 ALA 13 HB2 ALA 13 52.872 15.754 18.266 78 HB3 ALA 13 HB3 ALA 13 53.521 14.599 17.101 79 H ASP 14 HN ASP 14 53.092 14.898 14.940 80 HA ASP 14 HA ASP 14 52.668 14.828 12.673 81 HB2 ASP 14 HB2 ASP 14 50.720 16.170 13.841 82 HB3 ASP 14 HB1 ASP 14 51.382 17.516 12.916 83 H ASN 15 HN ASN 15 55.036 16.533 13.744 84 HA ASN 15 HA ASN 15 55.420 18.325 11.453 85 HB2 ASN 15 HB2 ASN 15 55.941 18.915 13.931 86 HB3 ASN 15 HB1 ASN 15 57.388 17.940 13.690 87 HD21 ASN 15 HD21 ASN 15 56.994 20.982 13.987 88 HD22 ASN 15 HD22 ASN 15 57.807 21.629 12.645 89 H GLN 16 HN GLN 16 56.710 15.401 12.924 90 HA GLN 16 HA GLN 16 58.606 15.114 10.678 91 HB2 GLN 16 HB2 GLN 16 58.693 13.272 13.012 92 HB3 GLN 16 HB1 GLN 16 60.016 13.963 12.072 93 HG2 GLN 16 HG2 GLN 16 59.316 16.223 13.108 94 HG3 GLN 16 HG1 GLN 16 58.398 15.260 14.264 95 HE21 GLN 16 HE21 GLN 16 61.658 16.134 13.224 96 HE22 GLN 16 HE22 GLN 16 62.461 15.400 14.527 97 H SER 17 HN SER 17 55.860 14.640 10.241 98 HA SER 17 HA SER 17 55.960 11.775 9.583 99 HB2 SER 17 HB2 SER 17 53.751 13.180 11.078 100 HB3 SER 17 HB1 SER 17 53.473 11.688 10.182 101 HG SER 17 HG SER 17 54.102 10.876 12.047 102 H GLU 18 HN GLU 18 54.253 11.194 7.969 103 HA GLU 18 HA GLU 18 54.416 12.777 5.687 104 HB2 GLU 18 HB2 GLU 18 52.649 11.366 4.765 105 HB3 GLU 18 HB1 GLU 18 53.786 10.381 5.686 106 HG2 GLU 18 HG2 GLU 18 52.056 11.007 7.657 107 HG3 GLU 18 HG1 GLU 18 50.954 11.060 6.281 108 H CYS 19 HN CYS 19 53.744 14.832 5.577 109 HA CYS 19 HA CYS 19 51.255 15.632 6.900 110 HB2 CYS 19 HB2 CYS 19 53.358 17.006 7.095 111 HB3 CYS 19 HB1 CYS 19 53.208 17.364 5.374 112 HG CYS 19 HG CYS 19 51.177 18.800 5.820 113 H GLU 20 HN GLU 20 52.749 16.134 3.692 114 HA GLU 20 HA GLU 20 50.190 15.553 2.410 115 HB2 GLU 20 HB2 GLU 20 51.595 18.220 2.121 116 HB3 GLU 20 HB1 GLU 20 50.263 17.669 1.104 117 HG2 GLU 20 HG2 GLU 20 48.928 17.344 3.252 118 HG3 GLU 20 HG1 GLU 20 50.212 18.228 4.075 119 H TYR 21 HN TYR 21 52.741 14.225 2.469 120 HA TYR 21 HA TYR 21 53.778 14.691 -0.251 121 HB2 TYR 21 HB2 TYR 21 55.131 12.724 1.479 122 HB3 TYR 21 HB1 TYR 21 55.812 14.016 0.490 123 HD1 TYR 21 HD2 TYR 21 54.577 16.433 1.431 124 HD2 TYR 21 HD1 TYR 21 55.839 13.007 3.694 125 HE1 TYR 21 HE2 TYR 21 54.822 17.855 3.447 126 HE2 TYR 21 HE1 TYR 21 56.086 14.430 5.710 127 HH TYR 21 HH TYR 21 55.932 16.473 6.546 128 H THR 22 HN THR 22 51.419 12.957 1.103 129 HA THR 22 HA THR 22 51.372 11.014 -1.009 130 HB THR 22 HB THR 22 52.717 9.560 0.154 131 HG1 THR 22 HG1 THR 22 51.038 8.537 1.809 132 HG21 THR 22 HG21 THR 22 52.493 9.500 2.773 133 HG22 THR 22 HG22 THR 22 51.767 11.092 2.553 134 HG23 THR 22 HG23 THR 22 53.416 10.791 2.004 135 H ASP 23 HN ASP 23 50.141 11.824 2.228 136 HA ASP 23 HA ASP 23 47.531 10.737 1.713 137 HB2 ASP 23 HB2 ASP 23 46.969 12.042 3.842 138 HB3 ASP 23 HB1 ASP 23 48.182 10.771 3.987 139 H TRP 24 HN TRP 24 48.575 12.768 -0.176 140 HA TRP 24 HA TRP 24 46.292 14.632 -0.018 141 HB2 TRP 24 HB2 TRP 24 47.581 16.507 -0.359 142 HB3 TRP 24 HB1 TRP 24 48.717 15.541 0.583 143 HD1 TRP 24 HD1 TRP 24 50.707 14.338 -0.728 144 HE1 TRP 24 HE1 TRP 24 51.795 14.836 -3.013 145 HE3 TRP 24 HE3 TRP 24 47.140 17.373 -2.763 146 HZ2 TRP 24 HZ2 TRP 24 51.227 16.324 -5.388 147 HZ3 TRP 24 HZ3 TRP 24 47.438 18.315 -5.035 148 HH2 TRP 24 HH2 TRP 24 49.476 17.795 -6.348 149 H LYS 25 HN LYS 25 47.518 12.150 -1.630 150 HA LYS 25 HA LYS 25 47.905 12.699 -4.268 151 HB2 LYS 25 HB2 LYS 25 46.933 10.447 -2.749 152 HB3 LYS 25 HB1 LYS 25 46.070 10.563 -4.283 153 HG2 LYS 25 HG2 LYS 25 48.112 9.219 -4.552 154 HG3 LYS 25 HG1 LYS 25 48.234 10.715 -5.479 155 HD2 LYS 25 HD2 LYS 25 50.048 11.353 -4.312 156 HD3 LYS 25 HD1 LYS 25 49.189 11.143 -2.786 157 HE2 LYS 25 HE2 LYS 25 51.240 9.685 -3.037 158 HE3 LYS 25 HE1 LYS 25 49.751 8.800 -2.705 159 HZ1 LYS 25 HZ1 LYS 25 49.981 7.711 -4.601 160 HZ2 LYS 25 HZ2 LYS 25 51.468 8.490 -4.867 161 HZ3 LYS 25 HZ3 LYS 25 50.033 9.159 -5.484 162 H SER 26 HN SER 26 46.874 14.143 -5.495 163 HA SER 26 HA SER 26 43.954 14.425 -5.235 164 HB2 SER 26 HB2 SER 26 45.726 16.229 -6.859 165 HB3 SER 26 HB1 SER 26 44.164 16.583 -6.125 166 HG SER 26 HG SER 26 46.410 15.859 -4.572 167 H SER 27 HN SER 27 43.288 12.628 -6.432 168 HA SER 27 HA SER 27 44.266 12.135 -9.095 169 HB2 SER 27 HB2 SER 27 42.501 10.834 -7.195 170 HB3 SER 27 HB1 SER 27 41.810 10.830 -8.816 171 HG SER 27 HG SER 27 43.296 9.470 -9.409 172 H GLY 28 HN GLY 28 40.873 12.608 -8.152 173 HA2 GLY 28 HA2 GLY 28 40.233 13.790 -10.692 174 HA3 GLY 28 HA1 GLY 28 39.138 13.592 -9.326 175 H ALA 29 HN ALA 29 41.560 14.990 -7.835 176 HA ALA 29 HA ALA 29 42.237 17.149 -7.339 177 HB1 ALA 29 HB1 ALA 29 41.781 17.427 -9.957 178 HB2 ALA 29 HB2 ALA 29 42.095 18.811 -8.910 179 HB3 ALA 29 HB3 ALA 29 40.439 18.399 -9.353 180 H LEU 30 HN LEU 30 40.142 15.828 -6.019 181 HA LEU 30 HA LEU 30 38.789 18.108 -4.868 182 HB2 LEU 30 HB2 LEU 30 36.549 17.465 -5.284 183 HB3 LEU 30 HB1 LEU 30 37.357 17.367 -6.846 184 HG LEU 30 HG LEU 30 36.669 15.066 -4.993 185 HD11 LEU 30 HD11 LEU 30 35.362 14.307 -6.933 186 HD12 LEU 30 HD12 LEU 30 35.881 15.725 -7.845 187 HD13 LEU 30 HD13 LEU 30 34.849 15.917 -6.427 188 HD21 LEU 30 HD21 LEU 30 38.445 15.208 -7.436 189 HD22 LEU 30 HD22 LEU 30 37.665 13.707 -6.943 190 HD23 LEU 30 HD23 LEU 30 38.814 14.498 -5.866 191 H ILE 31 HN ILE 31 40.583 15.654 -4.304 192 HA ILE 31 HA ILE 31 39.112 14.069 -2.438 193 HB ILE 31 HB ILE 31 41.925 14.268 -3.340 194 HG12 ILE 31 HG12 ILE 31 40.364 11.847 -2.454 195 HG13 ILE 31 HG11 ILE 31 40.055 12.612 -4.014 196 HG21 ILE 31 HG21 ILE 31 41.161 13.296 -0.572 197 HG22 ILE 31 HG22 ILE 31 42.408 14.475 -0.994 198 HG23 ILE 31 HG23 ILE 31 42.624 12.775 -1.403 199 HD11 ILE 31 HD11 ILE 31 41.699 10.793 -4.252 200 HD12 ILE 31 HD12 ILE 31 42.738 11.571 -3.059 201 HD13 ILE 31 HD13 ILE 31 42.438 12.352 -4.612 202 HA PRO 32 HA PRO 32 41.372 17.040 0.725 203 HB2 PRO 32 HB2 PRO 32 41.032 19.610 -0.698 204 HB3 PRO 32 HB1 PRO 32 42.436 18.991 0.189 205 HG2 PRO 32 HG2 PRO 32 42.392 19.177 -2.486 206 HG3 PRO 32 HG1 PRO 32 43.275 17.900 -1.631 207 HD2 PRO 32 HD2 PRO 32 40.667 17.736 -3.092 208 HD3 PRO 32 HD1 PRO 32 41.961 16.528 -2.947 209 H ALA 33 HN ALA 33 38.631 17.539 -1.297 210 HA ALA 33 HA ALA 33 37.175 19.150 0.642 211 HB1 ALA 33 HB1 ALA 33 36.717 19.696 -1.629 212 HB2 ALA 33 HB2 ALA 33 35.294 18.830 -1.047 213 HB3 ALA 33 HB3 ALA 33 36.476 18.003 -2.062 214 H ILE 34 HN ILE 34 35.956 16.333 -1.118 215 HA ILE 34 HA ILE 34 34.132 15.434 0.689 216 HB ILE 34 HB ILE 34 35.041 13.045 -0.196 217 HG12 ILE 34 HG12 ILE 34 35.844 14.932 -2.405 218 HG13 ILE 34 HG11 ILE 34 37.022 14.418 -1.196 219 HG21 ILE 34 HG21 ILE 34 33.550 13.415 -2.152 220 HG22 ILE 34 HG22 ILE 34 33.542 15.143 -1.794 221 HG23 ILE 34 HG23 ILE 34 32.833 14.003 -0.651 222 HD11 ILE 34 HD11 ILE 34 35.322 12.451 -2.741 223 HD12 ILE 34 HD12 ILE 34 36.765 12.118 -1.784 224 HD13 ILE 34 HD13 ILE 34 36.901 12.989 -3.311 225 H TYR 35 HN TYR 35 37.617 15.004 0.838 226 HA TYR 35 HA TYR 35 37.570 13.123 3.004 227 HB2 TYR 35 HB2 TYR 35 39.475 13.369 1.400 228 HB3 TYR 35 HB1 TYR 35 39.837 14.930 2.138 229 HD1 TYR 35 HD2 TYR 35 40.694 15.084 4.424 230 HD2 TYR 35 HD1 TYR 35 39.835 11.280 2.620 231 HE1 TYR 35 HE2 TYR 35 41.958 13.943 6.227 232 HE2 TYR 35 HE1 TYR 35 41.099 10.139 4.423 233 HH TYR 35 HH TYR 35 43.031 10.842 6.039 234 H MET 36 HN MET 36 37.891 16.631 2.726 235 HA MET 36 HA MET 36 38.563 17.167 5.415 236 HB2 MET 36 HB2 MET 36 38.876 18.926 3.856 237 HB3 MET 36 HB1 MET 36 37.215 18.810 3.274 238 HG2 MET 36 HG2 MET 36 36.339 19.872 5.147 239 HG3 MET 36 HG1 MET 36 37.694 19.405 6.174 240 HE1 MET 36 HE1 MET 36 40.572 21.532 5.225 241 HE2 MET 36 HE2 MET 36 39.974 19.935 5.670 242 HE3 MET 36 HE3 MET 36 39.692 21.304 6.743 243 H LEU 37 HN LEU 37 35.475 16.684 3.789 244 HA LEU 37 HA LEU 37 33.871 17.495 6.027 245 HB2 LEU 37 HB2 LEU 37 33.022 15.707 3.745 246 HB3 LEU 37 HB1 LEU 37 32.004 16.748 4.742 247 HG LEU 37 HG LEU 37 34.162 17.684 2.828 248 HD11 LEU 37 HD11 LEU 37 32.543 17.800 1.268 249 HD12 LEU 37 HD12 LEU 37 31.493 18.693 2.369 250 HD13 LEU 37 HD13 LEU 37 31.480 16.930 2.375 251 HD21 LEU 37 HD21 LEU 37 34.144 19.305 4.522 252 HD22 LEU 37 HD22 LEU 37 32.429 19.072 4.859 253 HD23 LEU 37 HD23 LEU 37 32.933 19.931 3.404 254 H VAL 38 HN VAL 38 35.998 15.296 6.259 255 HA VAL 38 HA VAL 38 34.287 13.437 7.769 256 HB VAL 38 HB VAL 38 36.515 12.564 5.914 257 HG11 VAL 38 HG11 VAL 38 36.430 11.056 7.752 258 HG12 VAL 38 HG12 VAL 38 35.468 10.288 6.489 259 HG13 VAL 38 HG13 VAL 38 34.669 11.121 7.822 260 HG21 VAL 38 HG21 VAL 38 34.678 11.520 4.618 261 HG22 VAL 38 HG22 VAL 38 34.498 13.272 4.685 262 HG23 VAL 38 HG23 VAL 38 33.501 12.245 5.714 263 H PHE 39 HN PHE 39 37.073 15.348 7.502 264 HA PHE 39 HA PHE 39 38.671 13.952 9.463 265 HB2 PHE 39 HB2 PHE 39 39.911 15.214 7.889 266 HB3 PHE 39 HB1 PHE 39 38.890 16.636 8.105 267 HD1 PHE 39 HD1 PHE 39 41.256 14.391 9.936 268 HD2 PHE 39 HD2 PHE 39 39.455 18.283 9.690 269 HE1 PHE 39 HE1 PHE 39 42.762 15.202 11.732 270 HE2 PHE 39 HE2 PHE 39 40.961 19.094 11.486 271 HZ PHE 39 HZ PHE 39 42.615 17.553 12.507 272 H LEU 40 HN LEU 40 37.054 17.140 9.437 273 HA LEU 40 HA LEU 40 37.250 17.365 12.311 274 HB2 LEU 40 HB2 LEU 40 36.009 19.475 11.984 275 HB3 LEU 40 HB1 LEU 40 37.400 19.365 10.905 276 HG LEU 40 HG LEU 40 35.371 18.153 9.449 277 HD11 LEU 40 HD11 LEU 40 34.286 20.611 10.862 278 HD12 LEU 40 HD12 LEU 40 33.710 18.960 11.091 279 HD13 LEU 40 HD13 LEU 40 33.499 19.759 9.533 280 HD21 LEU 40 HD21 LEU 40 36.293 21.047 9.423 281 HD22 LEU 40 HD22 LEU 40 35.472 20.229 8.094 282 HD23 LEU 40 HD23 LEU 40 37.080 19.705 8.592 283 H LEU 41 HN LEU 41 35.439 15.391 10.566 284 HA LEU 41 HA LEU 41 33.171 15.544 12.446 285 HB2 LEU 41 HB2 LEU 41 33.088 15.915 9.575 286 HB3 LEU 41 HB1 LEU 41 32.125 14.519 10.056 287 HG LEU 41 HG LEU 41 31.926 17.231 11.391 288 HD11 LEU 41 HD11 LEU 41 29.926 17.608 10.081 289 HD12 LEU 41 HD12 LEU 41 30.046 16.007 9.352 290 HD13 LEU 41 HD13 LEU 41 31.241 17.245 8.965 291 HD21 LEU 41 HD21 LEU 41 29.604 15.507 11.519 292 HD22 LEU 41 HD22 LEU 41 30.549 16.190 12.842 293 HD23 LEU 41 HD23 LEU 41 31.025 14.654 12.120 294 H GLY 42 HN GLY 42 35.723 13.817 11.463 295 HA2 GLY 42 HA2 GLY 42 34.484 11.195 11.258 296 HA3 GLY 42 HA1 GLY 42 36.210 11.545 11.222 297 H THR 43 HN THR 43 36.365 13.053 13.617 298 HA THR 43 HA THR 43 35.390 11.282 15.735 299 HB THR 43 HB THR 43 37.671 10.470 14.905 300 HG1 THR 43 HG1 THR 43 38.441 10.475 17.186 301 HG21 THR 43 HG21 THR 43 39.599 11.741 15.409 302 HG22 THR 43 HG22 THR 43 38.701 12.846 16.451 303 HG23 THR 43 HG23 THR 43 38.484 12.910 14.701 304 H THR 44 HN THR 44 37.182 14.193 14.819 305 HA THR 44 HA THR 44 37.241 15.457 17.323 306 HB THR 44 HB THR 44 37.264 16.473 14.491 307 HG1 THR 44 HG1 THR 44 39.125 15.516 15.440 308 HG21 THR 44 HG21 THR 44 37.889 18.707 15.670 309 HG22 THR 44 HG22 THR 44 37.025 18.035 17.053 310 HG23 THR 44 HG23 THR 44 36.184 18.285 15.524 311 H GLY 45 HN GLY 45 34.669 15.028 15.021 312 HA2 GLY 45 HA2 GLY 45 32.953 16.960 16.417 313 HA3 GLY 45 HA1 GLY 45 32.589 16.166 14.888 314 H ASN 46 HN ASN 46 33.690 14.701 17.922 315 HA ASN 46 HA ASN 46 31.049 13.472 18.294 316 HB2 ASN 46 HB2 ASN 46 31.703 11.401 17.748 317 HB3 ASN 46 HB1 ASN 46 33.187 12.105 17.107 318 HD21 ASN 46 HD21 ASN 46 35.068 12.241 18.626 319 HD22 ASN 46 HD22 ASN 46 35.159 11.166 19.937 320 H GLY 47 HN GLY 47 34.271 14.176 19.531 321 HA2 GLY 47 HA2 GLY 47 33.149 14.189 22.262 322 HA3 GLY 47 HA1 GLY 47 34.681 13.383 21.936 323 H LEU 48 HN LEU 48 35.997 14.693 23.139 324 HA LEU 48 HA LEU 48 37.332 16.485 23.631 325 HB2 LEU 48 HB2 LEU 48 36.503 17.528 20.915 326 HB3 LEU 48 HB1 LEU 48 37.929 17.993 21.838 327 HG LEU 48 HG LEU 48 37.355 15.197 20.811 328 HD11 LEU 48 HD11 LEU 48 39.480 17.147 19.892 329 HD12 LEU 48 HD12 LEU 48 37.924 16.971 19.081 330 HD13 LEU 48 HD13 LEU 48 39.040 15.607 19.153 331 HD21 LEU 48 HD21 LEU 48 39.520 16.424 22.500 332 HD22 LEU 48 HD22 LEU 48 39.927 15.098 21.412 333 HD23 LEU 48 HD23 LEU 48 38.721 14.862 22.675 334 H VAL 49 HN VAL 49 34.718 18.019 21.730 335 HA VAL 49 HA VAL 49 34.523 20.218 23.538 336 HB VAL 49 HB VAL 49 33.943 20.311 21.101 337 HG11 VAL 49 HG11 VAL 49 31.338 19.011 21.901 338 HG12 VAL 49 HG12 VAL 49 32.680 18.068 21.255 339 HG13 VAL 49 HG13 VAL 49 31.945 19.339 20.278 340 HG21 VAL 49 HG21 VAL 49 31.394 21.182 22.104 341 HG22 VAL 49 HG22 VAL 49 32.796 22.162 21.683 342 HG23 VAL 49 HG23 VAL 49 32.624 21.528 23.318 343 H LEU 50 HN LEU 50 34.125 17.532 24.727 344 HA LEU 50 HA LEU 50 32.015 18.162 26.500 345 HB2 LEU 50 HB2 LEU 50 30.442 16.346 25.905 346 HB3 LEU 50 HB1 LEU 50 30.558 17.559 24.632 347 HG LEU 50 HG LEU 50 32.568 15.791 23.953 348 HD11 LEU 50 HD11 LEU 50 30.175 14.216 24.953 349 HD12 LEU 50 HD12 LEU 50 31.781 14.205 25.682 350 HD13 LEU 50 HD13 LEU 50 31.543 13.553 24.060 351 HD21 LEU 50 HD21 LEU 50 29.672 16.014 23.101 352 HD22 LEU 50 HD22 LEU 50 30.820 14.971 22.264 353 HD23 LEU 50 HD23 LEU 50 31.090 16.712 22.317 354 H TRP 51 HN TRP 51 34.146 15.775 25.073 355 HA TRP 51 HA TRP 51 34.034 14.050 27.412 356 HB2 TRP 51 HB2 TRP 51 34.330 12.736 25.537 357 HB3 TRP 51 HB1 TRP 51 35.329 13.938 24.722 358 HD1 TRP 51 HD1 TRP 51 35.842 12.375 28.219 359 HE1 TRP 51 HE1 TRP 51 38.186 11.303 28.282 360 HE3 TRP 51 HE3 TRP 51 37.298 13.154 23.388 361 HZ2 TRP 51 HZ2 TRP 51 40.388 10.840 26.517 362 HZ3 TRP 51 HZ3 TRP 51 39.521 12.390 22.606 363 HH2 TRP 51 HH2 TRP 51 41.066 11.233 24.163 364 H THR 52 HN THR 52 36.958 15.107 25.711 365 HA THR 52 HA THR 52 38.601 15.110 27.957 366 HB THR 52 HB THR 52 39.119 15.367 25.376 367 HG1 THR 52 HG1 THR 52 40.567 15.143 27.245 368 HG21 THR 52 HG21 THR 52 39.572 17.556 24.639 369 HG22 THR 52 HG22 THR 52 39.536 18.212 26.274 370 HG23 THR 52 HG23 THR 52 38.035 17.721 25.487 371 H VAL 53 HN VAL 53 36.092 17.239 27.211 372 HA VAL 53 HA VAL 53 37.230 19.498 28.680 373 HB VAL 53 HB VAL 53 34.730 19.064 27.072 374 HG11 VAL 53 HG11 VAL 53 33.788 20.227 28.885 375 HG12 VAL 53 HG12 VAL 53 34.260 21.527 27.791 376 HG13 VAL 53 HG13 VAL 53 35.266 21.141 29.187 377 HG21 VAL 53 HG21 VAL 53 36.986 19.823 26.115 378 HG22 VAL 53 HG22 VAL 53 36.747 21.318 27.019 379 HG23 VAL 53 HG23 VAL 53 35.603 20.858 25.758 380 H PHE 54 HN PHE 54 34.841 16.950 29.041 381 HA PHE 54 HA PHE 54 33.604 17.974 31.395 382 HB2 PHE 54 HB2 PHE 54 32.400 16.338 30.151 383 HB3 PHE 54 HB1 PHE 54 33.755 15.210 30.188 384 HD1 PHE 54 HD2 PHE 54 31.378 17.039 32.426 385 HD2 PHE 54 HD1 PHE 54 33.928 13.620 31.913 386 HE1 PHE 54 HE2 PHE 54 30.523 16.082 34.549 387 HE2 PHE 54 HE1 PHE 54 33.073 12.663 34.034 388 HZ PHE 54 HZ PHE 54 31.370 13.894 35.352 389 H ARG 55 HN ARG 55 36.698 16.860 30.874 390 HA ARG 55 HA ARG 55 37.009 15.640 33.519 391 HB2 ARG 55 HB2 ARG 55 39.377 16.112 31.797 392 HB3 ARG 55 HB1 ARG 55 38.928 14.687 32.732 393 HG2 ARG 55 HG2 ARG 55 37.719 15.555 30.088 394 HG3 ARG 55 HG1 ARG 55 38.773 14.168 30.353 395 HD2 ARG 55 HD2 ARG 55 36.810 13.712 32.205 396 HD3 ARG 55 HD1 ARG 55 35.893 14.472 30.908 397 HE ARG 55 HE ARG 55 37.366 12.624 29.581 398 HH11 ARG 55 HH21 ARG 55 35.393 12.527 32.422 399 HH12 ARG 55 HH22 ARG 55 34.914 10.878 32.200 400 HH21 ARG 55 HH11 ARG 55 36.742 10.461 29.282 401 HH22 ARG 55 HH12 ARG 55 35.677 9.708 30.422 402 H LYS 56 HN LYS 56 37.833 18.547 31.733 403 HA LYS 56 HA LYS 56 39.576 19.581 33.794 404 HB2 LYS 56 HB2 LYS 56 38.305 21.114 31.521 405 HB3 LYS 56 HB1 LYS 56 39.773 21.522 32.411 406 HG2 LYS 56 HG2 LYS 56 40.671 19.239 31.583 407 HG3 LYS 56 HG1 LYS 56 39.346 19.297 30.419 408 HD2 LYS 56 HD2 LYS 56 40.151 21.455 29.575 409 HD3 LYS 56 HD1 LYS 56 41.450 21.453 30.768 410 HE2 LYS 56 HE2 LYS 56 41.259 19.030 29.070 411 HE3 LYS 56 HE1 LYS 56 41.754 20.507 28.245 412 HZ1 LYS 56 HZ1 LYS 56 43.545 20.792 29.745 413 HZ2 LYS 56 HZ2 LYS 56 43.602 19.176 29.223 414 HZ3 LYS 56 HZ3 LYS 56 42.992 19.554 30.764 415 H LYS 57 HN LYS 57 36.602 20.975 32.402 416 HA LYS 57 HA LYS 57 35.085 22.431 33.365 417 HB2 LYS 57 HB2 LYS 57 34.838 19.830 34.353 418 HB3 LYS 57 HB1 LYS 57 34.729 20.857 35.782 419 HG2 LYS 57 HG2 LYS 57 32.499 20.664 34.947 420 HG3 LYS 57 HG1 LYS 57 33.050 22.269 34.472 421 HD2 LYS 57 HD2 LYS 57 33.887 20.689 32.360 422 HD3 LYS 57 HD1 LYS 57 32.338 19.969 32.797 423 HE2 LYS 57 HE2 LYS 57 31.809 21.680 31.227 424 HE3 LYS 57 HE1 LYS 57 31.400 22.353 32.805 425 HZ1 LYS 57 HZ1 LYS 57 34.125 22.768 31.864 426 HZ2 LYS 57 HZ2 LYS 57 33.104 23.810 32.735 427 HZ3 LYS 57 HZ3 LYS 57 32.908 23.630 31.057 428 H GLY 58 HN GLY 58 37.960 22.769 34.189 429 HA2 GLY 58 HA2 GLY 58 38.079 23.477 36.933 430 HA3 GLY 58 HA1 GLY 58 39.191 24.019 35.680 431 H HIS 59 HN HIS 59 35.846 24.570 36.795 432 HA HIS 59 HA HIS 59 34.544 26.472 36.781 433 HB2 HIS 59 HB2 HIS 59 37.157 27.855 37.409 434 HB3 HIS 59 HB1 HIS 59 35.534 28.359 37.880 435 HD2 HIS 59 HD2 HIS 59 35.225 24.800 38.595 436 HE1 HIS 59 HE1 HIS 59 37.292 26.220 41.991 437 HE2 HIS 59 HE2 HIS 59 35.964 24.274 41.043 438 H HIS 60 HN HIS 60 35.792 25.695 34.233 439 HA HIS 60 HA HIS 60 35.028 27.900 32.660 440 HB2 HIS 60 HB2 HIS 60 37.793 27.932 33.596 441 HB3 HIS 60 HB1 HIS 60 37.674 27.954 31.836 442 HD2 HIS 60 HD2 HIS 60 37.750 30.526 34.509 443 HE1 HIS 60 HE1 HIS 60 35.126 32.156 31.631 444 HE2 HIS 60 HE2 HIS 60 36.509 32.675 33.697 445 H HIS 61 HN HIS 61 35.809 27.593 30.315 446 HA HIS 61 HA HIS 61 35.305 24.854 29.596 447 HB2 HIS 61 HB2 HIS 61 35.662 27.434 28.147 448 HB3 HIS 61 HB1 HIS 61 35.933 25.944 27.244 449 HD2 HIS 61 HD2 HIS 61 33.539 24.045 28.153 450 HE1 HIS 61 HE1 HIS 61 30.948 27.327 27.572 451 HE2 HIS 61 HE2 HIS 61 31.061 24.804 27.836 452 H HIS 62 HN HIS 62 38.114 26.927 29.835 453 HA HIS 62 HA HIS 62 39.884 24.662 29.666 454 HB2 HIS 62 HB2 HIS 62 41.105 25.296 27.703 455 HB3 HIS 62 HB1 HIS 62 39.403 25.218 27.249 456 HD2 HIS 62 HD2 HIS 62 42.048 27.500 26.319 457 HE1 HIS 62 HE1 HIS 62 38.904 30.163 27.243 458 HE2 HIS 62 HE2 HIS 62 41.160 29.946 26.098 459 H HIS 63 HN HIS 63 42.250 25.510 29.669 460 HA HIS 63 HA HIS 63 42.660 28.156 30.734 461 HB2 HIS 63 HB2 HIS 63 41.736 26.651 32.652 462 HB3 HIS 63 HB1 HIS 63 43.348 25.935 32.634 463 HD2 HIS 63 HD2 HIS 63 42.468 27.881 35.195 464 HE1 HIS 63 HE1 HIS 63 45.100 30.673 33.435 465 HE2 HIS 63 HE2 HIS 63 43.864 30.056 35.566 466 H HIS 64 HN HIS 64 43.720 26.850 28.519 467 HA HIS 64 HA HIS 64 46.161 25.526 28.920 468 HB2 HIS 64 HB2 HIS 64 45.412 27.372 26.641 469 HB3 HIS 64 HB1 HIS 64 46.679 26.146 26.618 470 HD2 HIS 64 HD2 HIS 64 43.723 26.045 24.799 471 HE1 HIS 64 HE1 HIS 64 43.174 22.548 27.099 472 HE2 HIS 64 HE2 HIS 64 42.400 23.806 25.034 Start of MODEL 34 1 H1 MET 1 HT1 MET 1 48.719 3.816 -57.291 2 H2 MET 1 HT2 MET 1 48.816 5.183 -56.286 3 H3 MET 1 HT3 MET 1 49.354 3.673 -55.725 4 HA MET 1 HA MET 1 51.090 3.668 -57.445 5 HB2 MET 1 HB2 MET 1 49.919 6.419 -57.926 6 HB3 MET 1 HB1 MET 1 51.525 5.950 -58.484 7 HG2 MET 1 HG2 MET 1 50.703 4.460 -60.049 8 HG3 MET 1 HG1 MET 1 49.233 4.141 -59.128 9 HE1 MET 1 HE1 MET 1 47.101 5.558 -61.737 10 HE2 MET 1 HE2 MET 1 47.028 4.864 -60.120 11 HE3 MET 1 HE3 MET 1 48.069 4.133 -61.340 12 H GLU 2 HN GLU 2 53.097 4.135 -56.619 13 HA GLU 2 HA GLU 2 54.591 4.645 -54.938 14 HB2 GLU 2 HB2 GLU 2 53.185 7.320 -55.111 15 HB3 GLU 2 HB1 GLU 2 54.803 7.029 -54.474 16 HG2 GLU 2 HG2 GLU 2 55.507 6.173 -56.692 17 HG3 GLU 2 HG1 GLU 2 53.899 6.525 -57.324 18 H GLU 3 HN GLU 3 52.543 3.234 -53.882 19 HA GLU 3 HA GLU 3 50.988 4.337 -51.871 20 HB2 GLU 3 HB2 GLU 3 52.208 1.652 -52.328 21 HB3 GLU 3 HB1 GLU 3 51.513 1.989 -50.742 22 HG2 GLU 3 HG2 GLU 3 49.950 2.684 -53.208 23 HG3 GLU 3 HG1 GLU 3 49.990 1.010 -52.654 24 H GLY 4 HN GLY 4 51.270 4.543 -49.607 25 HA2 GLY 4 HA2 GLY 4 52.572 4.567 -47.613 26 HA3 GLY 4 HA1 GLY 4 54.031 4.499 -48.597 27 H GLY 5 HN GLY 5 51.193 6.653 -48.694 28 HA2 GLY 5 HA2 GLY 5 52.917 8.931 -47.999 29 HA3 GLY 5 HA1 GLY 5 52.029 8.983 -49.518 30 H ASP 6 HN ASP 6 50.209 10.116 -49.403 31 HA ASP 6 HA ASP 6 49.049 11.051 -47.025 32 HB2 ASP 6 HB2 ASP 6 48.756 12.011 -49.347 33 HB3 ASP 6 HB1 ASP 6 47.607 10.711 -49.657 34 H PHE 7 HN PHE 7 48.983 9.007 -45.800 35 HA PHE 7 HA PHE 7 46.329 7.932 -45.762 36 HB2 PHE 7 HB2 PHE 7 46.672 6.261 -47.238 37 HB3 PHE 7 HB1 PHE 7 48.422 6.479 -47.214 38 HD1 PHE 7 HD2 PHE 7 49.821 5.314 -45.583 39 HD2 PHE 7 HD1 PHE 7 45.560 4.777 -45.642 40 HE1 PHE 7 HE2 PHE 7 50.051 3.330 -44.112 41 HE2 PHE 7 HE1 PHE 7 45.790 2.794 -44.172 42 HZ PHE 7 HZ PHE 7 48.035 2.070 -43.407 43 H ASP 8 HN ASP 8 49.706 7.535 -44.769 44 HA ASP 8 HA ASP 8 49.333 6.041 -42.445 45 HB2 ASP 8 HB2 ASP 8 51.559 6.402 -43.209 46 HB3 ASP 8 HB1 ASP 8 51.369 8.153 -43.156 47 H ASN 9 HN ASN 9 48.143 6.451 -40.706 48 HA ASN 9 HA ASN 9 48.045 9.197 -39.654 49 HB2 ASN 9 HB2 ASN 9 46.007 8.948 -40.969 50 HB3 ASN 9 HB1 ASN 9 45.630 7.438 -40.142 51 HD21 ASN 9 HD21 ASN 9 45.940 10.962 -39.635 52 HD22 ASN 9 HD22 ASN 9 45.003 10.998 -38.220 53 H TYR 10 HN TYR 10 48.914 6.154 -39.100 54 HA TYR 10 HA TYR 10 49.256 4.854 -37.238 55 HB2 TYR 10 HB2 TYR 10 49.398 7.645 -36.350 56 HB3 TYR 10 HB1 TYR 10 48.993 6.516 -35.057 57 HD1 TYR 10 HD2 TYR 10 51.138 6.171 -38.113 58 HD2 TYR 10 HD1 TYR 10 50.931 6.062 -33.824 59 HE1 TYR 10 HE2 TYR 10 53.505 5.434 -38.018 60 HE2 TYR 10 HE1 TYR 10 53.297 5.326 -33.729 61 HH TYR 10 HH TYR 10 54.907 4.110 -35.304 62 H TYR 11 HN TYR 11 47.093 7.147 -35.633 63 HA TYR 11 HA TYR 11 44.915 6.913 -34.880 64 HB2 TYR 11 HB2 TYR 11 44.808 5.404 -37.091 65 HB3 TYR 11 HB1 TYR 11 44.644 4.126 -35.886 66 HD1 TYR 11 HD2 TYR 11 42.829 4.309 -34.130 67 HD2 TYR 11 HD1 TYR 11 43.016 6.900 -37.551 68 HE1 TYR 11 HE2 TYR 11 40.454 4.936 -33.786 69 HE2 TYR 11 HE1 TYR 11 40.642 7.527 -37.207 70 HH TYR 11 HH TYR 11 38.990 7.565 -35.435 71 H GLY 12 HN GLY 12 46.296 3.617 -34.843 72 HA2 GLY 12 HA2 GLY 12 45.440 3.155 -32.142 73 HA3 GLY 12 HA1 GLY 12 46.453 2.090 -33.112 74 H ALA 13 HN ALA 13 47.109 5.481 -32.390 75 HA ALA 13 HA ALA 13 49.752 4.822 -31.436 76 HB1 ALA 13 HB1 ALA 13 48.599 7.552 -31.092 77 HB2 ALA 13 HB2 ALA 13 48.845 6.960 -32.734 78 HB3 ALA 13 HB3 ALA 13 50.210 7.070 -31.622 79 H ASP 14 HN ASP 14 49.812 7.024 -29.490 80 HA ASP 14 HA ASP 14 49.436 5.578 -27.122 81 HB2 ASP 14 HB2 ASP 14 50.545 7.331 -26.282 82 HB3 ASP 14 HB1 ASP 14 50.417 8.126 -27.851 83 H ASN 15 HN ASN 15 47.124 6.924 -29.155 84 HA ASN 15 HA ASN 15 45.176 7.938 -27.434 85 HB2 ASN 15 HB2 ASN 15 44.890 8.178 -29.800 86 HB3 ASN 15 HB1 ASN 15 44.921 6.432 -30.040 87 HD21 ASN 15 HD21 ASN 15 42.786 6.075 -30.795 88 HD22 ASN 15 HD22 ASN 15 41.399 6.480 -29.906 89 H GLN 16 HN GLN 16 46.502 4.886 -27.409 90 HA GLN 16 HA GLN 16 44.220 3.843 -25.861 91 HB2 GLN 16 HB2 GLN 16 45.802 2.116 -27.766 92 HB3 GLN 16 HB1 GLN 16 44.299 1.723 -26.930 93 HG2 GLN 16 HG2 GLN 16 43.332 3.780 -28.210 94 HG3 GLN 16 HG1 GLN 16 44.729 3.572 -29.265 95 HE21 GLN 16 HE21 GLN 16 43.977 2.503 -31.106 96 HE22 GLN 16 HE22 GLN 16 42.985 1.125 -31.084 97 H SER 17 HN SER 17 46.486 5.046 -24.785 98 HA SER 17 HA SER 17 47.605 2.796 -23.294 99 HB2 SER 17 HB2 SER 17 49.070 3.716 -25.386 100 HB3 SER 17 HB1 SER 17 49.632 4.788 -24.107 101 HG SER 17 HG SER 17 50.863 3.096 -23.722 102 H GLU 18 HN GLU 18 47.855 3.272 -21.197 103 HA GLU 18 HA GLU 18 47.327 4.480 -19.278 104 HB2 GLU 18 HB2 GLU 18 49.119 6.154 -18.835 105 HB3 GLU 18 HB1 GLU 18 49.733 4.605 -19.410 106 HG2 GLU 18 HG2 GLU 18 50.081 5.468 -21.624 107 HG3 GLU 18 HG1 GLU 18 49.207 6.952 -21.249 108 H CYS 19 HN CYS 19 45.540 5.239 -21.304 109 HA CYS 19 HA CYS 19 45.405 8.056 -21.661 110 HB2 CYS 19 HB2 CYS 19 44.209 6.340 -23.061 111 HB3 CYS 19 HB1 CYS 19 43.100 6.098 -21.712 112 HG CYS 19 HG CYS 19 43.298 8.698 -23.414 113 H GLU 20 HN GLU 20 43.366 5.930 -19.633 114 HA GLU 20 HA GLU 20 43.315 8.026 -17.574 115 HB2 GLU 20 HB2 GLU 20 40.806 6.678 -18.594 116 HB3 GLU 20 HB1 GLU 20 40.911 7.946 -17.373 117 HG2 GLU 20 HG2 GLU 20 41.956 9.432 -19.123 118 HG3 GLU 20 HG1 GLU 20 41.589 8.185 -20.314 119 H TYR 21 HN TYR 21 44.839 6.261 -16.797 120 HA TYR 21 HA TYR 21 43.325 4.486 -15.036 121 HB2 TYR 21 HB2 TYR 21 45.578 3.383 -16.715 122 HB3 TYR 21 HB1 TYR 21 44.469 2.494 -15.672 123 HD1 TYR 21 HD2 TYR 21 42.080 2.232 -16.308 124 HD2 TYR 21 HD1 TYR 21 44.935 4.079 -18.932 125 HE1 TYR 21 HE2 TYR 21 40.508 1.965 -18.207 126 HE2 TYR 21 HE1 TYR 21 43.364 3.811 -20.832 127 HH TYR 21 HH TYR 21 40.214 3.307 -20.551 128 H THR 22 HN THR 22 45.307 6.878 -15.113 129 HA THR 22 HA THR 22 46.593 6.286 -12.647 130 HB THR 22 HB THR 22 48.287 5.073 -13.620 131 HG1 THR 22 HG1 THR 22 49.914 6.799 -14.366 132 HG21 THR 22 HG21 THR 22 49.155 5.871 -15.982 133 HG22 THR 22 HG22 THR 22 47.574 6.646 -16.069 134 HG23 THR 22 HG23 THR 22 47.689 4.899 -15.857 135 H ASP 23 HN ASP 23 46.806 8.227 -15.618 136 HA ASP 23 HA ASP 23 47.864 10.548 -14.364 137 HB2 ASP 23 HB2 ASP 23 47.269 9.738 -16.983 138 HB3 ASP 23 HB1 ASP 23 46.257 11.153 -16.694 139 H TRP 24 HN TRP 24 44.574 9.485 -15.134 140 HA TRP 24 HA TRP 24 43.218 11.849 -14.443 141 HB2 TRP 24 HB2 TRP 24 41.266 10.596 -14.571 142 HB3 TRP 24 HB1 TRP 24 42.368 9.628 -15.552 143 HD1 TRP 24 HD1 TRP 24 42.952 7.251 -14.735 144 HE1 TRP 24 HE1 TRP 24 42.250 5.821 -12.706 145 HE3 TRP 24 HE3 TRP 24 40.579 10.799 -11.932 146 HZ2 TRP 24 HZ2 TRP 24 40.865 6.140 -10.225 147 HZ3 TRP 24 HZ3 TRP 24 39.579 10.210 -9.742 148 HH2 TRP 24 HH2 TRP 24 39.719 7.887 -8.886 149 H LYS 25 HN LYS 25 44.525 9.252 -12.492 150 HA LYS 25 HA LYS 25 43.240 9.387 -10.111 151 HB2 LYS 25 HB2 LYS 25 45.513 8.227 -10.839 152 HB3 LYS 25 HB1 LYS 25 46.215 9.603 -9.990 153 HG2 LYS 25 HG2 LYS 25 44.679 9.039 -8.044 154 HG3 LYS 25 HG1 LYS 25 44.305 7.534 -8.882 155 HD2 LYS 25 HD2 LYS 25 47.053 8.457 -7.991 156 HD3 LYS 25 HD1 LYS 25 46.113 7.140 -7.289 157 HE2 LYS 25 HE2 LYS 25 46.103 6.182 -9.721 158 HE3 LYS 25 HE1 LYS 25 47.473 7.264 -9.969 159 HZ1 LYS 25 HZ1 LYS 25 47.417 4.773 -8.662 160 HZ2 LYS 25 HZ2 LYS 25 47.873 5.968 -7.543 161 HZ3 LYS 25 HZ3 LYS 25 48.751 5.771 -8.983 162 H SER 26 HN SER 26 42.526 11.050 -8.956 163 HA SER 26 HA SER 26 43.643 13.687 -9.202 164 HB2 SER 26 HB2 SER 26 41.424 12.457 -7.602 165 HB3 SER 26 HB1 SER 26 41.995 14.076 -7.213 166 HG SER 26 HG SER 26 41.552 14.684 -9.341 167 H SER 27 HN SER 27 42.920 12.076 -6.135 168 HA SER 27 HA SER 27 44.250 11.660 -4.287 169 HB2 SER 27 HB2 SER 27 46.511 11.381 -4.537 170 HB3 SER 27 HB1 SER 27 46.051 11.347 -6.238 171 HG SER 27 HG SER 27 47.776 12.913 -5.289 172 H GLY 28 HN GLY 28 43.925 14.627 -5.905 173 HA2 GLY 28 HA2 GLY 28 44.066 16.070 -3.377 174 HA3 GLY 28 HA1 GLY 28 45.211 16.585 -4.611 175 H ALA 29 HN ALA 29 42.280 15.350 -5.842 176 HA ALA 29 HA ALA 29 41.429 18.078 -6.552 177 HB1 ALA 29 HB1 ALA 29 41.862 16.164 -8.275 178 HB2 ALA 29 HB2 ALA 29 40.440 17.190 -8.466 179 HB3 ALA 29 HB3 ALA 29 40.280 15.582 -7.759 180 H LEU 30 HN LEU 30 39.721 14.991 -6.019 181 HA LEU 30 HA LEU 30 37.581 16.488 -4.662 182 HB2 LEU 30 HB2 LEU 30 36.241 14.435 -5.001 183 HB3 LEU 30 HB1 LEU 30 36.873 15.069 -6.522 184 HG LEU 30 HG LEU 30 38.841 13.312 -5.436 185 HD11 LEU 30 HD11 LEU 30 36.943 12.354 -4.129 186 HD12 LEU 30 HD12 LEU 30 37.592 11.216 -5.308 187 HD13 LEU 30 HD13 LEU 30 36.083 12.064 -5.641 188 HD21 LEU 30 HD21 LEU 30 38.520 13.798 -7.816 189 HD22 LEU 30 HD22 LEU 30 36.918 13.062 -7.772 190 HD23 LEU 30 HD23 LEU 30 38.353 12.064 -7.541 191 H ILE 31 HN ILE 31 40.345 15.057 -3.781 192 HA ILE 31 HA ILE 31 39.567 13.266 -1.731 193 HB ILE 31 HB ILE 31 42.034 14.458 -2.707 194 HG12 ILE 31 HG12 ILE 31 42.909 12.271 -1.995 195 HG13 ILE 31 HG11 ILE 31 41.410 11.950 -1.123 196 HG21 ILE 31 HG21 ILE 31 43.288 14.190 -0.562 197 HG22 ILE 31 HG22 ILE 31 41.755 14.047 0.291 198 HG23 ILE 31 HG23 ILE 31 42.176 15.556 -0.529 199 HD11 ILE 31 HD11 ILE 31 41.933 11.341 -3.805 200 HD12 ILE 31 HD12 ILE 31 40.882 12.755 -3.867 201 HD13 ILE 31 HD13 ILE 31 40.359 11.305 -3.011 202 HA PRO 32 HA PRO 32 40.044 17.243 1.089 203 HB2 PRO 32 HB2 PRO 32 38.857 19.250 -0.741 204 HB3 PRO 32 HB1 PRO 32 40.258 19.395 0.337 205 HG2 PRO 32 HG2 PRO 32 40.522 19.232 -2.319 206 HG3 PRO 32 HG1 PRO 32 41.706 18.526 -1.207 207 HD2 PRO 32 HD2 PRO 32 39.589 17.159 -2.823 208 HD3 PRO 32 HD1 PRO 32 41.222 16.602 -2.398 209 H ALA 33 HN ALA 33 37.436 17.328 -1.350 210 HA ALA 33 HA ALA 33 35.319 18.145 0.216 211 HB1 ALA 33 HB1 ALA 33 35.646 16.932 -2.327 212 HB2 ALA 33 HB2 ALA 33 34.221 17.755 -1.694 213 HB3 ALA 33 HB3 ALA 33 34.408 16.016 -1.469 214 H ILE 34 HN ILE 34 36.872 15.000 0.092 215 HA ILE 34 HA ILE 34 34.888 13.864 1.930 216 HB ILE 34 HB ILE 34 37.256 12.672 0.466 217 HG12 ILE 34 HG12 ILE 34 35.200 11.180 -0.309 218 HG13 ILE 34 HG11 ILE 34 34.265 12.603 0.140 219 HG21 ILE 34 HG21 ILE 34 37.287 11.397 2.401 220 HG22 ILE 34 HG22 ILE 34 36.102 10.505 1.448 221 HG23 ILE 34 HG23 ILE 34 35.564 11.622 2.702 222 HD11 ILE 34 HD11 ILE 34 36.619 12.604 -1.774 223 HD12 ILE 34 HD12 ILE 34 35.614 13.993 -1.363 224 HD13 ILE 34 HD13 ILE 34 34.923 12.639 -2.253 225 H TYR 35 HN TYR 35 38.229 14.941 1.825 226 HA TYR 35 HA TYR 35 38.864 13.944 4.459 227 HB2 TYR 35 HB2 TYR 35 40.411 14.606 2.363 228 HB3 TYR 35 HB1 TYR 35 40.476 16.127 3.253 229 HD1 TYR 35 HD2 TYR 35 41.130 16.073 5.719 230 HD2 TYR 35 HD1 TYR 35 41.646 12.717 3.087 231 HE1 TYR 35 HE2 TYR 35 42.753 15.076 7.307 232 HE2 TYR 35 HE1 TYR 35 43.269 11.720 4.675 233 HH TYR 35 HH TYR 35 43.665 11.937 7.273 234 H MET 36 HN MET 36 38.614 17.239 3.104 235 HA MET 36 HA MET 36 38.720 18.692 5.446 236 HB2 MET 36 HB2 MET 36 38.700 19.783 3.284 237 HB3 MET 36 HB1 MET 36 37.060 19.218 2.971 238 HG2 MET 36 HG2 MET 36 36.154 20.587 4.718 239 HG3 MET 36 HG1 MET 36 37.757 20.964 5.344 240 HE1 MET 36 HE1 MET 36 39.433 21.828 2.391 241 HE2 MET 36 HE2 MET 36 39.511 21.911 4.149 242 HE3 MET 36 HE3 MET 36 39.346 23.393 3.210 243 H LEU 37 HN LEU 37 35.791 17.421 3.857 244 HA LEU 37 HA LEU 37 34.046 18.239 5.962 245 HB2 LEU 37 HB2 LEU 37 33.554 16.095 3.887 246 HB3 LEU 37 HB1 LEU 37 32.342 17.009 4.784 247 HG LEU 37 HG LEU 37 34.334 18.179 2.816 248 HD11 LEU 37 HD11 LEU 37 32.644 18.224 1.243 249 HD12 LEU 37 HD12 LEU 37 31.370 18.295 2.460 250 HD13 LEU 37 HD13 LEU 37 32.175 16.765 2.116 251 HD21 LEU 37 HD21 LEU 37 33.938 19.920 4.320 252 HD22 LEU 37 HD22 LEU 37 32.311 19.356 4.700 253 HD23 LEU 37 HD23 LEU 37 32.628 20.161 3.164 254 H VAL 38 HN VAL 38 36.456 16.314 6.407 255 HA VAL 38 HA VAL 38 34.969 14.502 8.194 256 HB VAL 38 HB VAL 38 37.116 13.747 6.212 257 HG11 VAL 38 HG11 VAL 38 36.276 12.417 8.785 258 HG12 VAL 38 HG12 VAL 38 37.906 12.705 8.174 259 HG13 VAL 38 HG13 VAL 38 36.892 11.465 7.434 260 HG21 VAL 38 HG21 VAL 38 35.488 12.092 5.518 261 HG22 VAL 38 HG22 VAL 38 34.671 13.653 5.586 262 HG23 VAL 38 HG23 VAL 38 34.442 12.481 6.883 263 H PHE 39 HN PHE 39 37.522 16.668 7.636 264 HA PHE 39 HA PHE 39 39.357 15.774 9.628 265 HB2 PHE 39 HB2 PHE 39 40.008 17.311 7.808 266 HB3 PHE 39 HB1 PHE 39 38.957 18.553 8.492 267 HD1 PHE 39 HD1 PHE 39 39.456 19.534 10.724 268 HD2 PHE 39 HD2 PHE 39 42.136 16.781 8.802 269 HE1 PHE 39 HE1 PHE 39 41.268 20.216 12.274 270 HE2 PHE 39 HE2 PHE 39 43.948 17.463 10.353 271 HZ PHE 39 HZ PHE 39 43.514 19.181 12.089 272 H LEU 40 HN LEU 40 36.315 17.296 9.776 273 HA LEU 40 HA LEU 40 36.700 17.799 12.654 274 HB2 LEU 40 HB2 LEU 40 35.246 19.836 12.406 275 HB3 LEU 40 HB1 LEU 40 36.836 19.987 11.659 276 HG LEU 40 HG LEU 40 34.904 18.826 9.818 277 HD11 LEU 40 HD11 LEU 40 34.343 21.607 10.894 278 HD12 LEU 40 HD12 LEU 40 33.311 20.196 11.118 279 HD13 LEU 40 HD13 LEU 40 33.552 20.865 9.505 280 HD21 LEU 40 HD21 LEU 40 37.124 19.828 9.254 281 HD22 LEU 40 HD22 LEU 40 36.503 21.406 9.741 282 HD23 LEU 40 HD23 LEU 40 35.799 20.571 8.356 283 H LEU 41 HN LEU 41 35.001 16.306 10.211 284 HA LEU 41 HA LEU 41 32.767 15.730 12.041 285 HB2 LEU 41 HB2 LEU 41 32.590 16.712 9.203 286 HB3 LEU 41 HB1 LEU 41 31.312 15.709 9.892 287 HG LEU 41 HG LEU 41 32.281 18.054 11.479 288 HD11 LEU 41 HD11 LEU 41 31.952 18.973 9.218 289 HD12 LEU 41 HD12 LEU 41 30.671 19.518 10.300 290 HD13 LEU 41 HD13 LEU 41 30.356 18.227 9.139 291 HD21 LEU 41 HD21 LEU 41 29.429 17.236 11.055 292 HD22 LEU 41 HD22 LEU 41 30.205 17.870 12.505 293 HD23 LEU 41 HD23 LEU 41 30.464 16.192 12.029 294 H GLY 42 HN GLY 42 34.140 13.798 12.347 295 HA2 GLY 42 HA2 GLY 42 33.190 11.495 11.310 296 HA3 GLY 42 HA1 GLY 42 34.403 11.956 10.120 297 H THR 43 HN THR 43 35.869 13.294 12.483 298 HA THR 43 HA THR 43 36.906 10.873 13.801 299 HB THR 43 HB THR 43 38.347 11.408 11.833 300 HG1 THR 43 HG1 THR 43 39.444 11.856 14.409 301 HG21 THR 43 HG21 THR 43 37.879 13.926 12.088 302 HG22 THR 43 HG22 THR 43 39.529 13.454 11.683 303 HG23 THR 43 HG23 THR 43 39.122 13.905 13.339 304 H THR 44 HN THR 44 36.921 14.418 13.647 305 HA THR 44 HA THR 44 38.079 14.999 16.101 306 HB THR 44 HB THR 44 35.930 16.396 14.511 307 HG1 THR 44 HG1 THR 44 38.015 17.860 14.739 308 HG21 THR 44 HG21 THR 44 35.444 17.134 16.705 309 HG22 THR 44 HG22 THR 44 36.530 18.365 16.064 310 HG23 THR 44 HG23 THR 44 37.146 17.137 17.169 311 H GLY 45 HN GLY 45 35.287 13.237 15.519 312 HA2 GLY 45 HA2 GLY 45 34.309 12.084 17.445 313 HA3 GLY 45 HA1 GLY 45 34.376 13.614 18.311 314 H ASN 46 HN ASN 46 33.573 14.358 15.212 315 HA ASN 46 HA ASN 46 31.622 15.308 14.393 316 HB2 ASN 46 HB2 ASN 46 31.439 13.050 13.556 317 HB3 ASN 46 HB1 ASN 46 30.780 12.489 15.091 318 HD21 ASN 46 HD21 ASN 46 29.844 15.591 13.638 319 HD22 ASN 46 HD22 ASN 46 28.247 15.134 13.285 320 H GLY 47 HN GLY 47 31.756 16.546 16.621 321 HA2 GLY 47 HA2 GLY 47 29.153 17.053 17.482 322 HA3 GLY 47 HA1 GLY 47 29.865 15.939 18.646 323 H LEU 48 HN LEU 48 31.442 18.543 16.821 324 HA LEU 48 HA LEU 48 31.811 20.049 19.324 325 HB2 LEU 48 HB2 LEU 48 33.952 18.967 17.522 326 HB3 LEU 48 HB1 LEU 48 34.220 20.470 18.407 327 HG LEU 48 HG LEU 48 33.110 18.150 19.925 328 HD11 LEU 48 HD11 LEU 48 35.865 18.319 18.743 329 HD12 LEU 48 HD12 LEU 48 34.829 16.907 18.960 330 HD13 LEU 48 HD13 LEU 48 35.659 17.614 20.346 331 HD21 LEU 48 HD21 LEU 48 34.486 19.150 21.703 332 HD22 LEU 48 HD22 LEU 48 33.464 20.379 20.958 333 HD23 LEU 48 HD23 LEU 48 35.176 20.287 20.544 334 H VAL 49 HN VAL 49 32.302 20.026 15.799 335 HA VAL 49 HA VAL 49 32.609 22.777 15.418 336 HB VAL 49 HB VAL 49 32.946 20.950 13.702 337 HG11 VAL 49 HG11 VAL 49 31.107 20.037 12.548 338 HG12 VAL 49 HG12 VAL 49 30.005 21.283 13.135 339 HG13 VAL 49 HG13 VAL 49 30.574 20.022 14.229 340 HG21 VAL 49 HG21 VAL 49 31.164 23.249 12.840 341 HG22 VAL 49 HG22 VAL 49 32.335 22.392 11.838 342 HG23 VAL 49 HG23 VAL 49 32.889 23.403 13.172 343 H LEU 50 HN LEU 50 29.860 20.994 16.382 344 HA LEU 50 HA LEU 50 28.060 23.238 15.698 345 HB2 LEU 50 HB2 LEU 50 26.222 21.627 16.022 346 HB3 LEU 50 HB1 LEU 50 27.355 21.075 14.787 347 HG LEU 50 HG LEU 50 28.446 20.034 17.099 348 HD11 LEU 50 HD11 LEU 50 26.703 19.094 18.424 349 HD12 LEU 50 HD12 LEU 50 25.465 19.548 17.253 350 HD13 LEU 50 HD13 LEU 50 26.265 20.789 18.218 351 HD21 LEU 50 HD21 LEU 50 26.550 18.885 15.039 352 HD22 LEU 50 HD22 LEU 50 27.326 17.880 16.263 353 HD23 LEU 50 HD23 LEU 50 28.308 18.755 15.089 354 H TRP 51 HN TRP 51 29.916 22.203 18.168 355 HA TRP 51 HA TRP 51 27.987 22.564 20.320 356 HB2 TRP 51 HB2 TRP 51 29.661 20.886 20.702 357 HB3 TRP 51 HB1 TRP 51 30.958 22.006 20.288 358 HD1 TRP 51 HD1 TRP 51 27.959 22.287 22.730 359 HE1 TRP 51 HE1 TRP 51 28.860 23.102 25.004 360 HE3 TRP 51 HE3 TRP 51 32.944 22.560 21.657 361 HZ2 TRP 51 HZ2 TRP 51 31.365 23.781 26.207 362 HZ3 TRP 51 HZ3 TRP 51 34.563 23.292 23.384 363 HH2 TRP 51 HH2 TRP 51 33.780 23.903 25.656 364 H THR 52 HN THR 52 31.148 23.815 20.817 365 HA THR 52 HA THR 52 30.514 26.199 21.939 366 HB THR 52 HB THR 52 32.811 25.407 21.824 367 HG1 THR 52 HG1 THR 52 33.557 27.378 21.825 368 HG21 THR 52 HG21 THR 52 32.668 26.134 18.886 369 HG22 THR 52 HG22 THR 52 32.696 24.490 19.526 370 HG23 THR 52 HG23 THR 52 34.094 25.544 19.739 371 H VAL 53 HN VAL 53 30.558 25.456 18.510 372 HA VAL 53 HA VAL 53 30.382 28.073 17.485 373 HB VAL 53 HB VAL 53 29.464 25.396 16.444 374 HG11 VAL 53 HG11 VAL 53 29.279 26.763 14.235 375 HG12 VAL 53 HG12 VAL 53 29.091 28.159 15.298 376 HG13 VAL 53 HG13 VAL 53 27.934 26.830 15.374 377 HG21 VAL 53 HG21 VAL 53 31.664 27.341 15.665 378 HG22 VAL 53 HG22 VAL 53 31.325 25.817 14.845 379 HG23 VAL 53 HG23 VAL 53 31.885 25.812 16.516 380 H PHE 54 HN PHE 54 27.802 25.723 18.219 381 HA PHE 54 HA PHE 54 25.606 27.286 17.541 382 HB2 PHE 54 HB2 PHE 54 26.089 24.980 19.340 383 HB3 PHE 54 HB1 PHE 54 24.613 25.902 19.632 384 HD1 PHE 54 HD2 PHE 54 26.571 24.814 16.622 385 HD2 PHE 54 HD1 PHE 54 22.738 25.030 18.548 386 HE1 PHE 54 HE2 PHE 54 25.520 23.724 14.655 387 HE2 PHE 54 HE1 PHE 54 21.688 23.941 16.583 388 HZ PHE 54 HZ PHE 54 23.079 23.288 14.636 389 H ARG 55 HN ARG 55 27.806 27.629 20.158 390 HA ARG 55 HA ARG 55 25.989 29.473 21.568 391 HB2 ARG 55 HB2 ARG 55 28.613 28.955 22.779 392 HB3 ARG 55 HB1 ARG 55 27.006 28.874 23.495 393 HG2 ARG 55 HG2 ARG 55 28.252 26.751 21.720 394 HG3 ARG 55 HG1 ARG 55 28.063 26.648 23.467 395 HD2 ARG 55 HD2 ARG 55 25.518 27.323 22.446 396 HD3 ARG 55 HD1 ARG 55 26.143 26.047 21.407 397 HE ARG 55 HE ARG 55 26.662 25.087 23.886 398 HH11 ARG 55 HH21 ARG 55 23.866 26.474 22.391 399 HH12 ARG 55 HH22 ARG 55 22.737 25.558 23.333 400 HH21 ARG 55 HH11 ARG 55 25.188 23.881 25.123 401 HH22 ARG 55 HH12 ARG 55 23.486 24.089 24.879 402 H LYS 56 HN LYS 56 28.864 29.301 19.648 403 HA LYS 56 HA LYS 56 30.037 31.780 20.376 404 HB2 LYS 56 HB2 LYS 56 30.982 29.775 18.977 405 HB3 LYS 56 HB1 LYS 56 30.273 30.641 17.613 406 HG2 LYS 56 HG2 LYS 56 32.328 31.669 17.629 407 HG3 LYS 56 HG1 LYS 56 31.513 32.703 18.802 408 HD2 LYS 56 HD2 LYS 56 32.386 31.304 20.643 409 HD3 LYS 56 HD1 LYS 56 33.213 30.281 19.468 410 HE2 LYS 56 HE2 LYS 56 34.920 31.747 20.065 411 HE3 LYS 56 HE1 LYS 56 34.249 32.560 18.651 412 HZ1 LYS 56 HZ1 LYS 56 32.806 33.300 20.959 413 HZ2 LYS 56 HZ2 LYS 56 33.696 34.284 19.898 414 HZ3 LYS 56 HZ3 LYS 56 34.461 33.556 21.230 415 H LYS 57 HN LYS 57 28.159 30.910 17.463 416 HA LYS 57 HA LYS 57 27.082 32.277 15.938 417 HB2 LYS 57 HB2 LYS 57 25.710 32.129 18.285 418 HB3 LYS 57 HB1 LYS 57 25.888 33.875 18.122 419 HG2 LYS 57 HG2 LYS 57 24.783 32.044 15.965 420 HG3 LYS 57 HG1 LYS 57 23.805 33.030 17.048 421 HD2 LYS 57 HD2 LYS 57 24.946 35.066 16.204 422 HD3 LYS 57 HD1 LYS 57 25.861 34.067 15.074 423 HE2 LYS 57 HE2 LYS 57 24.152 34.157 13.617 424 HE3 LYS 57 HE1 LYS 57 23.106 33.378 14.804 425 HZ1 LYS 57 HZ1 LYS 57 22.043 35.281 15.091 426 HZ2 LYS 57 HZ2 LYS 57 23.015 36.015 13.906 427 HZ3 LYS 57 HZ3 LYS 57 23.481 36.061 15.538 428 H GLY 58 HN GLY 58 29.717 33.208 16.647 429 HA2 GLY 58 HA2 GLY 58 29.409 36.133 16.738 430 HA3 GLY 58 HA1 GLY 58 30.909 35.246 16.990 431 H HIS 59 HN HIS 59 28.439 35.386 14.410 432 HA HIS 59 HA HIS 59 30.527 36.170 12.502 433 HB2 HIS 59 HB2 HIS 59 28.649 33.855 11.987 434 HB3 HIS 59 HB1 HIS 59 29.934 34.438 10.928 435 HD2 HIS 59 HD2 HIS 59 29.747 32.836 14.577 436 HE1 HIS 59 HE1 HIS 59 33.466 31.883 12.823 437 HE2 HIS 59 HE2 HIS 59 31.994 31.536 14.862 438 H HIS 60 HN HIS 60 27.176 35.906 13.424 439 HA HIS 60 HA HIS 60 26.525 38.052 11.523 440 HB2 HIS 60 HB2 HIS 60 25.872 35.794 10.566 441 HB3 HIS 60 HB1 HIS 60 24.724 35.655 11.898 442 HD2 HIS 60 HD2 HIS 60 24.576 36.847 8.378 443 HE1 HIS 60 HE1 HIS 60 21.872 39.372 10.413 444 HE2 HIS 60 HE2 HIS 60 22.643 38.583 8.125 445 H HIS 61 HN HIS 61 26.708 39.243 13.581 446 HA HIS 61 HA HIS 61 24.434 38.825 15.407 447 HB2 HIS 61 HB2 HIS 61 27.173 39.797 15.718 448 HB3 HIS 61 HB1 HIS 61 25.981 40.856 16.471 449 HD2 HIS 61 HD2 HIS 61 24.036 39.151 18.116 450 HE1 HIS 61 HE1 HIS 61 27.161 36.501 19.136 451 HE2 HIS 61 HE2 HIS 61 24.803 37.240 19.721 452 H HIS 62 HN HIS 62 22.671 39.959 14.921 453 HA HIS 62 HA HIS 62 22.915 42.496 13.476 454 HB2 HIS 62 HB2 HIS 62 20.595 42.289 12.999 455 HB3 HIS 62 HB1 HIS 62 21.264 40.667 12.820 456 HD2 HIS 62 HD2 HIS 62 19.053 42.663 15.427 457 HE1 HIS 62 HE1 HIS 62 18.754 38.539 16.276 458 HE2 HIS 62 HE2 HIS 62 17.875 40.842 16.883 459 H HIS 63 HN HIS 63 21.052 44.103 14.212 460 HA HIS 63 HA HIS 63 20.490 44.265 17.004 461 HB2 HIS 63 HB2 HIS 63 23.056 44.902 16.592 462 HB3 HIS 63 HB1 HIS 63 22.331 46.465 16.211 463 HD2 HIS 63 HD2 HIS 63 21.192 47.819 18.422 464 HE1 HIS 63 HE1 HIS 63 22.239 44.935 21.323 465 HE2 HIS 63 HE2 HIS 63 21.306 47.271 20.972 466 H HIS 64 HN HIS 64 18.961 44.455 14.666 467 HA HIS 64 HA HIS 64 18.436 46.928 13.589 468 HB2 HIS 64 HB2 HIS 64 17.275 44.645 13.181 469 HB3 HIS 64 HB1 HIS 64 16.176 45.150 14.465 470 HD2 HIS 64 HD2 HIS 64 15.658 45.155 10.959 471 HE1 HIS 64 HE1 HIS 64 14.778 49.186 11.849 472 HE2 HIS 64 HE2 HIS 64 14.539 47.355 10.107 Start of MODEL 35 1 H1 MET 1 HT1 MET 1 52.775 -19.122 -14.396 2 H2 MET 1 HT2 MET 1 51.770 -20.449 -14.734 3 H3 MET 1 HT3 MET 1 51.305 -19.301 -13.571 4 HA MET 1 HA MET 1 51.675 -17.763 -15.756 5 HB2 MET 1 HB2 MET 1 50.726 -20.515 -16.535 6 HB3 MET 1 HB1 MET 1 50.199 -19.093 -17.436 7 HG2 MET 1 HG2 MET 1 53.121 -19.544 -16.859 8 HG3 MET 1 HG1 MET 1 52.345 -20.326 -18.236 9 HE1 MET 1 HE1 MET 1 53.113 -18.898 -20.606 10 HE2 MET 1 HE2 MET 1 54.219 -19.342 -19.307 11 HE3 MET 1 HE3 MET 1 54.298 -17.728 -20.009 12 H GLU 2 HN GLU 2 49.817 -16.526 -16.065 13 HA GLU 2 HA GLU 2 47.763 -15.633 -15.553 14 HB2 GLU 2 HB2 GLU 2 47.203 -18.130 -16.346 15 HB3 GLU 2 HB1 GLU 2 46.665 -18.252 -14.671 16 HG2 GLU 2 HG2 GLU 2 45.724 -16.293 -16.775 17 HG3 GLU 2 HG1 GLU 2 44.768 -17.513 -15.934 18 H GLU 3 HN GLU 3 49.735 -15.580 -13.564 19 HA GLU 3 HA GLU 3 49.243 -16.511 -11.057 20 HB2 GLU 3 HB2 GLU 3 50.294 -13.919 -12.088 21 HB3 GLU 3 HB1 GLU 3 49.914 -14.025 -10.368 22 HG2 GLU 3 HG2 GLU 3 51.504 -16.215 -11.667 23 HG3 GLU 3 HG1 GLU 3 52.306 -14.713 -11.211 24 H GLY 4 HN GLY 4 48.063 -15.764 -9.228 25 HA2 GLY 4 HA2 GLY 4 46.130 -13.700 -9.309 26 HA3 GLY 4 HA1 GLY 4 45.352 -15.238 -9.668 27 H GLY 5 HN GLY 5 48.141 -15.029 -7.573 28 HA2 GLY 5 HA2 GLY 5 47.024 -16.486 -5.475 29 HA3 GLY 5 HA1 GLY 5 48.422 -15.425 -5.323 30 H ASP 6 HN ASP 6 47.517 -15.030 -3.151 31 HA ASP 6 HA ASP 6 45.044 -13.811 -2.662 32 HB2 ASP 6 HB2 ASP 6 47.134 -14.618 -1.106 33 HB3 ASP 6 HB1 ASP 6 47.286 -12.865 -0.998 34 H PHE 7 HN PHE 7 48.129 -12.453 -3.684 35 HA PHE 7 HA PHE 7 46.748 -9.928 -4.297 36 HB2 PHE 7 HB2 PHE 7 48.412 -8.578 -3.279 37 HB3 PHE 7 HB1 PHE 7 48.007 -9.802 -2.075 38 HD1 PHE 7 HD2 PHE 7 49.465 -11.917 -1.969 39 HD2 PHE 7 HD1 PHE 7 50.627 -8.350 -4.061 40 HE1 PHE 7 HE2 PHE 7 51.830 -12.662 -1.927 41 HE2 PHE 7 HE1 PHE 7 52.992 -9.096 -4.020 42 HZ PHE 7 HZ PHE 7 53.594 -11.252 -2.953 43 H ASP 8 HN ASP 8 49.168 -12.297 -4.962 44 HA ASP 8 HA ASP 8 50.786 -10.970 -6.815 45 HB2 ASP 8 HB2 ASP 8 51.118 -13.298 -5.875 46 HB3 ASP 8 HB1 ASP 8 49.913 -13.853 -7.036 47 H ASN 9 HN ASN 9 49.977 -9.752 -8.418 48 HA ASN 9 HA ASN 9 47.696 -10.766 -9.976 49 HB2 ASN 9 HB2 ASN 9 48.903 -8.047 -10.350 50 HB3 ASN 9 HB1 ASN 9 47.235 -8.568 -10.581 51 HD21 ASN 9 HD21 ASN 9 49.040 -6.696 -8.560 52 HD22 ASN 9 HD22 ASN 9 48.164 -6.892 -7.119 53 H TYR 10 HN TYR 10 50.915 -9.309 -10.452 54 HA TYR 10 HA TYR 10 51.187 -10.900 -12.915 55 HB2 TYR 10 HB2 TYR 10 52.267 -8.121 -12.931 56 HB3 TYR 10 HB1 TYR 10 51.677 -9.108 -14.269 57 HD1 TYR 10 HD1 TYR 10 49.136 -9.646 -14.308 58 HD2 TYR 10 HD2 TYR 10 50.874 -6.493 -11.966 59 HE1 TYR 10 HE1 TYR 10 46.919 -8.545 -14.145 60 HE2 TYR 10 HE2 TYR 10 48.658 -5.391 -11.802 61 HH TYR 10 HH TYR 10 45.750 -6.906 -13.182 62 H TYR 11 HN TYR 11 52.666 -9.081 -10.298 63 HA TYR 11 HA TYR 11 54.703 -9.294 -9.258 64 HB2 TYR 11 HB2 TYR 11 54.025 -11.785 -9.551 65 HB3 TYR 11 HB1 TYR 11 55.224 -11.794 -10.844 66 HD1 TYR 11 HD2 TYR 11 57.604 -11.402 -10.367 67 HD2 TYR 11 HD1 TYR 11 54.678 -11.515 -7.223 68 HE1 TYR 11 HE2 TYR 11 59.417 -11.617 -8.687 69 HE2 TYR 11 HE1 TYR 11 56.491 -11.731 -5.544 70 HH TYR 11 HH TYR 11 59.413 -10.927 -5.883 71 H GLY 12 HN GLY 12 55.969 -7.680 -9.978 72 HA2 GLY 12 HA2 GLY 12 57.852 -6.816 -11.042 73 HA3 GLY 12 HA1 GLY 12 57.913 -8.261 -12.048 74 H ALA 13 HN ALA 13 55.058 -7.972 -12.787 75 HA ALA 13 HA ALA 13 55.460 -6.135 -15.008 76 HB1 ALA 13 HB1 ALA 13 54.187 -7.646 -16.060 77 HB2 ALA 13 HB2 ALA 13 52.832 -7.210 -15.020 78 HB3 ALA 13 HB3 ALA 13 53.929 -8.506 -14.542 79 H ASP 14 HN ASP 14 53.952 -6.140 -11.930 80 HA ASP 14 HA ASP 14 51.813 -4.371 -12.330 81 HB2 ASP 14 HB2 ASP 14 52.286 -5.667 -10.233 82 HB3 ASP 14 HB1 ASP 14 53.577 -4.519 -9.879 83 H ASN 15 HN ASN 15 55.154 -3.852 -12.619 84 HA ASN 15 HA ASN 15 55.467 -1.205 -11.760 85 HB2 ASN 15 HB2 ASN 15 57.178 -2.971 -12.735 86 HB3 ASN 15 HB1 ASN 15 56.840 -2.132 -14.248 87 HD21 ASN 15 HD21 ASN 15 58.180 -0.367 -14.619 88 HD22 ASN 15 HD22 ASN 15 58.951 0.542 -13.411 89 H GLN 16 HN GLN 16 54.170 -2.525 -14.761 90 HA GLN 16 HA GLN 16 53.695 0.202 -15.768 91 HB2 GLN 16 HB2 GLN 16 53.207 -2.374 -17.263 92 HB3 GLN 16 HB1 GLN 16 53.428 -0.753 -17.922 93 HG2 GLN 16 HG2 GLN 16 55.759 -0.904 -16.688 94 HG3 GLN 16 HG1 GLN 16 55.475 -2.639 -16.809 95 HE21 GLN 16 HE21 GLN 16 56.910 -0.111 -18.447 96 HE22 GLN 16 HE22 GLN 16 56.838 -0.735 -20.025 97 H SER 17 HN SER 17 52.142 -0.591 -13.584 98 HA SER 17 HA SER 17 49.495 -0.304 -14.711 99 HB2 SER 17 HB2 SER 17 50.459 -2.913 -13.876 100 HB3 SER 17 HB1 SER 17 49.057 -2.410 -12.936 101 HG SER 17 HG SER 17 49.316 -2.930 -15.663 102 H GLU 18 HN GLU 18 47.927 0.305 -13.143 103 HA GLU 18 HA GLU 18 47.324 1.635 -11.355 104 HB2 GLU 18 HB2 GLU 18 47.583 -0.841 -10.498 105 HB3 GLU 18 HB1 GLU 18 48.946 -0.169 -9.601 106 HG2 GLU 18 HG2 GLU 18 47.389 1.623 -8.744 107 HG3 GLU 18 HG1 GLU 18 46.058 0.733 -9.481 108 H CYS 19 HN CYS 19 49.598 2.608 -12.686 109 HA CYS 19 HA CYS 19 51.063 3.849 -10.437 110 HB2 CYS 19 HB2 CYS 19 52.102 2.511 -12.874 111 HB3 CYS 19 HB1 CYS 19 52.888 4.019 -12.408 112 HG CYS 19 HG CYS 19 53.653 1.576 -11.147 113 H GLU 20 HN GLU 20 49.392 5.498 -10.643 114 HA GLU 20 HA GLU 20 48.615 7.537 -11.351 115 HB2 GLU 20 HB2 GLU 20 51.322 7.665 -12.708 116 HB3 GLU 20 HB1 GLU 20 50.249 9.033 -12.415 117 HG2 GLU 20 HG2 GLU 20 51.142 7.268 -10.142 118 HG3 GLU 20 HG1 GLU 20 52.159 8.589 -10.710 119 H TYR 21 HN TYR 21 48.575 5.002 -13.152 120 HA TYR 21 HA TYR 21 47.984 6.349 -15.711 121 HB2 TYR 21 HB2 TYR 21 48.554 3.455 -15.045 122 HB3 TYR 21 HB1 TYR 21 48.001 4.000 -16.628 123 HD1 TYR 21 HD2 TYR 21 49.357 6.097 -17.595 124 HD2 TYR 21 HD1 TYR 21 50.859 3.297 -14.702 125 HE1 TYR 21 HE2 TYR 21 51.681 6.713 -18.204 126 HE2 TYR 21 HE1 TYR 21 53.181 3.913 -15.312 127 HH TYR 21 HH TYR 21 54.322 4.900 -17.439 128 H THR 22 HN THR 22 45.930 7.115 -15.306 129 HA THR 22 HA THR 22 43.643 7.030 -15.313 130 HB THR 22 HB THR 22 44.407 4.623 -16.543 131 HG1 THR 22 HG1 THR 22 42.887 5.435 -17.689 132 HG21 THR 22 HG21 THR 22 42.759 2.998 -15.825 133 HG22 THR 22 HG22 THR 22 42.109 4.110 -14.626 134 HG23 THR 22 HG23 THR 22 43.730 3.437 -14.425 135 H ASP 23 HN ASP 23 45.595 5.477 -13.045 136 HA ASP 23 HA ASP 23 43.446 4.769 -11.216 137 HB2 ASP 23 HB2 ASP 23 45.414 4.321 -9.656 138 HB3 ASP 23 HB1 ASP 23 45.331 3.330 -11.112 139 H TRP 24 HN TRP 24 43.799 7.575 -12.130 140 HA TRP 24 HA TRP 24 43.831 8.800 -9.461 141 HB2 TRP 24 HB2 TRP 24 45.120 10.752 -10.484 142 HB3 TRP 24 HB1 TRP 24 46.047 9.287 -10.160 143 HD1 TRP 24 HD1 TRP 24 46.189 7.545 -12.372 144 HE1 TRP 24 HE1 TRP 24 46.631 8.176 -14.833 145 HE3 TRP 24 HE3 TRP 24 44.934 12.494 -12.253 146 HZ2 TRP 24 HZ2 TRP 24 46.472 10.475 -16.527 147 HZ3 TRP 24 HZ3 TRP 24 45.089 13.879 -14.302 148 HH2 TRP 24 HH2 TRP 24 45.856 12.877 -16.436 149 H LYS 25 HN LYS 25 43.658 9.921 -12.847 150 HA LYS 25 HA LYS 25 42.132 11.272 -13.909 151 HB2 LYS 25 HB2 LYS 25 40.359 9.529 -12.199 152 HB3 LYS 25 HB1 LYS 25 39.706 10.702 -13.343 153 HG2 LYS 25 HG2 LYS 25 41.824 8.838 -14.326 154 HG3 LYS 25 HG1 LYS 25 40.206 8.182 -14.070 155 HD2 LYS 25 HD2 LYS 25 39.246 9.546 -15.694 156 HD3 LYS 25 HD1 LYS 25 40.509 10.770 -15.558 157 HE2 LYS 25 HE2 LYS 25 42.076 9.431 -16.758 158 HE3 LYS 25 HE1 LYS 25 41.064 7.993 -16.619 159 HZ1 LYS 25 HZ1 LYS 25 39.409 9.053 -18.010 160 HZ2 LYS 25 HZ2 LYS 25 40.904 8.994 -18.816 161 HZ3 LYS 25 HZ3 LYS 25 40.362 10.451 -18.130 162 H SER 26 HN SER 26 43.078 11.841 -10.942 163 HA SER 26 HA SER 26 42.189 14.469 -10.767 164 HB2 SER 26 HB2 SER 26 40.642 14.021 -8.676 165 HB3 SER 26 HB1 SER 26 39.979 13.975 -10.307 166 HG SER 26 HG SER 26 40.165 12.011 -8.474 167 H SER 27 HN SER 27 42.069 12.138 -8.097 168 HA SER 27 HA SER 27 43.443 11.818 -6.281 169 HB2 SER 27 HB2 SER 27 45.644 11.593 -6.760 170 HB3 SER 27 HB1 SER 27 45.150 11.933 -8.415 171 HG SER 27 HG SER 27 46.837 13.315 -7.693 172 H GLY 28 HN GLY 28 42.509 14.760 -7.452 173 HA2 GLY 28 HA2 GLY 28 42.775 16.038 -4.894 174 HA3 GLY 28 HA1 GLY 28 43.849 16.737 -6.101 175 H ALA 29 HN ALA 29 40.841 15.366 -7.132 176 HA ALA 29 HA ALA 29 39.876 18.067 -7.803 177 HB1 ALA 29 HB1 ALA 29 40.169 16.218 -9.567 178 HB2 ALA 29 HB2 ALA 29 38.632 17.084 -9.553 179 HB3 ALA 29 HB3 ALA 29 38.745 15.473 -8.842 180 H LEU 30 HN LEU 30 39.130 15.211 -5.954 181 HA LEU 30 HA LEU 30 36.799 16.609 -4.820 182 HB2 LEU 30 HB2 LEU 30 35.529 14.487 -4.798 183 HB3 LEU 30 HB1 LEU 30 35.901 15.013 -6.440 184 HG LEU 30 HG LEU 30 38.108 13.487 -5.793 185 HD11 LEU 30 HD11 LEU 30 35.689 11.956 -4.823 186 HD12 LEU 30 HD12 LEU 30 36.764 12.808 -3.715 187 HD13 LEU 30 HD13 LEU 30 37.387 11.492 -4.710 188 HD21 LEU 30 HD21 LEU 30 36.942 11.743 -7.234 189 HD22 LEU 30 HD22 LEU 30 37.007 13.364 -7.927 190 HD23 LEU 30 HD23 LEU 30 35.515 12.778 -7.190 191 H ILE 31 HN ILE 31 39.735 15.347 -4.266 192 HA ILE 31 HA ILE 31 39.241 13.815 -1.886 193 HB ILE 31 HB ILE 31 41.884 15.105 -2.458 194 HG12 ILE 31 HG12 ILE 31 41.147 14.293 -4.648 195 HG13 ILE 31 HG11 ILE 31 42.380 13.211 -4.007 196 HG21 ILE 31 HG21 ILE 31 42.700 12.967 -1.568 197 HG22 ILE 31 HG22 ILE 31 41.044 12.372 -1.457 198 HG23 ILE 31 HG23 ILE 31 41.567 13.717 -0.443 199 HD11 ILE 31 HD11 ILE 31 39.381 12.754 -3.970 200 HD12 ILE 31 HD12 ILE 31 40.552 11.711 -3.165 201 HD13 ILE 31 HD13 ILE 31 40.572 11.870 -4.919 202 HA PRO 32 HA PRO 32 40.669 18.058 0.097 203 HB2 PRO 32 HB2 PRO 32 39.158 19.925 -1.631 204 HB3 PRO 32 HB1 PRO 32 40.811 20.055 -1.007 205 HG2 PRO 32 HG2 PRO 32 40.291 19.543 -3.585 206 HG3 PRO 32 HG1 PRO 32 41.707 18.881 -2.750 207 HD2 PRO 32 HD2 PRO 32 39.149 17.515 -3.497 208 HD3 PRO 32 HD1 PRO 32 40.805 16.874 -3.472 209 H ALA 33 HN ALA 33 37.787 16.742 -0.971 210 HA ALA 33 HA ALA 33 36.135 18.301 0.911 211 HB1 ALA 33 HB1 ALA 33 34.213 17.284 -0.231 212 HB2 ALA 33 HB2 ALA 33 35.307 16.340 -1.243 213 HB3 ALA 33 HB3 ALA 33 35.270 18.098 -1.386 214 H ILE 34 HN ILE 34 35.882 14.927 -0.169 215 HA ILE 34 HA ILE 34 34.809 13.807 2.061 216 HB ILE 34 HB ILE 34 36.522 11.817 1.388 217 HG12 ILE 34 HG12 ILE 34 36.186 13.344 -1.189 218 HG13 ILE 34 HG11 ILE 34 37.613 13.588 -0.182 219 HG21 ILE 34 HG21 ILE 34 34.052 12.805 -0.060 220 HG22 ILE 34 HG22 ILE 34 34.128 11.612 1.237 221 HG23 ILE 34 HG23 ILE 34 34.781 11.227 -0.355 222 HD11 ILE 34 HD11 ILE 34 37.952 11.840 -1.936 223 HD12 ILE 34 HD12 ILE 34 36.668 10.889 -1.189 224 HD13 ILE 34 HD13 ILE 34 38.155 11.216 -0.299 225 H TYR 35 HN TYR 35 38.335 13.736 1.476 226 HA TYR 35 HA TYR 35 39.117 12.878 3.991 227 HB2 TYR 35 HB2 TYR 35 41.076 12.983 2.910 228 HB3 TYR 35 HB1 TYR 35 40.386 14.049 1.685 229 HD1 TYR 35 HD1 TYR 35 40.513 16.486 1.910 230 HD2 TYR 35 HD2 TYR 35 42.239 13.881 4.858 231 HE1 TYR 35 HE1 TYR 35 41.779 18.397 2.857 232 HE2 TYR 35 HE2 TYR 35 43.505 15.792 5.805 233 HH TYR 35 HH TYR 35 44.202 17.931 5.367 234 H MET 36 HN MET 36 38.612 16.212 2.857 235 HA MET 36 HA MET 36 39.398 17.509 5.233 236 HB2 MET 36 HB2 MET 36 39.162 18.781 3.203 237 HB3 MET 36 HB1 MET 36 37.460 18.338 3.063 238 HG2 MET 36 HG2 MET 36 36.839 19.668 4.915 239 HG3 MET 36 HG1 MET 36 38.500 19.782 5.498 240 HE1 MET 36 HE1 MET 36 36.332 22.156 2.313 241 HE2 MET 36 HE2 MET 36 35.816 21.924 3.982 242 HE3 MET 36 HE3 MET 36 35.957 20.534 2.909 243 H LEU 37 HN LEU 37 36.343 16.077 4.225 244 HA LEU 37 HA LEU 37 34.828 17.128 6.428 245 HB2 LEU 37 HB2 LEU 37 34.308 14.928 4.425 246 HB3 LEU 37 HB1 LEU 37 33.162 15.355 5.697 247 HG LEU 37 HG LEU 37 34.258 17.563 4.006 248 HD11 LEU 37 HD11 LEU 37 32.124 17.020 2.535 249 HD12 LEU 37 HD12 LEU 37 32.435 15.372 3.080 250 HD13 LEU 37 HD13 LEU 37 33.670 16.252 2.180 251 HD21 LEU 37 HD21 LEU 37 32.561 17.599 6.041 252 HD22 LEU 37 HD22 LEU 37 31.395 17.148 4.797 253 HD23 LEU 37 HD23 LEU 37 32.304 18.652 4.649 254 H VAL 38 HN VAL 38 37.244 15.916 7.302 255 HA VAL 38 HA VAL 38 36.121 13.803 9.022 256 HB VAL 38 HB VAL 38 38.813 13.669 7.642 257 HG11 VAL 38 HG11 VAL 38 39.357 12.340 9.382 258 HG12 VAL 38 HG12 VAL 38 38.145 11.205 8.789 259 HG13 VAL 38 HG13 VAL 38 37.713 12.395 10.018 260 HG21 VAL 38 HG21 VAL 38 36.925 13.158 6.140 261 HG22 VAL 38 HG22 VAL 38 36.287 12.014 7.320 262 HG23 VAL 38 HG23 VAL 38 37.827 11.691 6.521 263 H PHE 39 HN PHE 39 38.597 16.249 8.461 264 HA PHE 39 HA PHE 39 39.862 16.103 10.986 265 HB2 PHE 39 HB2 PHE 39 41.073 17.331 9.427 266 HB3 PHE 39 HB1 PHE 39 39.649 18.196 8.849 267 HD1 PHE 39 HD2 PHE 39 41.356 17.651 12.154 268 HD2 PHE 39 HD1 PHE 39 39.601 20.458 9.416 269 HE1 PHE 39 HE2 PHE 39 41.847 19.498 13.733 270 HE2 PHE 39 HE1 PHE 39 40.093 22.305 10.995 271 HZ PHE 39 HZ PHE 39 41.216 21.825 13.153 272 H LEU 40 HN LEU 40 36.832 17.379 9.968 273 HA LEU 40 HA LEU 40 36.345 18.375 12.701 274 HB2 LEU 40 HB2 LEU 40 35.106 20.290 11.790 275 HB3 LEU 40 HB1 LEU 40 36.787 20.323 11.254 276 HG LEU 40 HG LEU 40 35.428 18.775 9.339 277 HD11 LEU 40 HD11 LEU 40 33.924 21.344 9.923 278 HD12 LEU 40 HD12 LEU 40 33.322 19.731 10.303 279 HD13 LEU 40 HD13 LEU 40 33.589 20.198 8.624 280 HD21 LEU 40 HD21 LEU 40 37.304 20.281 8.892 281 HD22 LEU 40 HD22 LEU 40 36.315 21.679 9.318 282 HD23 LEU 40 HD23 LEU 40 35.935 20.736 7.877 283 H LEU 41 HN LEU 41 35.583 16.162 10.492 284 HA LEU 41 HA LEU 41 32.916 15.760 11.584 285 HB2 LEU 41 HB2 LEU 41 32.681 17.221 9.514 286 HB3 LEU 41 HB1 LEU 41 33.281 15.847 8.587 287 HG LEU 41 HG LEU 41 31.396 14.553 9.950 288 HD11 LEU 41 HD11 LEU 41 30.944 16.922 11.066 289 HD12 LEU 41 HD12 LEU 41 29.610 15.832 10.692 290 HD13 LEU 41 HD13 LEU 41 29.985 17.172 9.608 291 HD21 LEU 41 HD21 LEU 41 29.786 15.298 8.044 292 HD22 LEU 41 HD22 LEU 41 31.302 14.515 7.594 293 HD23 LEU 41 HD23 LEU 41 31.148 16.267 7.483 294 H GLY 42 HN GLY 42 34.502 14.076 12.439 295 HA2 GLY 42 HA2 GLY 42 33.905 11.557 11.509 296 HA3 GLY 42 HA1 GLY 42 35.395 11.998 10.679 297 H THR 43 HN THR 43 36.121 13.700 13.084 298 HA THR 43 HA THR 43 36.843 11.544 14.971 299 HB THR 43 HB THR 43 38.778 12.026 13.520 300 HG1 THR 43 HG1 THR 43 40.078 12.020 15.194 301 HG21 THR 43 HG21 THR 43 37.904 14.496 13.255 302 HG22 THR 43 HG22 THR 43 39.634 14.162 13.189 303 HG23 THR 43 HG23 THR 43 38.913 14.791 14.671 304 H THR 44 HN THR 44 36.607 15.050 14.429 305 HA THR 44 HA THR 44 36.895 15.950 17.037 306 HB THR 44 HB THR 44 36.487 17.234 14.771 307 HG1 THR 44 HG1 THR 44 36.140 17.853 17.404 308 HG21 THR 44 HG21 THR 44 34.283 17.943 14.359 309 HG22 THR 44 HG22 THR 44 33.727 17.452 15.959 310 HG23 THR 44 HG23 THR 44 34.094 16.231 14.739 311 H GLY 45 HN GLY 45 34.571 13.872 15.806 312 HA2 GLY 45 HA2 GLY 45 33.137 12.735 17.417 313 HA3 GLY 45 HA1 GLY 45 32.827 14.304 18.157 314 H ASN 46 HN ASN 46 32.800 13.142 14.801 315 HA ASN 46 HA ASN 46 30.684 14.708 13.901 316 HB2 ASN 46 HB2 ASN 46 31.985 13.639 12.259 317 HB3 ASN 46 HB1 ASN 46 31.796 12.058 13.017 318 HD21 ASN 46 HD21 ASN 46 30.965 11.280 10.871 319 HD22 ASN 46 HD22 ASN 46 29.359 11.612 10.434 320 H GLY 47 HN GLY 47 29.170 14.636 15.692 321 HA2 GLY 47 HA2 GLY 47 26.808 13.472 15.364 322 HA3 GLY 47 HA1 GLY 47 27.700 12.140 16.096 323 H LEU 48 HN LEU 48 29.266 14.449 17.513 324 HA LEU 48 HA LEU 48 27.528 14.469 19.862 325 HB2 LEU 48 HB2 LEU 48 30.424 15.113 19.363 326 HB3 LEU 48 HB1 LEU 48 29.638 15.626 20.854 327 HG LEU 48 HG LEU 48 30.801 13.381 20.998 328 HD11 LEU 48 HD11 LEU 48 28.318 14.174 22.043 329 HD12 LEU 48 HD12 LEU 48 29.329 12.853 22.624 330 HD13 LEU 48 HD13 LEU 48 28.053 12.535 21.450 331 HD21 LEU 48 HD21 LEU 48 29.916 11.499 19.833 332 HD22 LEU 48 HD22 LEU 48 30.064 12.771 18.620 333 HD23 LEU 48 HD23 LEU 48 28.488 12.397 19.317 334 H VAL 49 HN VAL 49 28.589 16.563 17.329 335 HA VAL 49 HA VAL 49 27.760 18.975 18.770 336 HB VAL 49 HB VAL 49 28.522 20.125 16.662 337 HG11 VAL 49 HG11 VAL 49 31.002 19.198 17.039 338 HG12 VAL 49 HG12 VAL 49 30.236 18.435 18.433 339 HG13 VAL 49 HG13 VAL 49 30.193 20.189 18.253 340 HG21 VAL 49 HG21 VAL 49 29.582 17.373 15.954 341 HG22 VAL 49 HG22 VAL 49 29.702 18.846 14.990 342 HG23 VAL 49 HG23 VAL 49 28.136 18.071 15.225 343 H LEU 50 HN LEU 50 25.951 16.731 17.739 344 HA LEU 50 HA LEU 50 24.047 18.509 16.345 345 HB2 LEU 50 HB2 LEU 50 24.574 15.599 15.693 346 HB3 LEU 50 HB1 LEU 50 23.321 16.603 14.966 347 HG LEU 50 HG LEU 50 25.662 18.109 14.692 348 HD11 LEU 50 HD11 LEU 50 26.934 16.046 15.287 349 HD12 LEU 50 HD12 LEU 50 27.252 16.583 13.636 350 HD13 LEU 50 HD13 LEU 50 26.173 15.218 13.928 351 HD21 LEU 50 HD21 LEU 50 25.361 17.602 12.291 352 HD22 LEU 50 HD22 LEU 50 23.808 17.909 13.069 353 HD23 LEU 50 HD23 LEU 50 24.301 16.255 12.709 354 H TRP 51 HN TRP 51 24.694 16.708 19.021 355 HA TRP 51 HA TRP 51 21.907 15.842 19.416 356 HB2 TRP 51 HB2 TRP 51 22.929 14.034 20.271 357 HB3 TRP 51 HB1 TRP 51 24.498 14.841 20.269 358 HD1 TRP 51 HD1 TRP 51 21.242 14.919 22.367 359 HE1 TRP 51 HE1 TRP 51 21.894 15.274 24.837 360 HE3 TRP 51 HE3 TRP 51 26.306 15.369 21.888 361 HZ2 TRP 51 HZ2 TRP 51 24.251 15.694 26.401 362 HZ3 TRP 51 HZ3 TRP 51 27.729 15.746 23.882 363 HH2 TRP 51 HH2 TRP 51 26.708 15.909 26.135 364 H THR 52 HN THR 52 24.502 17.364 21.346 365 HA THR 52 HA THR 52 22.593 18.543 23.160 366 HB THR 52 HB THR 52 24.771 17.857 23.999 367 HG1 THR 52 HG1 THR 52 25.459 20.134 24.643 368 HG21 THR 52 HG21 THR 52 25.899 19.937 22.105 369 HG22 THR 52 HG22 THR 52 26.022 18.191 21.884 370 HG23 THR 52 HG23 THR 52 26.824 18.965 23.250 371 H VAL 53 HN VAL 53 24.495 19.587 20.396 372 HA VAL 53 HA VAL 53 24.092 22.378 20.697 373 HB VAL 53 HB VAL 53 24.622 20.726 18.216 374 HG11 VAL 53 HG11 VAL 53 25.493 22.981 17.381 375 HG12 VAL 53 HG12 VAL 53 24.625 23.707 18.734 376 HG13 VAL 53 HG13 VAL 53 23.739 22.826 17.490 377 HG21 VAL 53 HG21 VAL 53 26.395 20.533 19.883 378 HG22 VAL 53 HG22 VAL 53 26.424 22.283 20.099 379 HG23 VAL 53 HG23 VAL 53 26.950 21.575 18.572 380 H PHE 54 HN PHE 54 22.019 19.831 19.717 381 HA PHE 54 HA PHE 54 20.218 21.546 18.203 382 HB2 PHE 54 HB2 PHE 54 20.753 18.890 18.045 383 HB3 PHE 54 HB1 PHE 54 19.306 18.865 19.053 384 HD1 PHE 54 HD1 PHE 54 20.687 19.772 15.760 385 HD2 PHE 54 HD2 PHE 54 17.161 19.673 18.212 386 HE1 PHE 54 HE1 PHE 54 19.282 20.191 13.759 387 HE2 PHE 54 HE2 PHE 54 15.758 20.092 16.211 388 HZ PHE 54 HZ PHE 54 16.818 20.350 13.985 389 H ARG 55 HN ARG 55 20.743 20.690 21.450 390 HA ARG 55 HA ARG 55 17.962 21.190 22.236 391 HB2 ARG 55 HB2 ARG 55 20.398 20.177 23.690 392 HB3 ARG 55 HB1 ARG 55 18.959 20.705 24.562 393 HG2 ARG 55 HG2 ARG 55 17.682 18.946 23.805 394 HG3 ARG 55 HG1 ARG 55 18.554 18.835 22.275 395 HD2 ARG 55 HD2 ARG 55 20.399 17.716 23.300 396 HD3 ARG 55 HD1 ARG 55 19.815 18.088 24.920 397 HE ARG 55 HE ARG 55 18.897 15.939 23.200 398 HH11 ARG 55 HH21 ARG 55 18.230 18.029 25.876 399 HH12 ARG 55 HH22 ARG 55 17.077 16.960 26.602 400 HH21 ARG 55 HH11 ARG 55 17.387 14.531 24.146 401 HH22 ARG 55 HH12 ARG 55 16.600 14.980 25.623 402 H LYS 56 HN LYS 56 21.041 22.743 22.070 403 HA LYS 56 HA LYS 56 20.626 24.724 24.074 404 HB2 LYS 56 HB2 LYS 56 22.440 24.575 21.666 405 HB3 LYS 56 HB1 LYS 56 22.426 25.960 22.759 406 HG2 LYS 56 HG2 LYS 56 22.931 24.476 24.659 407 HG3 LYS 56 HG1 LYS 56 22.932 23.082 23.577 408 HD2 LYS 56 HD2 LYS 56 24.787 24.107 22.287 409 HD3 LYS 56 HD1 LYS 56 24.811 25.458 23.420 410 HE2 LYS 56 HE2 LYS 56 24.885 23.007 24.910 411 HE3 LYS 56 HE1 LYS 56 26.140 22.956 23.671 412 HZ1 LYS 56 HZ1 LYS 56 27.252 24.099 25.255 413 HZ2 LYS 56 HZ2 LYS 56 25.847 24.750 25.953 414 HZ3 LYS 56 HZ3 LYS 56 26.477 25.420 24.526 415 H LYS 57 HN LYS 57 20.351 24.847 20.516 416 HA LYS 57 HA LYS 57 19.359 27.465 20.346 417 HB2 LYS 57 HB2 LYS 57 18.552 26.811 18.111 418 HB3 LYS 57 HB1 LYS 57 20.194 26.233 18.397 419 HG2 LYS 57 HG2 LYS 57 19.399 24.205 17.772 420 HG3 LYS 57 HG1 LYS 57 18.663 24.157 19.374 421 HD2 LYS 57 HD2 LYS 57 16.683 25.418 18.308 422 HD3 LYS 57 HD1 LYS 57 17.392 24.967 16.757 423 HE2 LYS 57 HE2 LYS 57 17.456 22.559 17.791 424 HE3 LYS 57 HE1 LYS 57 16.238 23.198 18.894 425 HZ1 LYS 57 HZ1 LYS 57 16.053 22.629 16.056 426 HZ2 LYS 57 HZ2 LYS 57 15.308 24.070 16.560 427 HZ3 LYS 57 HZ3 LYS 57 14.853 22.587 17.252 428 H GLY 58 HN GLY 58 17.973 24.904 21.892 429 HA2 GLY 58 HA2 GLY 58 15.900 24.671 22.883 430 HA3 GLY 58 HA1 GLY 58 15.457 26.236 22.208 431 H HIS 59 HN HIS 59 14.480 26.345 20.170 432 HA HIS 59 HA HIS 59 14.114 24.103 18.462 433 HB2 HIS 59 HB2 HIS 59 12.512 23.947 20.694 434 HB3 HIS 59 HB1 HIS 59 11.457 24.743 19.525 435 HD2 HIS 59 HD2 HIS 59 13.981 21.688 18.997 436 HE1 HIS 59 HE1 HIS 59 10.216 20.704 17.358 437 HE2 HIS 59 HE2 HIS 59 12.596 19.888 17.709 438 H HIS 60 HN HIS 60 14.735 26.985 18.441 439 HA HIS 60 HA HIS 60 12.793 27.762 16.373 440 HB2 HIS 60 HB2 HIS 60 13.018 28.984 18.958 441 HB3 HIS 60 HB1 HIS 60 13.551 30.132 17.730 442 HD2 HIS 60 HD2 HIS 60 11.518 31.027 15.974 443 HE1 HIS 60 HE1 HIS 60 8.366 28.874 17.777 444 HE2 HIS 60 HE2 HIS 60 8.935 30.659 16.062 445 H HIS 61 HN HIS 61 13.692 29.999 15.418 446 HA HIS 61 HA HIS 61 16.617 29.907 15.198 447 HB2 HIS 61 HB2 HIS 61 15.640 28.451 13.394 448 HB3 HIS 61 HB1 HIS 61 14.831 29.883 12.758 449 HD2 HIS 61 HD2 HIS 61 18.067 31.278 13.878 450 HE1 HIS 61 HE1 HIS 61 18.926 29.784 10.024 451 HE2 HIS 61 HE2 HIS 61 19.768 31.280 11.897 452 H HIS 62 HN HIS 62 16.163 31.887 16.492 453 HA HIS 62 HA HIS 62 14.870 34.119 15.224 454 HB2 HIS 62 HB2 HIS 62 16.189 33.560 17.789 455 HB3 HIS 62 HB1 HIS 62 16.429 35.206 17.203 456 HD2 HIS 62 HD2 HIS 62 13.033 33.295 16.571 457 HE1 HIS 62 HE1 HIS 62 12.292 36.504 19.212 458 HE2 HIS 62 HE2 HIS 62 11.206 34.663 17.841 459 H HIS 63 HN HIS 63 18.270 33.404 16.051 460 HA HIS 63 HA HIS 63 19.315 34.330 13.600 461 HB2 HIS 63 HB2 HIS 63 20.445 36.412 14.568 462 HB3 HIS 63 HB1 HIS 63 18.728 36.550 14.190 463 HD2 HIS 63 HD2 HIS 63 20.900 35.861 17.462 464 HE1 HIS 63 HE1 HIS 63 17.235 37.637 18.571 465 HE2 HIS 63 HE2 HIS 63 19.471 36.800 19.436 466 H HIS 64 HN HIS 64 19.727 32.116 15.252 467 HA HIS 64 HA HIS 64 21.343 30.917 16.392 468 HB2 HIS 64 HB2 HIS 64 22.224 31.419 13.980 469 HB3 HIS 64 HB1 HIS 64 23.364 32.476 14.814 470 HD2 HIS 64 HD2 HIS 64 22.963 28.747 14.017 471 HE1 HIS 64 HE1 HIS 64 25.877 28.993 17.062 472 HE2 HIS 64 HE2 HIS 64 24.794 27.454 15.356 Start of MODEL 36 1 H1 MET 1 HT1 MET 1 54.191 4.511 -14.271 2 H2 MET 1 HT2 MET 1 54.585 2.905 -14.667 3 H3 MET 1 HT3 MET 1 54.972 3.525 -13.133 4 HA MET 1 HA MET 1 53.040 2.078 -13.016 5 HB2 MET 1 HB2 MET 1 51.429 4.030 -12.204 6 HB3 MET 1 HB1 MET 1 52.902 3.645 -11.316 7 HG2 MET 1 HG2 MET 1 54.107 5.436 -12.384 8 HG3 MET 1 HG1 MET 1 52.782 5.728 -13.511 9 HE1 MET 1 HE1 MET 1 53.014 8.853 -11.333 10 HE2 MET 1 HE2 MET 1 53.929 7.874 -12.476 11 HE3 MET 1 HE3 MET 1 54.281 7.763 -10.754 12 H GLU 2 HN GLU 2 52.782 1.536 -15.388 13 HA GLU 2 HA GLU 2 50.179 2.521 -16.281 14 HB2 GLU 2 HB2 GLU 2 51.727 4.008 -17.438 15 HB3 GLU 2 HB1 GLU 2 52.656 2.624 -18.019 16 HG2 GLU 2 HG2 GLU 2 51.082 2.048 -19.588 17 HG3 GLU 2 HG1 GLU 2 49.737 2.615 -18.599 18 H GLU 3 HN GLU 3 49.735 0.310 -15.505 19 HA GLU 3 HA GLU 3 50.842 -2.014 -16.593 20 HB2 GLU 3 HB2 GLU 3 48.016 -1.502 -15.636 21 HB3 GLU 3 HB1 GLU 3 48.701 -3.098 -15.941 22 HG2 GLU 3 HG2 GLU 3 50.530 -2.533 -14.295 23 HG3 GLU 3 HG1 GLU 3 49.630 -1.072 -13.892 24 H GLY 4 HN GLY 4 49.621 -3.564 -18.043 25 HA2 GLY 4 HA2 GLY 4 47.708 -3.162 -19.864 26 HA3 GLY 4 HA1 GLY 4 49.008 -2.182 -20.536 27 H GLY 5 HN GLY 5 51.215 -3.745 -19.872 28 HA2 GLY 5 HA2 GLY 5 51.545 -6.319 -20.141 29 HA3 GLY 5 HA1 GLY 5 50.841 -5.999 -21.724 30 H ASP 6 HN ASP 6 52.492 -6.231 -23.122 31 HA ASP 6 HA ASP 6 55.198 -5.682 -22.605 32 HB2 ASP 6 HB2 ASP 6 53.560 -6.107 -25.069 33 HB3 ASP 6 HB1 ASP 6 55.202 -5.488 -25.242 34 H PHE 7 HN PHE 7 54.912 -3.575 -21.501 35 HA PHE 7 HA PHE 7 55.383 -1.407 -23.397 36 HB2 PHE 7 HB2 PHE 7 53.133 -1.377 -21.378 37 HB3 PHE 7 HB1 PHE 7 53.769 0.078 -22.145 38 HD1 PHE 7 HD1 PHE 7 53.546 0.424 -24.582 39 HD2 PHE 7 HD2 PHE 7 51.814 -2.984 -22.623 40 HE1 PHE 7 HE1 PHE 7 52.147 -0.015 -26.582 41 HE2 PHE 7 HE2 PHE 7 50.414 -3.422 -24.623 42 HZ PHE 7 HZ PHE 7 50.581 -1.938 -26.602 43 H ASP 8 HN ASP 8 54.496 -0.098 -20.495 44 HA ASP 8 HA ASP 8 55.786 1.035 -18.940 45 HB2 ASP 8 HB2 ASP 8 55.483 -1.436 -18.157 46 HB3 ASP 8 HB1 ASP 8 57.201 -1.580 -18.523 47 H ASN 9 HN ASN 9 57.028 2.434 -20.184 48 HA ASN 9 HA ASN 9 59.828 1.580 -20.592 49 HB2 ASN 9 HB2 ASN 9 58.068 2.036 -22.660 50 HB3 ASN 9 HB1 ASN 9 58.866 3.597 -22.487 51 HD21 ASN 9 HD21 ASN 9 60.862 3.778 -23.517 52 HD22 ASN 9 HD22 ASN 9 61.821 2.465 -24.006 53 H TYR 10 HN TYR 10 57.725 3.648 -19.087 54 HA TYR 10 HA TYR 10 57.998 5.526 -17.816 55 HB2 TYR 10 HB2 TYR 10 60.681 4.428 -18.013 56 HB3 TYR 10 HB1 TYR 10 60.709 6.188 -17.923 57 HD1 TYR 10 HD1 TYR 10 58.516 3.521 -16.448 58 HD2 TYR 10 HD2 TYR 10 61.035 6.927 -15.731 59 HE1 TYR 10 HE1 TYR 10 57.997 3.396 -14.027 60 HE2 TYR 10 HE2 TYR 10 60.515 6.801 -13.311 61 HH TYR 10 HH TYR 10 58.899 4.094 -11.916 62 H TYR 11 HN TYR 11 59.731 5.477 -20.890 63 HA TYR 11 HA TYR 11 59.709 7.007 -22.613 64 HB2 TYR 11 HB2 TYR 11 57.323 7.452 -21.530 65 HB3 TYR 11 HB1 TYR 11 58.087 8.967 -21.049 66 HD1 TYR 11 HD2 TYR 11 57.871 6.735 -24.063 67 HD2 TYR 11 HD1 TYR 11 57.956 10.753 -22.545 68 HE1 TYR 11 HE2 TYR 11 57.566 7.610 -26.363 69 HE2 TYR 11 HE1 TYR 11 57.652 11.627 -24.844 70 HH TYR 11 HH TYR 11 57.578 9.444 -27.647 71 H GLY 12 HN GLY 12 59.479 9.948 -22.006 72 HA2 GLY 12 HA2 GLY 12 62.065 10.751 -21.989 73 HA3 GLY 12 HA1 GLY 12 60.790 11.706 -21.237 74 H ALA 13 HN ALA 13 60.234 9.608 -19.237 75 HA ALA 13 HA ALA 13 60.849 9.061 -17.096 76 HB1 ALA 13 HB1 ALA 13 63.704 9.209 -17.265 77 HB2 ALA 13 HB2 ALA 13 63.086 8.467 -18.740 78 HB3 ALA 13 HB3 ALA 13 62.679 7.776 -17.170 79 H ASP 14 HN ASP 14 63.574 11.163 -18.037 80 HA ASP 14 HA ASP 14 63.853 12.547 -15.680 81 HB2 ASP 14 HB2 ASP 14 64.480 13.108 -18.516 82 HB3 ASP 14 HB1 ASP 14 64.425 14.513 -17.453 83 H ASN 15 HN ASN 15 61.421 12.954 -18.157 84 HA ASN 15 HA ASN 15 60.455 15.501 -17.439 85 HB2 ASN 15 HB2 ASN 15 59.755 14.521 -19.514 86 HB3 ASN 15 HB1 ASN 15 59.078 13.119 -18.688 87 HD21 ASN 15 HD21 ASN 15 58.608 16.618 -19.215 88 HD22 ASN 15 HD22 ASN 15 56.974 16.629 -18.756 89 H GLN 16 HN GLN 16 59.728 12.268 -16.212 90 HA GLN 16 HA GLN 16 57.864 13.427 -14.250 91 HB2 GLN 16 HB2 GLN 16 58.411 10.491 -14.643 92 HB3 GLN 16 HB1 GLN 16 56.980 11.262 -13.955 93 HG2 GLN 16 HG2 GLN 16 56.853 12.399 -16.349 94 HG3 GLN 16 HG1 GLN 16 57.787 10.980 -16.824 95 HE21 GLN 16 HE21 GLN 16 56.581 9.128 -14.915 96 HE22 GLN 16 HE22 GLN 16 54.978 8.875 -15.413 97 H SER 17 HN SER 17 60.583 14.021 -13.901 98 HA SER 17 HA SER 17 61.636 12.190 -11.895 99 HB2 SER 17 HB2 SER 17 62.645 14.660 -13.261 100 HB3 SER 17 HB1 SER 17 63.401 14.121 -11.764 101 HG SER 17 HG SER 17 64.463 12.878 -13.107 102 H GLU 18 HN GLU 18 60.158 12.321 -10.207 103 HA GLU 18 HA GLU 18 58.913 13.310 -8.506 104 HB2 GLU 18 HB2 GLU 18 60.460 14.290 -6.815 105 HB3 GLU 18 HB1 GLU 18 61.002 12.738 -7.449 106 HG2 GLU 18 HG2 GLU 18 62.608 13.795 -8.890 107 HG3 GLU 18 HG1 GLU 18 61.945 15.394 -8.557 108 H CYS 19 HN CYS 19 58.535 14.859 -10.773 109 HA CYS 19 HA CYS 19 59.031 17.641 -10.109 110 HB2 CYS 19 HB2 CYS 19 59.062 16.803 -12.463 111 HB3 CYS 19 HB1 CYS 19 57.332 16.481 -12.330 112 HG CYS 19 HG CYS 19 57.415 18.867 -13.253 113 H GLU 20 HN GLU 20 56.133 15.613 -10.603 114 HA GLU 20 HA GLU 20 54.758 16.652 -8.356 115 HB2 GLU 20 HB2 GLU 20 52.955 17.842 -9.761 116 HB3 GLU 20 HB1 GLU 20 54.463 18.709 -9.468 117 HG2 GLU 20 HG2 GLU 20 55.236 18.372 -11.648 118 HG3 GLU 20 HG1 GLU 20 54.192 16.976 -11.907 119 H TYR 21 HN TYR 21 55.334 14.172 -9.885 120 HA TYR 21 HA TYR 21 52.608 13.300 -10.587 121 HB2 TYR 21 HB2 TYR 21 55.332 12.124 -11.161 122 HB3 TYR 21 HB1 TYR 21 53.823 11.275 -11.499 123 HD1 TYR 21 HD1 TYR 21 55.552 14.539 -12.121 124 HD2 TYR 21 HD2 TYR 21 52.695 11.654 -13.522 125 HE1 TYR 21 HE1 TYR 21 55.314 15.803 -14.241 126 HE2 TYR 21 HE2 TYR 21 52.458 12.918 -15.641 127 HH TYR 21 HH TYR 21 53.303 15.979 -16.059 128 H THR 22 HN THR 22 53.484 13.722 -7.829 129 HA THR 22 HA THR 22 52.484 11.322 -6.683 130 HB THR 22 HB THR 22 54.771 10.532 -7.235 131 HG1 THR 22 HG1 THR 22 55.019 10.720 -4.538 132 HG21 THR 22 HG21 THR 22 55.605 13.032 -6.730 133 HG22 THR 22 HG22 THR 22 56.679 11.639 -6.596 134 HG23 THR 22 HG23 THR 22 55.928 12.317 -5.151 135 H ASP 23 HN ASP 23 54.228 14.347 -6.315 136 HA ASP 23 HA ASP 23 53.614 14.612 -3.503 137 HB2 ASP 23 HB2 ASP 23 55.577 15.658 -4.947 138 HB3 ASP 23 HB1 ASP 23 54.401 16.949 -5.187 139 H TRP 24 HN TRP 24 51.408 14.262 -5.495 140 HA TRP 24 HA TRP 24 49.805 16.568 -4.615 141 HB2 TRP 24 HB2 TRP 24 48.761 16.727 -6.841 142 HB3 TRP 24 HB1 TRP 24 50.494 17.050 -6.921 143 HD1 TRP 24 HD1 TRP 24 51.979 14.632 -7.388 144 HE1 TRP 24 HE1 TRP 24 51.490 12.887 -9.221 145 HE3 TRP 24 HE3 TRP 24 47.084 15.717 -8.355 146 HZ2 TRP 24 HZ2 TRP 24 49.312 12.061 -10.880 147 HZ3 TRP 24 HZ3 TRP 24 45.828 14.437 -10.065 148 HH2 TRP 24 HH2 TRP 24 46.935 12.612 -11.326 149 H LYS 25 HN LYS 25 49.521 13.545 -6.501 150 HA LYS 25 HA LYS 25 47.813 11.979 -6.531 151 HB2 LYS 25 HB2 LYS 25 49.050 12.142 -3.896 152 HB3 LYS 25 HB1 LYS 25 47.415 11.484 -3.829 153 HG2 LYS 25 HG2 LYS 25 47.947 9.759 -5.408 154 HG3 LYS 25 HG1 LYS 25 49.492 10.513 -5.803 155 HD2 LYS 25 HD2 LYS 25 49.239 10.005 -2.943 156 HD3 LYS 25 HD1 LYS 25 49.080 8.525 -3.890 157 HE2 LYS 25 HE2 LYS 25 51.195 8.886 -4.968 158 HE3 LYS 25 HE1 LYS 25 51.313 10.522 -4.319 159 HZ1 LYS 25 HZ1 LYS 25 50.947 8.854 -2.149 160 HZ2 LYS 25 HZ2 LYS 25 52.374 9.662 -2.595 161 HZ3 LYS 25 HZ3 LYS 25 52.092 8.075 -3.129 162 H SER 26 HN SER 26 46.017 13.069 -7.302 163 HA SER 26 HA SER 26 43.916 13.526 -5.349 164 HB2 SER 26 HB2 SER 26 45.309 15.734 -6.739 165 HB3 SER 26 HB1 SER 26 43.549 15.803 -6.776 166 HG SER 26 HG SER 26 43.665 16.443 -4.788 167 H SER 27 HN SER 27 42.268 12.420 -6.168 168 HA SER 27 HA SER 27 42.075 11.768 -8.956 169 HB2 SER 27 HB2 SER 27 41.248 10.392 -6.933 170 HB3 SER 27 HB1 SER 27 39.847 11.459 -6.954 171 HG SER 27 HG SER 27 39.733 9.459 -8.248 172 H GLY 28 HN GLY 28 42.200 14.378 -9.133 173 HA2 GLY 28 HA2 GLY 28 40.968 15.889 -10.498 174 HA3 GLY 28 HA1 GLY 28 39.475 15.164 -9.908 175 H ALA 29 HN ALA 29 41.692 15.657 -7.414 176 HA ALA 29 HA ALA 29 41.955 17.289 -5.796 177 HB1 ALA 29 HB1 ALA 29 41.632 19.493 -6.331 178 HB2 ALA 29 HB2 ALA 29 40.074 19.189 -7.099 179 HB3 ALA 29 HB3 ALA 29 41.568 18.822 -7.961 180 H LEU 30 HN LEU 30 39.558 15.393 -6.286 181 HA LEU 30 HA LEU 30 37.438 16.682 -4.769 182 HB2 LEU 30 HB2 LEU 30 37.785 14.063 -6.171 183 HB3 LEU 30 HB1 LEU 30 36.547 14.200 -4.921 184 HG LEU 30 HG LEU 30 35.553 16.117 -6.075 185 HD11 LEU 30 HD11 LEU 30 36.457 16.627 -8.412 186 HD12 LEU 30 HD12 LEU 30 37.894 15.717 -7.949 187 HD13 LEU 30 HD13 LEU 30 37.452 17.178 -7.064 188 HD21 LEU 30 HD21 LEU 30 36.084 13.670 -7.778 189 HD22 LEU 30 HD22 LEU 30 34.939 14.927 -8.247 190 HD23 LEU 30 HD23 LEU 30 34.673 13.998 -6.772 191 H ILE 31 HN ILE 31 40.224 14.786 -4.151 192 HA ILE 31 HA ILE 31 39.363 13.489 -1.775 193 HB ILE 31 HB ILE 31 42.029 14.049 -3.018 194 HG12 ILE 31 HG12 ILE 31 42.128 11.606 -3.005 195 HG13 ILE 31 HG11 ILE 31 40.634 11.528 -2.073 196 HG21 ILE 31 HG21 ILE 31 42.932 12.678 -1.013 197 HG22 ILE 31 HG22 ILE 31 41.463 13.185 -0.179 198 HG23 ILE 31 HG23 ILE 31 42.618 14.391 -0.743 199 HD11 ILE 31 HD11 ILE 31 40.689 12.995 -4.698 200 HD12 ILE 31 HD12 ILE 31 39.320 12.252 -3.871 201 HD13 ILE 31 HD13 ILE 31 40.522 11.239 -4.672 202 HA PRO 32 HA PRO 32 41.691 17.079 0.613 203 HB2 PRO 32 HB2 PRO 32 41.515 19.473 -0.869 204 HB3 PRO 32 HB1 PRO 32 42.984 18.532 -0.562 205 HG2 PRO 32 HG2 PRO 32 41.230 18.576 -2.951 206 HG3 PRO 32 HG1 PRO 32 42.985 18.355 -2.835 207 HD2 PRO 32 HD2 PRO 32 41.368 16.277 -3.339 208 HD3 PRO 32 HD1 PRO 32 42.804 16.094 -2.311 209 H ALA 33 HN ALA 33 38.887 17.095 -1.350 210 HA ALA 33 HA ALA 33 37.498 19.077 0.306 211 HB1 ALA 33 HB1 ALA 33 36.459 17.510 -2.065 212 HB2 ALA 33 HB2 ALA 33 37.231 19.091 -2.181 213 HB3 ALA 33 HB3 ALA 33 35.707 18.917 -1.312 214 H ILE 34 HN ILE 34 36.371 15.982 -1.036 215 HA ILE 34 HA ILE 34 34.481 15.389 0.866 216 HB ILE 34 HB ILE 34 36.296 13.445 -0.580 217 HG12 ILE 34 HG12 ILE 34 33.486 14.352 -1.262 218 HG13 ILE 34 HG11 ILE 34 34.931 15.080 -1.965 219 HG21 ILE 34 HG21 ILE 34 35.288 11.926 0.766 220 HG22 ILE 34 HG22 ILE 34 33.835 12.248 -0.179 221 HG23 ILE 34 HG23 ILE 34 34.106 13.100 1.342 222 HD11 ILE 34 HD11 ILE 34 35.627 12.795 -2.742 223 HD12 ILE 34 HD12 ILE 34 34.133 13.366 -3.483 224 HD13 ILE 34 HD13 ILE 34 34.073 12.182 -2.178 225 H TYR 35 HN TYR 35 37.962 14.948 1.054 226 HA TYR 35 HA TYR 35 37.932 13.373 3.445 227 HB2 TYR 35 HB2 TYR 35 39.828 13.451 1.797 228 HB3 TYR 35 HB1 TYR 35 40.190 15.077 2.375 229 HD1 TYR 35 HD2 TYR 35 39.721 11.560 3.560 230 HD2 TYR 35 HD1 TYR 35 41.518 15.391 4.291 231 HE1 TYR 35 HE2 TYR 35 40.986 10.601 5.465 232 HE2 TYR 35 HE1 TYR 35 42.785 14.433 6.196 233 HH TYR 35 HH TYR 35 43.438 11.465 6.661 234 H MET 36 HN MET 36 37.836 16.777 2.728 235 HA MET 36 HA MET 36 38.598 17.645 5.369 236 HB2 MET 36 HB2 MET 36 38.960 19.072 3.393 237 HB3 MET 36 HB1 MET 36 37.217 19.155 3.137 238 HG2 MET 36 HG2 MET 36 36.995 20.772 4.690 239 HG3 MET 36 HG1 MET 36 37.885 19.823 5.879 240 HE1 MET 36 HE1 MET 36 38.489 22.962 3.160 241 HE2 MET 36 HE2 MET 36 38.137 21.333 2.591 242 HE3 MET 36 HE3 MET 36 39.763 21.987 2.413 243 H LEU 37 HN LEU 37 35.548 17.320 3.575 244 HA LEU 37 HA LEU 37 33.922 18.262 5.742 245 HB2 LEU 37 HB2 LEU 37 33.040 16.568 3.401 246 HB3 LEU 37 HB1 LEU 37 32.054 17.663 4.370 247 HG LEU 37 HG LEU 37 34.368 18.476 2.587 248 HD11 LEU 37 HD11 LEU 37 31.787 19.657 2.010 249 HD12 LEU 37 HD12 LEU 37 31.685 17.897 1.960 250 HD13 LEU 37 HD13 LEU 37 32.852 18.741 0.942 251 HD21 LEU 37 HD21 LEU 37 32.626 19.941 4.553 252 HD22 LEU 37 HD22 LEU 37 33.243 20.789 3.136 253 HD23 LEU 37 HD23 LEU 37 34.366 20.077 4.295 254 H VAL 38 HN VAL 38 35.830 15.833 5.981 255 HA VAL 38 HA VAL 38 33.897 14.153 7.441 256 HB VAL 38 HB VAL 38 35.911 13.255 5.390 257 HG11 VAL 38 HG11 VAL 38 35.266 10.912 6.320 258 HG12 VAL 38 HG12 VAL 38 34.837 11.784 7.792 259 HG13 VAL 38 HG13 VAL 38 36.491 11.842 7.182 260 HG21 VAL 38 HG21 VAL 38 34.077 12.350 4.311 261 HG22 VAL 38 HG22 VAL 38 33.282 13.694 5.130 262 HG23 VAL 38 HG23 VAL 38 33.199 12.071 5.814 263 H PHE 39 HN PHE 39 37.033 15.566 7.120 264 HA PHE 39 HA PHE 39 38.375 14.090 9.150 265 HB2 PHE 39 HB2 PHE 39 39.861 15.236 7.796 266 HB3 PHE 39 HB1 PHE 39 38.849 16.678 7.725 267 HD1 PHE 39 HD1 PHE 39 40.129 14.650 10.608 268 HD2 PHE 39 HD2 PHE 39 40.038 18.472 8.648 269 HE1 PHE 39 HE1 PHE 39 41.413 15.643 12.482 270 HE2 PHE 39 HE2 PHE 39 41.322 19.465 10.522 271 HZ PHE 39 HZ PHE 39 42.010 18.050 12.441 272 H LEU 40 HN LEU 40 36.459 17.062 9.142 273 HA LEU 40 HA LEU 40 36.811 17.336 12.044 274 HB2 LEU 40 HB2 LEU 40 35.595 19.488 11.723 275 HB3 LEU 40 HB1 LEU 40 37.069 19.379 10.759 276 HG LEU 40 HG LEU 40 34.868 18.255 9.277 277 HD11 LEU 40 HD11 LEU 40 34.492 21.103 10.257 278 HD12 LEU 40 HD12 LEU 40 33.466 19.731 10.676 279 HD13 LEU 40 HD13 LEU 40 33.526 20.312 9.011 280 HD21 LEU 40 HD21 LEU 40 35.616 19.861 7.609 281 HD22 LEU 40 HD22 LEU 40 37.035 19.190 8.414 282 HD23 LEU 40 HD23 LEU 40 36.460 20.802 8.840 283 H LEU 41 HN LEU 41 34.904 15.573 10.099 284 HA LEU 41 HA LEU 41 32.680 15.629 12.030 285 HB2 LEU 41 HB2 LEU 41 32.512 15.926 9.046 286 HB3 LEU 41 HB1 LEU 41 31.194 15.164 9.938 287 HG LEU 41 HG LEU 41 32.268 17.737 11.003 288 HD11 LEU 41 HD11 LEU 41 30.697 17.421 8.448 289 HD12 LEU 41 HD12 LEU 41 32.090 18.455 8.764 290 HD13 LEU 41 HD13 LEU 41 30.517 18.862 9.449 291 HD21 LEU 41 HD21 LEU 41 29.473 16.597 10.682 292 HD22 LEU 41 HD22 LEU 41 29.907 18.032 11.610 293 HD23 LEU 41 HD23 LEU 41 30.466 16.441 12.131 294 H GLY 42 HN GLY 42 35.072 13.872 11.321 295 HA2 GLY 42 HA2 GLY 42 33.551 11.348 11.238 296 HA3 GLY 42 HA1 GLY 42 34.918 11.570 10.151 297 H THR 43 HN THR 43 35.433 13.213 13.031 298 HA THR 43 HA THR 43 36.429 11.029 14.619 299 HB THR 43 HB THR 43 38.306 12.698 12.969 300 HG1 THR 43 HG1 THR 43 37.565 10.125 13.198 301 HG21 THR 43 HG21 THR 43 38.730 11.580 15.730 302 HG22 THR 43 HG22 THR 43 39.213 13.149 15.085 303 HG23 THR 43 HG23 THR 43 40.076 11.690 14.595 304 H THR 44 HN THR 44 36.577 14.509 13.940 305 HA THR 44 HA THR 44 37.194 15.257 16.632 306 HB THR 44 HB THR 44 36.166 16.786 14.240 307 HG1 THR 44 HG1 THR 44 38.601 16.338 15.529 308 HG21 THR 44 HG21 THR 44 35.255 18.048 15.992 309 HG22 THR 44 HG22 THR 44 36.839 18.790 15.771 310 HG23 THR 44 HG23 THR 44 36.574 17.651 17.091 311 H GLY 45 HN GLY 45 34.339 14.263 15.049 312 HA2 GLY 45 HA2 GLY 45 32.272 15.658 16.177 313 HA3 GLY 45 HA1 GLY 45 32.214 13.920 15.893 314 H ASN 46 HN ASN 46 33.750 12.749 17.643 315 HA ASN 46 HA ASN 46 33.616 11.952 19.813 316 HB2 ASN 46 HB2 ASN 46 35.394 13.789 19.789 317 HB3 ASN 46 HB1 ASN 46 34.181 14.823 20.544 318 HD21 ASN 46 HD21 ASN 46 36.793 13.320 21.527 319 HD22 ASN 46 HD22 ASN 46 36.284 12.642 22.998 320 H GLY 47 HN GLY 47 31.413 11.449 19.989 321 HA2 GLY 47 HA2 GLY 47 29.945 12.256 22.078 322 HA3 GLY 47 HA1 GLY 47 29.537 13.487 20.886 323 H LEU 48 HN LEU 48 30.051 11.219 18.822 324 HA LEU 48 HA LEU 48 27.272 10.314 18.788 325 HB2 LEU 48 HB2 LEU 48 29.392 9.783 16.705 326 HB3 LEU 48 HB1 LEU 48 27.639 9.745 16.506 327 HG LEU 48 HG LEU 48 29.299 12.204 17.135 328 HD11 LEU 48 HD11 LEU 48 28.691 10.901 14.678 329 HD12 LEU 48 HD12 LEU 48 29.470 12.466 14.907 330 HD13 LEU 48 HD13 LEU 48 27.717 12.370 14.745 331 HD21 LEU 48 HD21 LEU 48 26.957 13.243 16.525 332 HD22 LEU 48 HD22 LEU 48 27.241 12.637 18.157 333 HD23 LEU 48 HD23 LEU 48 26.346 11.657 16.995 334 H VAL 49 HN VAL 49 29.895 9.247 20.306 335 HA VAL 49 HA VAL 49 29.515 6.402 19.634 336 HB VAL 49 HB VAL 49 31.714 7.894 21.064 337 HG11 VAL 49 HG11 VAL 49 32.738 5.513 21.153 338 HG12 VAL 49 HG12 VAL 49 31.077 4.947 20.972 339 HG13 VAL 49 HG13 VAL 49 31.525 5.932 22.364 340 HG21 VAL 49 HG21 VAL 49 31.480 7.619 18.468 341 HG22 VAL 49 HG22 VAL 49 31.975 5.955 18.775 342 HG23 VAL 49 HG23 VAL 49 33.039 7.287 19.224 343 H LEU 50 HN LEU 50 28.556 8.727 21.862 344 HA LEU 50 HA LEU 50 27.750 6.625 23.772 345 HB2 LEU 50 HB2 LEU 50 28.178 9.219 25.035 346 HB3 LEU 50 HB1 LEU 50 28.737 7.623 25.528 347 HG LEU 50 HG LEU 50 30.500 7.806 23.695 348 HD11 LEU 50 HD11 LEU 50 30.548 9.617 22.352 349 HD12 LEU 50 HD12 LEU 50 30.524 10.703 23.741 350 HD13 LEU 50 HD13 LEU 50 29.010 10.115 23.058 351 HD21 LEU 50 HD21 LEU 50 30.345 9.346 26.233 352 HD22 LEU 50 HD22 LEU 50 31.671 9.763 25.147 353 HD23 LEU 50 HD23 LEU 50 31.500 8.109 25.736 354 H TRP 51 HN TRP 51 26.566 8.437 21.521 355 HA TRP 51 HA TRP 51 24.391 9.669 23.075 356 HB2 TRP 51 HB2 TRP 51 25.017 11.282 21.563 357 HB3 TRP 51 HB1 TRP 51 25.542 10.104 20.361 358 HD1 TRP 51 HD1 TRP 51 22.148 10.910 22.058 359 HE1 TRP 51 HE1 TRP 51 20.334 10.948 20.227 360 HE3 TRP 51 HE3 TRP 51 25.010 9.868 17.960 361 HZ2 TRP 51 HZ2 TRP 51 20.124 10.585 17.398 362 HZ3 TRP 51 HZ3 TRP 51 23.978 9.721 15.711 363 HH2 TRP 51 HH2 TRP 51 21.541 10.077 15.426 364 H THR 52 HN THR 52 24.526 8.055 19.898 365 HA THR 52 HA THR 52 21.868 7.035 20.151 366 HB THR 52 HB THR 52 22.858 7.531 17.959 367 HG1 THR 52 HG1 THR 52 22.300 4.793 18.434 368 HG21 THR 52 HG21 THR 52 24.869 6.735 17.288 369 HG22 THR 52 HG22 THR 52 24.519 5.110 17.877 370 HG23 THR 52 HG23 THR 52 25.119 6.341 18.989 371 H VAL 53 HN VAL 53 25.078 5.769 20.783 372 HA VAL 53 HA VAL 53 24.404 3.030 20.985 373 HB VAL 53 HB VAL 53 26.617 4.675 22.220 374 HG11 VAL 53 HG11 VAL 53 25.882 1.784 22.539 375 HG12 VAL 53 HG12 VAL 53 26.548 2.904 23.728 376 HG13 VAL 53 HG13 VAL 53 27.587 2.229 22.474 377 HG21 VAL 53 HG21 VAL 53 27.003 2.486 20.223 378 HG22 VAL 53 HG22 VAL 53 27.885 4.002 20.410 379 HG23 VAL 53 HG23 VAL 53 26.294 3.996 19.647 380 H PHE 54 HN PHE 54 24.383 5.677 23.330 381 HA PHE 54 HA PHE 54 23.698 3.994 25.559 382 HB2 PHE 54 HB2 PHE 54 24.615 6.603 25.248 383 HB3 PHE 54 HB1 PHE 54 22.970 6.796 25.855 384 HD1 PHE 54 HD2 PHE 54 22.279 5.629 27.973 385 HD2 PHE 54 HD1 PHE 54 26.360 5.744 26.637 386 HE1 PHE 54 HE2 PHE 54 23.040 4.990 30.245 387 HE2 PHE 54 HE1 PHE 54 27.121 5.104 28.909 388 HZ PHE 54 HZ PHE 54 25.461 4.728 30.713 389 H ARG 55 HN ARG 55 21.989 4.036 23.056 390 HA ARG 55 HA ARG 55 19.418 4.365 24.457 391 HB2 ARG 55 HB2 ARG 55 20.007 5.349 21.654 392 HB3 ARG 55 HB1 ARG 55 18.426 5.367 22.439 393 HG2 ARG 55 HG2 ARG 55 19.289 6.851 24.193 394 HG3 ARG 55 HG1 ARG 55 20.893 6.808 23.458 395 HD2 ARG 55 HD2 ARG 55 20.303 8.528 22.142 396 HD3 ARG 55 HD1 ARG 55 19.084 7.499 21.394 397 HE ARG 55 HE ARG 55 18.063 8.488 23.832 398 HH11 ARG 55 HH21 ARG 55 19.013 9.529 20.671 399 HH12 ARG 55 HH22 ARG 55 17.901 10.855 20.623 400 HH21 ARG 55 HH11 ARG 55 16.602 10.226 23.775 401 HH22 ARG 55 HH12 ARG 55 16.536 11.251 22.380 402 H LYS 56 HN LYS 56 21.393 2.784 22.072 403 HA LYS 56 HA LYS 56 19.217 0.936 21.371 404 HB2 LYS 56 HB2 LYS 56 20.702 0.151 19.602 405 HB3 LYS 56 HB1 LYS 56 20.571 1.909 19.535 406 HG2 LYS 56 HG2 LYS 56 22.825 1.968 19.610 407 HG3 LYS 56 HG1 LYS 56 22.693 1.452 21.291 408 HD2 LYS 56 HD2 LYS 56 24.154 -0.117 20.219 409 HD3 LYS 56 HD1 LYS 56 22.608 -0.940 20.426 410 HE2 LYS 56 HE2 LYS 56 22.660 -1.361 18.209 411 HE3 LYS 56 HE1 LYS 56 22.369 0.362 17.965 412 HZ1 LYS 56 HZ1 LYS 56 24.850 0.631 18.183 413 HZ2 LYS 56 HZ2 LYS 56 24.308 -0.140 16.770 414 HZ3 LYS 56 HZ3 LYS 56 24.966 -1.055 18.041 415 H LYS 57 HN LYS 57 21.833 1.213 23.494 416 HA LYS 57 HA LYS 57 22.759 -1.455 23.590 417 HB2 LYS 57 HB2 LYS 57 23.782 0.681 24.630 418 HB3 LYS 57 HB1 LYS 57 22.684 0.376 25.975 419 HG2 LYS 57 HG2 LYS 57 24.553 -0.815 26.672 420 HG3 LYS 57 HG1 LYS 57 23.656 -2.071 25.821 421 HD2 LYS 57 HD2 LYS 57 25.666 -2.364 24.759 422 HD3 LYS 57 HD1 LYS 57 25.062 -1.051 23.748 423 HE2 LYS 57 HE2 LYS 57 26.848 -0.741 26.180 424 HE3 LYS 57 HE1 LYS 57 27.352 -0.567 24.499 425 HZ1 LYS 57 HZ1 LYS 57 25.416 1.126 25.978 426 HZ2 LYS 57 HZ2 LYS 57 25.660 1.221 24.299 427 HZ3 LYS 57 HZ3 LYS 57 26.929 1.589 25.367 428 H GLY 58 HN GLY 58 20.458 -2.331 23.335 429 HA2 GLY 58 HA2 GLY 58 18.812 -2.370 25.710 430 HA3 GLY 58 HA1 GLY 58 18.528 -3.271 24.223 431 H HIS 59 HN HIS 59 21.610 -3.410 25.844 432 HA HIS 59 HA HIS 59 21.133 -5.650 27.506 433 HB2 HIS 59 HB2 HIS 59 22.577 -7.201 25.922 434 HB3 HIS 59 HB1 HIS 59 20.825 -7.110 25.745 435 HD2 HIS 59 HD2 HIS 59 22.987 -4.152 24.353 436 HE1 HIS 59 HE1 HIS 59 21.490 -6.331 21.061 437 HE2 HIS 59 HE2 HIS 59 22.730 -4.225 21.755 438 H HIS 60 HN HIS 60 22.477 -4.513 28.900 439 HA HIS 60 HA HIS 60 24.938 -3.358 28.348 440 HB2 HIS 60 HB2 HIS 60 24.488 -4.847 30.918 441 HB3 HIS 60 HB1 HIS 60 25.295 -3.301 30.656 442 HD2 HIS 60 HD2 HIS 60 22.994 -1.580 29.176 443 HE1 HIS 60 HE1 HIS 60 20.421 -2.806 32.291 444 HE2 HIS 60 HE2 HIS 60 20.743 -1.123 30.417 445 H HIS 61 HN HIS 61 26.714 -4.207 27.492 446 HA HIS 61 HA HIS 61 28.479 -5.638 27.120 447 HB2 HIS 61 HB2 HIS 61 28.059 -6.006 29.710 448 HB3 HIS 61 HB1 HIS 61 27.492 -7.584 29.163 449 HD2 HIS 61 HD2 HIS 61 30.793 -5.434 28.470 450 HE1 HIS 61 HE1 HIS 61 31.789 -9.533 28.638 451 HE2 HIS 61 HE2 HIS 61 32.721 -7.190 28.343 452 H HIS 62 HN HIS 62 28.731 -8.305 26.952 453 HA HIS 62 HA HIS 62 26.368 -9.508 25.771 454 HB2 HIS 62 HB2 HIS 62 28.080 -8.019 24.114 455 HB3 HIS 62 HB1 HIS 62 28.489 -9.709 23.819 456 HD2 HIS 62 HD2 HIS 62 25.466 -11.017 24.045 457 HE1 HIS 62 HE1 HIS 62 24.429 -8.217 21.061 458 HE2 HIS 62 HE2 HIS 62 23.720 -10.363 22.217 459 H HIS 63 HN HIS 63 27.125 -11.682 24.670 460 HA HIS 63 HA HIS 63 29.493 -12.901 25.735 461 HB2 HIS 63 HB2 HIS 63 28.160 -14.627 27.073 462 HB3 HIS 63 HB1 HIS 63 28.345 -13.032 27.803 463 HD2 HIS 63 HD2 HIS 63 25.832 -13.050 29.107 464 HE1 HIS 63 HE1 HIS 63 23.493 -13.374 25.607 465 HE2 HIS 63 HE2 HIS 63 23.418 -12.974 28.113 466 H HIS 64 HN HIS 64 29.035 -12.852 23.203 467 HA HIS 64 HA HIS 64 27.270 -14.662 22.016 468 HB2 HIS 64 HB2 HIS 64 29.784 -13.312 21.228 469 HB3 HIS 64 HB1 HIS 64 29.377 -14.768 20.319 470 HD2 HIS 64 HD2 HIS 64 28.680 -11.157 19.917 471 HE1 HIS 64 HE1 HIS 64 25.116 -12.995 18.597 472 HE2 HIS 64 HE2 HIS 64 26.433 -10.824 18.630 Start of MODEL 37 1 H1 MET 1 HT1 MET 1 40.351 -6.168 8.590 2 H2 MET 1 HT2 MET 1 40.203 -7.036 7.137 3 H3 MET 1 HT3 MET 1 38.997 -7.156 8.330 4 HA MET 1 HA MET 1 38.331 -5.727 6.462 5 HB2 MET 1 HB2 MET 1 38.729 -4.297 9.108 6 HB3 MET 1 HB1 MET 1 37.543 -3.877 7.873 7 HG2 MET 1 HG2 MET 1 36.229 -5.192 9.255 8 HG3 MET 1 HG1 MET 1 36.848 -6.426 8.159 9 HE1 MET 1 HE1 MET 1 36.945 -8.557 11.213 10 HE2 MET 1 HE2 MET 1 36.162 -8.091 9.705 11 HE3 MET 1 HE3 MET 1 35.776 -7.230 11.192 12 H GLU 2 HN GLU 2 38.545 -2.999 6.461 13 HA GLU 2 HA GLU 2 39.794 -1.267 5.615 14 HB2 GLU 2 HB2 GLU 2 41.093 -1.906 7.808 15 HB3 GLU 2 HB1 GLU 2 42.301 -2.514 6.678 16 HG2 GLU 2 HG2 GLU 2 43.008 -0.318 6.874 17 HG3 GLU 2 HG1 GLU 2 41.902 -0.165 5.510 18 H GLU 3 HN GLU 3 39.253 -3.412 3.903 19 HA GLU 3 HA GLU 3 41.256 -4.656 2.535 20 HB2 GLU 3 HB2 GLU 3 38.624 -3.537 1.769 21 HB3 GLU 3 HB1 GLU 3 39.736 -3.867 0.441 22 HG2 GLU 3 HG2 GLU 3 40.027 -6.169 1.217 23 HG3 GLU 3 HG1 GLU 3 38.987 -5.854 2.605 24 H GLY 4 HN GLY 4 42.309 -4.106 0.462 25 HA2 GLY 4 HA2 GLY 4 42.736 -1.957 -0.946 26 HA3 GLY 4 HA1 GLY 4 43.389 -1.370 0.581 27 H GLY 5 HN GLY 5 44.750 -3.472 1.583 28 HA2 GLY 5 HA2 GLY 5 46.281 -5.234 0.457 29 HA3 GLY 5 HA1 GLY 5 46.905 -3.824 -0.395 30 H ASP 6 HN ASP 6 47.949 -5.789 1.764 31 HA ASP 6 HA ASP 6 48.439 -4.408 4.150 32 HB2 ASP 6 HB2 ASP 6 48.981 -6.885 3.363 33 HB3 ASP 6 HB1 ASP 6 50.561 -6.179 3.025 34 H PHE 7 HN PHE 7 49.341 -3.517 1.090 35 HA PHE 7 HA PHE 7 51.991 -2.625 1.374 36 HB2 PHE 7 HB2 PHE 7 50.036 -2.531 -0.610 37 HB3 PHE 7 HB1 PHE 7 50.363 -0.838 -0.242 38 HD1 PHE 7 HD1 PHE 7 51.999 -4.074 -1.118 39 HD2 PHE 7 HD2 PHE 7 52.375 0.202 -0.945 40 HE1 PHE 7 HE1 PHE 7 54.131 -4.209 -2.377 41 HE2 PHE 7 HE2 PHE 7 54.506 0.066 -2.204 42 HZ PHE 7 HZ PHE 7 55.385 -2.140 -2.919 43 H ASP 8 HN ASP 8 49.001 -0.678 1.589 44 HA ASP 8 HA ASP 8 50.184 1.657 2.558 45 HB2 ASP 8 HB2 ASP 8 47.411 0.615 3.180 46 HB3 ASP 8 HB1 ASP 8 47.949 2.288 3.307 47 H ASN 9 HN ASN 9 51.615 1.505 4.216 48 HA ASN 9 HA ASN 9 50.519 0.789 6.837 49 HB2 ASN 9 HB2 ASN 9 51.634 -1.256 5.966 50 HB3 ASN 9 HB1 ASN 9 53.133 -0.340 5.811 51 HD21 ASN 9 HD21 ASN 9 54.417 -0.116 7.682 52 HD22 ASN 9 HD22 ASN 9 53.935 -0.626 9.227 53 H TYR 10 HN TYR 10 53.198 2.124 4.950 54 HA TYR 10 HA TYR 10 54.085 3.697 7.263 55 HB2 TYR 10 HB2 TYR 10 55.424 4.013 4.639 56 HB3 TYR 10 HB1 TYR 10 56.121 3.836 6.250 57 HD1 TYR 10 HD1 TYR 10 54.669 2.028 3.369 58 HD2 TYR 10 HD2 TYR 10 56.597 1.658 7.189 59 HE1 TYR 10 HE1 TYR 10 55.063 -0.382 2.937 60 HE2 TYR 10 HE2 TYR 10 56.991 -0.752 6.758 61 HH TYR 10 HH TYR 10 56.603 -2.155 3.684 62 H TYR 11 HN TYR 11 53.241 4.240 3.835 63 HA TYR 11 HA TYR 11 52.409 6.088 2.751 64 HB2 TYR 11 HB2 TYR 11 50.436 5.635 4.088 65 HB3 TYR 11 HB1 TYR 11 51.132 6.488 5.466 66 HD1 TYR 11 HD2 TYR 11 50.166 6.981 1.883 67 HD2 TYR 11 HD1 TYR 11 50.777 8.795 5.730 68 HE1 TYR 11 HE2 TYR 11 49.260 9.123 1.018 69 HE2 TYR 11 HE1 TYR 11 49.870 10.934 4.865 70 HH TYR 11 HH TYR 11 49.655 12.043 2.566 71 H GLY 12 HN GLY 12 52.313 7.831 5.772 72 HA2 GLY 12 HA2 GLY 12 53.935 9.947 4.723 73 HA3 GLY 12 HA1 GLY 12 53.289 9.842 6.358 74 H ALA 13 HN ALA 13 55.653 8.043 4.369 75 HA ALA 13 HA ALA 13 57.350 7.694 6.727 76 HB1 ALA 13 HB1 ALA 13 58.608 6.138 5.366 77 HB2 ALA 13 HB2 ALA 13 57.750 6.653 3.915 78 HB3 ALA 13 HB3 ALA 13 56.890 5.783 5.185 79 H ASP 14 HN ASP 14 57.927 9.958 6.895 80 HA ASP 14 HA ASP 14 59.200 11.828 6.446 81 HB2 ASP 14 HB2 ASP 14 60.823 9.812 6.960 82 HB3 ASP 14 HB1 ASP 14 61.273 10.021 5.268 83 H ASN 15 HN ASN 15 57.563 10.542 4.167 84 HA ASN 15 HA ASN 15 59.020 11.675 1.871 85 HB2 ASN 15 HB2 ASN 15 56.837 9.655 2.181 86 HB3 ASN 15 HB1 ASN 15 56.933 10.575 0.681 87 HD21 ASN 15 HD21 ASN 15 58.564 9.992 -0.816 88 HD22 ASN 15 HD22 ASN 15 59.730 8.796 -0.516 89 H GLN 16 HN GLN 16 55.748 11.667 3.297 90 HA GLN 16 HA GLN 16 55.218 14.239 1.956 91 HB2 GLN 16 HB2 GLN 16 53.070 12.795 3.418 92 HB3 GLN 16 HB1 GLN 16 53.000 13.678 1.893 93 HG2 GLN 16 HG2 GLN 16 54.477 11.768 0.955 94 HG3 GLN 16 HG1 GLN 16 53.989 10.874 2.394 95 HE21 GLN 16 HE21 GLN 16 53.241 10.519 -0.567 96 HE22 GLN 16 HE22 GLN 16 51.544 10.495 -0.559 97 H SER 17 HN SER 17 56.941 14.242 4.179 98 HA SER 17 HA SER 17 55.275 15.325 6.359 99 HB2 SER 17 HB2 SER 17 57.927 13.999 6.234 100 HB3 SER 17 HB1 SER 17 57.744 15.287 7.421 101 HG SER 17 HG SER 17 57.036 12.895 7.807 102 H GLU 18 HN GLU 18 54.881 17.308 5.187 103 HA GLU 18 HA GLU 18 55.340 19.467 4.521 104 HB2 GLU 18 HB2 GLU 18 55.715 19.381 7.083 105 HB3 GLU 18 HB1 GLU 18 57.429 19.484 6.683 106 HG2 GLU 18 HG2 GLU 18 56.452 21.453 5.092 107 HG3 GLU 18 HG1 GLU 18 55.301 21.533 6.426 108 H CYS 19 HN CYS 19 56.690 17.620 2.953 109 HA CYS 19 HA CYS 19 59.087 19.170 2.250 110 HB2 CYS 19 HB2 CYS 19 59.333 16.774 3.563 111 HB3 CYS 19 HB1 CYS 19 59.406 16.274 1.873 112 HG CYS 19 HG CYS 19 61.788 17.148 2.997 113 H GLU 20 HN GLU 20 56.736 16.681 1.351 114 HA GLU 20 HA GLU 20 56.633 17.776 -1.351 115 HB2 GLU 20 HB2 GLU 20 57.346 14.884 -0.802 116 HB3 GLU 20 HB1 GLU 20 56.918 15.534 -2.385 117 HG2 GLU 20 HG2 GLU 20 58.808 17.224 -2.041 118 HG3 GLU 20 HG1 GLU 20 59.318 16.224 -0.683 119 H TYR 21 HN TYR 21 54.932 17.324 1.149 120 HA TYR 21 HA TYR 21 52.862 15.509 0.233 121 HB2 TYR 21 HB2 TYR 21 51.892 15.783 2.320 122 HB3 TYR 21 HB1 TYR 21 53.588 16.089 2.693 123 HD1 TYR 21 HD2 TYR 21 54.403 18.548 2.575 124 HD2 TYR 21 HD1 TYR 21 50.265 17.415 2.784 125 HE1 TYR 21 HE2 TYR 21 53.819 20.825 3.364 126 HE2 TYR 21 HE1 TYR 21 49.681 19.692 3.573 127 HH TYR 21 HH TYR 21 50.549 21.918 3.562 128 H THR 22 HN THR 22 53.741 18.529 -0.677 129 HA THR 22 HA THR 22 50.985 19.511 -1.034 130 HB THR 22 HB THR 22 51.906 21.666 -1.376 131 HG1 THR 22 HG1 THR 22 53.734 20.503 -2.638 132 HG21 THR 22 HG21 THR 22 52.030 20.863 0.965 133 HG22 THR 22 HG22 THR 22 53.320 22.008 0.596 134 HG23 THR 22 HG23 THR 22 53.668 20.280 0.663 135 H ASP 23 HN ASP 23 53.827 18.415 -2.754 136 HA ASP 23 HA ASP 23 53.480 19.255 -5.317 137 HB2 ASP 23 HB2 ASP 23 55.093 17.450 -4.253 138 HB3 ASP 23 HB1 ASP 23 53.907 16.325 -4.913 139 H TRP 24 HN TRP 24 51.325 17.290 -3.483 140 HA TRP 24 HA TRP 24 49.416 17.304 -5.686 141 HB2 TRP 24 HB2 TRP 24 48.994 14.938 -5.644 142 HB3 TRP 24 HB1 TRP 24 50.727 15.161 -5.886 143 HD1 TRP 24 HD1 TRP 24 52.010 15.417 -3.250 144 HE1 TRP 24 HE1 TRP 24 51.799 13.684 -1.354 145 HE3 TRP 24 HE3 TRP 24 47.722 13.045 -4.691 146 HZ2 TRP 24 HZ2 TRP 24 50.049 11.568 -0.556 147 HZ3 TRP 24 HZ3 TRP 24 46.807 11.176 -3.346 148 HH2 TRP 24 HH2 TRP 24 47.965 10.436 -1.282 149 H LYS 25 HN LYS 25 47.766 18.315 -4.734 150 HA LYS 25 HA LYS 25 46.992 17.493 -2.000 151 HB2 LYS 25 HB2 LYS 25 46.949 20.133 -3.408 152 HB3 LYS 25 HB1 LYS 25 45.735 19.811 -2.173 153 HG2 LYS 25 HG2 LYS 25 48.683 19.350 -1.679 154 HG3 LYS 25 HG1 LYS 25 47.925 20.912 -1.389 155 HD2 LYS 25 HD2 LYS 25 47.053 20.206 0.563 156 HD3 LYS 25 HD1 LYS 25 46.343 18.785 -0.197 157 HE2 LYS 25 HE2 LYS 25 47.928 18.064 1.506 158 HE3 LYS 25 HE1 LYS 25 48.579 17.661 -0.083 159 HZ1 LYS 25 HZ1 LYS 25 50.360 18.670 0.933 160 HZ2 LYS 25 HZ2 LYS 25 49.399 19.786 1.779 161 HZ3 LYS 25 HZ3 LYS 25 49.668 19.983 0.113 162 H SER 26 HN SER 26 46.238 16.828 -5.038 163 HA SER 26 HA SER 26 43.614 15.914 -4.450 164 HB2 SER 26 HB2 SER 26 42.236 17.404 -5.582 165 HB3 SER 26 HB1 SER 26 43.401 18.501 -4.845 166 HG SER 26 HG SER 26 44.164 18.958 -6.756 167 H SER 27 HN SER 27 43.323 14.169 -5.677 168 HA SER 27 HA SER 27 44.942 13.891 -8.124 169 HB2 SER 27 HB2 SER 27 45.214 11.728 -7.557 170 HB3 SER 27 HB1 SER 27 44.561 12.173 -5.984 171 HG SER 27 HG SER 27 43.510 10.405 -7.289 172 H GLY 28 HN GLY 28 41.721 14.291 -7.003 173 HA2 GLY 28 HA2 GLY 28 40.738 14.064 -9.762 174 HA3 GLY 28 HA1 GLY 28 39.930 13.117 -8.517 175 H ALA 29 HN ALA 29 41.206 16.083 -7.420 176 HA ALA 29 HA ALA 29 40.229 18.036 -6.706 177 HB1 ALA 29 HB1 ALA 29 38.865 19.173 -8.220 178 HB2 ALA 29 HB2 ALA 29 38.086 17.694 -8.781 179 HB3 ALA 29 HB3 ALA 29 39.741 18.057 -9.269 180 H LEU 30 HN LEU 30 39.349 15.404 -5.675 181 HA LEU 30 HA LEU 30 36.795 16.300 -4.506 182 HB2 LEU 30 HB2 LEU 30 35.951 13.982 -4.597 183 HB3 LEU 30 HB1 LEU 30 36.248 14.628 -6.211 184 HG LEU 30 HG LEU 30 38.693 13.526 -5.548 185 HD11 LEU 30 HD11 LEU 30 36.487 11.698 -4.548 186 HD12 LEU 30 HD12 LEU 30 37.707 12.479 -3.541 187 HD13 LEU 30 HD13 LEU 30 38.186 11.258 -4.720 188 HD21 LEU 30 HD21 LEU 30 37.521 13.344 -7.709 189 HD22 LEU 30 HD22 LEU 30 36.357 12.230 -6.991 190 HD23 LEU 30 HD23 LEU 30 38.048 11.755 -7.156 191 H ILE 31 HN ILE 31 39.714 14.352 -4.266 192 HA ILE 31 HA ILE 31 39.427 13.171 -1.804 193 HB ILE 31 HB ILE 31 41.810 14.261 -3.251 194 HG12 ILE 31 HG12 ILE 31 41.480 11.483 -2.200 195 HG13 ILE 31 HG11 ILE 31 40.464 11.982 -3.554 196 HG21 ILE 31 HG21 ILE 31 43.135 13.079 -1.362 197 HG22 ILE 31 HG22 ILE 31 41.673 13.285 -0.398 198 HG23 ILE 31 HG23 ILE 31 42.518 14.696 -1.030 199 HD11 ILE 31 HD11 ILE 31 42.457 12.639 -4.830 200 HD12 ILE 31 HD12 ILE 31 42.578 10.951 -4.335 201 HD13 ILE 31 HD13 ILE 31 43.489 12.191 -3.473 202 HA PRO 32 HA PRO 32 41.213 17.146 0.452 203 HB2 PRO 32 HB2 PRO 32 40.371 19.450 -0.956 204 HB3 PRO 32 HB1 PRO 32 42.033 18.862 -0.787 205 HG2 PRO 32 HG2 PRO 32 40.127 18.529 -3.028 206 HG3 PRO 32 HG1 PRO 32 41.894 18.672 -3.052 207 HD2 PRO 32 HD2 PRO 32 40.695 16.308 -3.465 208 HD3 PRO 32 HD1 PRO 32 42.222 16.420 -2.565 209 H ALA 33 HN ALA 33 38.300 16.406 -1.087 210 HA ALA 33 HA ALA 33 36.677 18.143 0.634 211 HB1 ALA 33 HB1 ALA 33 36.251 17.641 -1.900 212 HB2 ALA 33 HB2 ALA 33 34.886 17.705 -0.785 213 HB3 ALA 33 HB3 ALA 33 35.538 16.147 -1.294 214 H ILE 34 HN ILE 34 36.393 14.720 -0.341 215 HA ILE 34 HA ILE 34 34.896 13.882 1.853 216 HB ILE 34 HB ILE 34 36.891 12.309 0.207 217 HG12 ILE 34 HG12 ILE 34 34.167 11.694 -0.355 218 HG13 ILE 34 HG11 ILE 34 34.320 13.451 -0.378 219 HG21 ILE 34 HG21 ILE 34 35.372 10.385 0.959 220 HG22 ILE 34 HG22 ILE 34 34.760 11.490 2.189 221 HG23 ILE 34 HG23 ILE 34 36.465 11.039 2.179 222 HD11 ILE 34 HD11 ILE 34 36.191 13.298 -1.948 223 HD12 ILE 34 HD12 ILE 34 34.795 12.443 -2.602 224 HD13 ILE 34 HD13 ILE 34 36.126 11.537 -1.884 225 H TYR 35 HN TYR 35 38.222 14.716 1.661 226 HA TYR 35 HA TYR 35 38.943 13.257 4.087 227 HB2 TYR 35 HB2 TYR 35 40.417 13.825 1.931 228 HB3 TYR 35 HB1 TYR 35 40.772 15.270 2.878 229 HD1 TYR 35 HD2 TYR 35 41.032 11.592 2.753 230 HD2 TYR 35 HD1 TYR 35 41.975 15.137 4.989 231 HE1 TYR 35 HE2 TYR 35 42.607 10.289 4.157 232 HE2 TYR 35 HE1 TYR 35 43.551 13.833 6.393 233 HH TYR 35 HH TYR 35 44.788 10.974 5.592 234 H MET 36 HN MET 36 38.393 16.572 2.991 235 HA MET 36 HA MET 36 39.205 17.889 5.355 236 HB2 MET 36 HB2 MET 36 38.937 19.223 3.409 237 HB3 MET 36 HB1 MET 36 37.291 18.642 3.147 238 HG2 MET 36 HG2 MET 36 36.426 19.902 4.929 239 HG3 MET 36 HG1 MET 36 38.005 20.082 5.693 240 HE1 MET 36 HE1 MET 36 40.066 21.169 4.084 241 HE2 MET 36 HE2 MET 36 39.428 21.947 5.532 242 HE3 MET 36 HE3 MET 36 39.735 22.907 4.087 243 H LEU 37 HN LEU 37 36.078 16.586 4.313 244 HA LEU 37 HA LEU 37 34.657 17.506 6.627 245 HB2 LEU 37 HB2 LEU 37 33.897 15.268 4.738 246 HB3 LEU 37 HB1 LEU 37 32.819 16.183 5.792 247 HG LEU 37 HG LEU 37 34.431 17.337 3.496 248 HD11 LEU 37 HD11 LEU 37 31.525 17.571 3.396 249 HD12 LEU 37 HD12 LEU 37 32.047 15.887 3.430 250 HD13 LEU 37 HD13 LEU 37 32.640 16.969 2.170 251 HD21 LEU 37 HD21 LEU 37 34.205 19.122 4.983 252 HD22 LEU 37 HD22 LEU 37 32.683 18.518 5.635 253 HD23 LEU 37 HD23 LEU 37 32.722 19.273 4.041 254 H VAL 38 HN VAL 38 37.051 16.149 7.346 255 HA VAL 38 HA VAL 38 35.891 13.972 8.955 256 HB VAL 38 HB VAL 38 38.573 13.772 7.568 257 HG11 VAL 38 HG11 VAL 38 38.905 11.985 8.896 258 HG12 VAL 38 HG12 VAL 38 37.346 11.304 8.432 259 HG13 VAL 38 HG13 VAL 38 37.450 12.427 9.788 260 HG21 VAL 38 HG21 VAL 38 35.905 12.487 6.902 261 HG22 VAL 38 HG22 VAL 38 37.443 12.070 6.147 262 HG23 VAL 38 HG23 VAL 38 36.757 13.678 5.919 263 H PHE 39 HN PHE 39 38.421 16.367 8.463 264 HA PHE 39 HA PHE 39 39.621 15.963 11.056 265 HB2 PHE 39 HB2 PHE 39 40.258 17.387 8.667 266 HB3 PHE 39 HB1 PHE 39 40.261 18.533 10.007 267 HD1 PHE 39 HD1 PHE 39 41.551 15.182 8.972 268 HD2 PHE 39 HD2 PHE 39 42.050 18.585 11.544 269 HE1 PHE 39 HE1 PHE 39 43.729 14.280 9.741 270 HE2 PHE 39 HE2 PHE 39 44.228 17.683 12.313 271 HZ PHE 39 HZ PHE 39 45.067 15.531 11.412 272 H LEU 40 HN LEU 40 36.738 17.269 10.116 273 HA LEU 40 HA LEU 40 36.425 18.657 12.650 274 HB2 LEU 40 HB2 LEU 40 35.536 20.718 11.534 275 HB3 LEU 40 HB1 LEU 40 37.270 20.482 11.311 276 HG LEU 40 HG LEU 40 35.905 19.090 9.217 277 HD11 LEU 40 HD11 LEU 40 34.007 20.578 9.605 278 HD12 LEU 40 HD12 LEU 40 34.826 21.054 8.117 279 HD13 LEU 40 HD13 LEU 40 35.074 21.983 9.596 280 HD21 LEU 40 HD21 LEU 40 38.190 19.961 9.087 281 HD22 LEU 40 HD22 LEU 40 37.597 21.611 9.275 282 HD23 LEU 40 HD23 LEU 40 37.209 20.696 7.819 283 H LEU 41 HN LEU 41 35.329 16.287 11.333 284 HA LEU 41 HA LEU 41 32.551 16.778 11.875 285 HB2 LEU 41 HB2 LEU 41 32.767 17.619 9.527 286 HB3 LEU 41 HB1 LEU 41 33.308 16.014 9.044 287 HG LEU 41 HG LEU 41 31.168 15.061 9.902 288 HD11 LEU 41 HD11 LEU 41 30.767 17.922 10.667 289 HD12 LEU 41 HD12 LEU 41 30.257 16.455 11.499 290 HD13 LEU 41 HD13 LEU 41 29.361 17.028 10.093 291 HD21 LEU 41 HD21 LEU 41 31.322 15.580 7.541 292 HD22 LEU 41 HD22 LEU 41 30.979 17.283 7.848 293 HD23 LEU 41 HD23 LEU 41 29.723 16.070 8.104 294 H GLY 42 HN GLY 42 35.042 14.650 10.570 295 HA2 GLY 42 HA2 GLY 42 33.490 12.265 11.246 296 HA3 GLY 42 HA1 GLY 42 35.044 12.299 10.417 297 H THR 43 HN THR 43 36.210 14.139 12.410 298 HA THR 43 HA THR 43 36.791 12.123 14.471 299 HB THR 43 HB THR 43 38.664 13.131 13.129 300 HG1 THR 43 HG1 THR 43 39.282 14.049 15.596 301 HG21 THR 43 HG21 THR 43 39.271 15.410 13.426 302 HG22 THR 43 HG22 THR 43 38.150 15.612 14.773 303 HG23 THR 43 HG23 THR 43 37.532 15.433 13.130 304 H THR 44 HN THR 44 35.919 15.542 14.091 305 HA THR 44 HA THR 44 35.660 15.957 16.940 306 HB THR 44 HB THR 44 36.251 17.700 15.096 307 HG1 THR 44 HG1 THR 44 34.249 18.377 16.977 308 HG21 THR 44 HG21 THR 44 34.469 18.760 13.989 309 HG22 THR 44 HG22 THR 44 33.263 18.073 15.078 310 HG23 THR 44 HG23 THR 44 34.051 17.050 13.876 311 H GLY 45 HN GLY 45 33.586 15.077 14.275 312 HA2 GLY 45 HA2 GLY 45 31.119 15.583 15.698 313 HA3 GLY 45 HA1 GLY 45 31.285 14.779 14.140 314 H ASN 46 HN ASN 46 32.948 12.689 14.701 315 HA ASN 46 HA ASN 46 32.045 11.248 17.040 316 HB2 ASN 46 HB2 ASN 46 30.646 10.966 14.525 317 HB3 ASN 46 HB1 ASN 46 31.399 9.442 14.993 318 HD21 ASN 46 HD21 ASN 46 29.488 12.099 16.530 319 HD22 ASN 46 HD22 ASN 46 28.582 11.060 17.519 320 H GLY 47 HN GLY 47 34.192 10.932 17.547 321 HA2 GLY 47 HA2 GLY 47 35.504 8.680 16.566 322 HA3 GLY 47 HA1 GLY 47 36.179 10.065 15.714 323 H LEU 48 HN LEU 48 34.972 10.239 19.001 324 HA LEU 48 HA LEU 48 37.722 10.793 19.927 325 HB2 LEU 48 HB2 LEU 48 35.024 11.811 20.731 326 HB3 LEU 48 HB1 LEU 48 36.319 11.775 21.928 327 HG LEU 48 HG LEU 48 36.948 12.897 19.231 328 HD11 LEU 48 HD11 LEU 48 35.083 14.102 21.246 329 HD12 LEU 48 HD12 LEU 48 35.027 14.182 19.485 330 HD13 LEU 48 HD13 LEU 48 36.192 15.162 20.376 331 HD21 LEU 48 HD21 LEU 48 38.648 12.639 21.042 332 HD22 LEU 48 HD22 LEU 48 37.688 13.712 22.061 333 HD23 LEU 48 HD23 LEU 48 38.415 14.324 20.575 334 H VAL 49 HN VAL 49 35.428 8.400 19.920 335 HA VAL 49 HA VAL 49 36.063 7.425 22.619 336 HB VAL 49 HB VAL 49 34.071 6.470 20.549 337 HG11 VAL 49 HG11 VAL 49 33.300 5.195 22.744 338 HG12 VAL 49 HG12 VAL 49 35.006 5.344 23.163 339 HG13 VAL 49 HG13 VAL 49 34.530 4.501 21.688 340 HG21 VAL 49 HG21 VAL 49 32.465 7.222 22.370 341 HG22 VAL 49 HG22 VAL 49 33.346 8.525 21.573 342 HG23 VAL 49 HG23 VAL 49 33.846 7.971 23.172 343 H LEU 50 HN LEU 50 37.350 7.246 19.592 344 HA LEU 50 HA LEU 50 38.624 4.656 20.193 345 HB2 LEU 50 HB2 LEU 50 38.599 4.367 17.595 346 HB3 LEU 50 HB1 LEU 50 37.161 3.943 18.526 347 HG LEU 50 HG LEU 50 37.370 6.773 17.642 348 HD11 LEU 50 HD11 LEU 50 38.058 5.871 15.573 349 HD12 LEU 50 HD12 LEU 50 36.305 5.982 15.411 350 HD13 LEU 50 HD13 LEU 50 37.061 4.429 15.771 351 HD21 LEU 50 HD21 LEU 50 35.461 5.515 18.915 352 HD22 LEU 50 HD22 LEU 50 35.045 4.886 17.321 353 HD23 LEU 50 HD23 LEU 50 35.026 6.625 17.616 354 H TRP 51 HN TRP 51 39.028 7.859 19.774 355 HA TRP 51 HA TRP 51 41.578 7.633 18.315 356 HB2 TRP 51 HB2 TRP 51 40.293 9.382 17.393 357 HB3 TRP 51 HB1 TRP 51 39.773 9.951 18.979 358 HD1 TRP 51 HD1 TRP 51 43.407 9.091 18.121 359 HE1 TRP 51 HE1 TRP 51 44.829 11.231 18.334 360 HE3 TRP 51 HE3 TRP 51 39.720 12.526 18.955 361 HZ2 TRP 51 HZ2 TRP 51 44.455 14.028 18.798 362 HZ3 TRP 51 HZ3 TRP 51 40.281 14.918 19.280 363 HH2 TRP 51 HH2 TRP 51 42.642 15.671 19.202 364 H THR 52 HN THR 52 40.240 9.181 21.242 365 HA THR 52 HA THR 52 42.884 9.576 22.354 366 HB THR 52 HB THR 52 41.864 10.960 23.839 367 HG1 THR 52 HG1 THR 52 39.525 9.404 23.955 368 HG21 THR 52 HG21 THR 52 39.986 12.047 22.908 369 HG22 THR 52 HG22 THR 52 39.365 10.556 22.202 370 HG23 THR 52 HG23 THR 52 40.795 11.328 21.517 371 H VAL 53 HN VAL 53 40.091 7.480 22.962 372 HA VAL 53 HA VAL 53 41.073 6.183 25.254 373 HB VAL 53 HB VAL 53 39.100 5.421 23.118 374 HG11 VAL 53 HG11 VAL 53 39.929 3.279 23.634 375 HG12 VAL 53 HG12 VAL 53 38.596 3.471 24.772 376 HG13 VAL 53 HG13 VAL 53 40.258 3.710 25.311 377 HG21 VAL 53 HG21 VAL 53 38.471 7.071 24.857 378 HG22 VAL 53 HG22 VAL 53 38.893 5.902 26.109 379 HG23 VAL 53 HG23 VAL 53 37.541 5.581 25.021 380 H PHE 54 HN PHE 54 41.812 5.798 21.873 381 HA PHE 54 HA PHE 54 42.880 3.210 21.858 382 HB2 PHE 54 HB2 PHE 54 42.473 4.779 19.877 383 HB3 PHE 54 HB1 PHE 54 44.029 5.506 20.276 384 HD1 PHE 54 HD1 PHE 54 46.097 4.049 20.333 385 HD2 PHE 54 HD2 PHE 54 42.342 2.682 18.757 386 HE1 PHE 54 HE1 PHE 54 47.263 2.205 19.155 387 HE2 PHE 54 HE2 PHE 54 43.508 0.836 17.579 388 HZ PHE 54 HZ PHE 54 45.969 0.598 17.778 389 H ARG 55 HN ARG 55 44.804 6.217 21.928 390 HA ARG 55 HA ARG 55 47.204 5.007 22.716 391 HB2 ARG 55 HB2 ARG 55 46.298 7.833 23.319 392 HB3 ARG 55 HB1 ARG 55 47.963 7.251 23.273 393 HG2 ARG 55 HG2 ARG 55 48.041 7.615 21.057 394 HG3 ARG 55 HG1 ARG 55 46.692 6.503 20.822 395 HD2 ARG 55 HD2 ARG 55 46.082 8.680 19.925 396 HD3 ARG 55 HD1 ARG 55 45.116 8.359 21.361 397 HE ARG 55 HE ARG 55 47.533 9.815 21.945 398 HH11 ARG 55 HH21 ARG 55 44.262 10.011 20.832 399 HH12 ARG 55 HH22 ARG 55 44.048 11.657 21.323 400 HH21 ARG 55 HH11 ARG 55 47.258 11.975 22.593 401 HH22 ARG 55 HH12 ARG 55 45.744 12.770 22.321 402 H LYS 56 HN LYS 56 44.426 6.015 24.569 403 HA LYS 56 HA LYS 56 45.692 6.021 27.128 404 HB2 LYS 56 HB2 LYS 56 43.328 6.943 26.257 405 HB3 LYS 56 HB1 LYS 56 42.795 5.392 26.910 406 HG2 LYS 56 HG2 LYS 56 42.649 6.769 28.789 407 HG3 LYS 56 HG1 LYS 56 44.258 6.072 28.980 408 HD2 LYS 56 HD2 LYS 56 44.837 8.280 29.225 409 HD3 LYS 56 HD1 LYS 56 44.898 8.204 27.463 410 HE2 LYS 56 HE2 LYS 56 43.540 10.079 27.837 411 HE3 LYS 56 HE1 LYS 56 42.357 8.795 27.597 412 HZ1 LYS 56 HZ1 LYS 56 42.457 8.508 30.096 413 HZ2 LYS 56 HZ2 LYS 56 41.677 9.903 29.519 414 HZ3 LYS 56 HZ3 LYS 56 43.255 10.004 30.140 415 H LYS 57 HN LYS 57 44.421 3.556 25.050 416 HA LYS 57 HA LYS 57 43.658 1.506 26.659 417 HB2 LYS 57 HB2 LYS 57 44.356 -0.007 24.974 418 HB3 LYS 57 HB1 LYS 57 43.954 1.487 24.134 419 HG2 LYS 57 HG2 LYS 57 46.008 1.239 23.178 420 HG3 LYS 57 HG1 LYS 57 46.598 1.920 24.689 421 HD2 LYS 57 HD2 LYS 57 47.881 -0.012 24.551 422 HD3 LYS 57 HD1 LYS 57 46.520 -0.601 25.501 423 HE2 LYS 57 HE2 LYS 57 47.186 -1.108 22.624 424 HE3 LYS 57 HE1 LYS 57 46.642 -2.239 23.861 425 HZ1 LYS 57 HZ1 LYS 57 44.450 -1.333 23.750 426 HZ2 LYS 57 HZ2 LYS 57 44.940 -1.723 22.172 427 HZ3 LYS 57 HZ3 LYS 57 44.945 -0.106 22.689 428 H GLY 58 HN GLY 58 46.780 2.961 26.545 429 HA2 GLY 58 HA2 GLY 58 48.313 2.726 28.372 430 HA3 GLY 58 HA1 GLY 58 47.709 1.091 28.624 431 H HIS 59 HN HIS 59 48.928 2.838 25.761 432 HA HIS 59 HA HIS 59 50.076 0.798 24.379 433 HB2 HIS 59 HB2 HIS 59 51.968 2.689 23.971 434 HB3 HIS 59 HB1 HIS 59 50.379 2.725 23.208 435 HD2 HIS 59 HD2 HIS 59 50.841 3.724 26.999 436 HE1 HIS 59 HE1 HIS 59 49.713 7.168 24.834 437 HE2 HIS 59 HE2 HIS 59 50.146 6.235 27.156 438 H HIS 60 HN HIS 60 51.061 1.984 27.447 439 HA HIS 60 HA HIS 60 53.769 1.005 27.343 440 HB2 HIS 60 HB2 HIS 60 52.934 2.865 28.851 441 HB3 HIS 60 HB1 HIS 60 52.145 1.617 29.816 442 HD2 HIS 60 HD2 HIS 60 54.273 2.631 31.735 443 HE1 HIS 60 HE1 HIS 60 57.167 0.096 29.995 444 HE2 HIS 60 HE2 HIS 60 56.632 1.544 32.011 445 H HIS 61 HN HIS 61 52.194 -1.029 26.446 446 HA HIS 61 HA HIS 61 51.069 -2.876 28.086 447 HB2 HIS 61 HB2 HIS 61 53.094 -3.499 25.923 448 HB3 HIS 61 HB1 HIS 61 51.890 -4.615 26.568 449 HD2 HIS 61 HD2 HIS 61 49.422 -2.230 26.528 450 HE1 HIS 61 HE1 HIS 61 50.063 -2.459 22.362 451 HE2 HIS 61 HE2 HIS 61 48.451 -1.688 24.166 452 H HIS 62 HN HIS 62 51.833 -4.732 29.241 453 HA HIS 62 HA HIS 62 54.339 -4.192 30.660 454 HB2 HIS 62 HB2 HIS 62 52.329 -4.633 32.000 455 HB3 HIS 62 HB1 HIS 62 52.145 -6.203 31.217 456 HD2 HIS 62 HD2 HIS 62 53.677 -8.235 32.352 457 HE1 HIS 62 HE1 HIS 62 56.029 -5.806 34.881 458 HE2 HIS 62 HE2 HIS 62 55.473 -8.202 34.247 459 H HIS 63 HN HIS 63 56.155 -5.205 30.124 460 HA HIS 63 HA HIS 63 56.270 -7.993 29.528 461 HB2 HIS 63 HB2 HIS 63 55.440 -6.756 27.351 462 HB3 HIS 63 HB1 HIS 63 57.146 -6.341 27.193 463 HD2 HIS 63 HD2 HIS 63 58.886 -8.755 27.216 464 HE1 HIS 63 HE1 HIS 63 55.774 -11.254 25.841 465 HE2 HIS 63 HE2 HIS 63 58.282 -11.084 26.203 466 H HIS 64 HN HIS 64 57.540 -6.508 31.436 467 HA HIS 64 HA HIS 64 60.094 -5.527 30.688 468 HB2 HIS 64 HB2 HIS 64 59.812 -4.799 32.799 469 HB3 HIS 64 HB1 HIS 64 58.636 -6.061 33.161 470 HD2 HIS 64 HD2 HIS 64 59.738 -8.431 34.300 471 HE1 HIS 64 HE1 HIS 64 63.666 -6.931 34.684 472 HE2 HIS 64 HE2 HIS 64 62.112 -8.841 35.307 Start of MODEL 38 1 H1 MET 1 HT1 MET 1 21.886 26.357 -46.952 2 H2 MET 1 HT2 MET 1 21.337 27.078 -48.389 3 H3 MET 1 HT3 MET 1 20.993 27.798 -46.890 4 HA MET 1 HA MET 1 23.802 27.369 -47.581 5 HB2 MET 1 HB2 MET 1 23.497 29.824 -48.599 6 HB3 MET 1 HB1 MET 1 23.350 28.383 -49.605 7 HG2 MET 1 HG2 MET 1 21.016 28.491 -49.653 8 HG3 MET 1 HG1 MET 1 20.933 29.454 -48.178 9 HE1 MET 1 HE1 MET 1 20.914 29.399 -51.952 10 HE2 MET 1 HE2 MET 1 22.648 29.438 -51.646 11 HE3 MET 1 HE3 MET 1 21.871 30.802 -52.447 12 H GLU 2 HN GLU 2 24.189 27.504 -45.369 13 HA GLU 2 HA GLU 2 23.831 30.190 -44.221 14 HB2 GLU 2 HB2 GLU 2 22.076 28.423 -43.434 15 HB3 GLU 2 HB1 GLU 2 23.417 27.775 -42.489 16 HG2 GLU 2 HG2 GLU 2 22.430 29.319 -41.016 17 HG3 GLU 2 HG1 GLU 2 23.766 30.232 -41.716 18 H GLU 3 HN GLU 3 26.152 29.158 -45.390 19 HA GLU 3 HA GLU 3 27.943 27.864 -43.681 20 HB2 GLU 3 HB2 GLU 3 28.204 29.691 -46.021 21 HB3 GLU 3 HB1 GLU 3 29.641 29.407 -45.037 22 HG2 GLU 3 HG2 GLU 3 29.406 26.994 -45.326 23 HG3 GLU 3 HG1 GLU 3 27.905 27.222 -46.222 24 H GLY 4 HN GLY 4 28.688 28.433 -41.750 25 HA2 GLY 4 HA2 GLY 4 29.909 30.867 -41.126 26 HA3 GLY 4 HA1 GLY 4 28.242 30.965 -40.566 27 H GLY 5 HN GLY 5 30.518 28.228 -40.643 28 HA2 GLY 5 HA2 GLY 5 29.758 27.189 -38.146 29 HA3 GLY 5 HA1 GLY 5 31.261 26.817 -38.985 30 H ASP 6 HN ASP 6 30.464 27.508 -36.090 31 HA ASP 6 HA ASP 6 31.442 29.916 -35.210 32 HB2 ASP 6 HB2 ASP 6 31.413 27.165 -34.056 33 HB3 ASP 6 HB1 ASP 6 32.375 28.396 -33.238 34 H PHE 7 HN PHE 7 33.212 27.272 -36.597 35 HA PHE 7 HA PHE 7 35.575 28.866 -36.880 36 HB2 PHE 7 HB2 PHE 7 37.084 27.535 -35.519 37 HB3 PHE 7 HB1 PHE 7 35.790 28.164 -34.498 38 HD1 PHE 7 HD1 PHE 7 33.825 26.669 -33.933 39 HD2 PHE 7 HD2 PHE 7 37.400 25.194 -35.805 40 HE1 PHE 7 HE1 PHE 7 33.213 24.355 -33.282 41 HE2 PHE 7 HE2 PHE 7 36.787 22.881 -35.152 42 HZ PHE 7 HZ PHE 7 34.693 22.461 -33.892 43 H ASP 8 HN ASP 8 34.510 25.465 -36.662 44 HA ASP 8 HA ASP 8 34.999 23.658 -38.022 45 HB2 ASP 8 HB2 ASP 8 33.204 24.921 -39.237 46 HB3 ASP 8 HB1 ASP 8 34.468 25.705 -40.183 47 H ASN 9 HN ASN 9 37.170 23.243 -37.691 48 HA ASN 9 HA ASN 9 38.913 23.885 -39.927 49 HB2 ASN 9 HB2 ASN 9 39.158 25.782 -38.268 50 HB3 ASN 9 HB1 ASN 9 39.807 24.602 -37.131 51 HD21 ASN 9 HD21 ASN 9 42.036 24.306 -37.237 52 HD22 ASN 9 HD22 ASN 9 43.004 24.701 -38.575 53 H TYR 10 HN TYR 10 38.515 22.366 -36.755 54 HA TYR 10 HA TYR 10 40.582 20.390 -37.380 55 HB2 TYR 10 HB2 TYR 10 38.935 20.949 -34.910 56 HB3 TYR 10 HB1 TYR 10 40.013 19.560 -35.050 57 HD1 TYR 10 HD1 TYR 10 42.471 20.025 -35.717 58 HD2 TYR 10 HD2 TYR 10 39.784 23.047 -34.269 59 HE1 TYR 10 HE1 TYR 10 44.405 21.464 -35.132 60 HE2 TYR 10 HE2 TYR 10 41.718 24.485 -33.683 61 HH TYR 10 HH TYR 10 44.569 23.610 -33.171 62 H TYR 11 HN TYR 11 37.167 20.372 -36.332 63 HA TYR 11 HA TYR 11 35.482 18.848 -36.666 64 HB2 TYR 11 HB2 TYR 11 35.437 19.350 -38.939 65 HB3 TYR 11 HB1 TYR 11 37.056 18.711 -39.218 66 HD1 TYR 11 HD2 TYR 11 33.582 17.690 -38.295 67 HD2 TYR 11 HD1 TYR 11 37.369 16.482 -39.924 68 HE1 TYR 11 HE2 TYR 11 32.611 15.497 -38.928 69 HE2 TYR 11 HE1 TYR 11 36.398 14.289 -40.556 70 HH TYR 11 HH TYR 11 33.668 13.568 -41.065 71 H GLY 12 HN GLY 12 34.961 16.531 -36.787 72 HA2 GLY 12 HA2 GLY 12 35.291 14.458 -35.801 73 HA3 GLY 12 HA1 GLY 12 36.597 14.375 -36.980 74 H ALA 13 HN ALA 13 36.541 16.713 -34.374 75 HA ALA 13 HA ALA 13 39.118 15.855 -33.438 76 HB1 ALA 13 HB1 ALA 13 37.477 17.676 -31.766 77 HB2 ALA 13 HB2 ALA 13 37.855 18.234 -33.396 78 HB3 ALA 13 HB3 ALA 13 39.158 17.822 -32.280 79 H ASP 14 HN ASP 14 38.868 16.222 -30.675 80 HA ASP 14 HA ASP 14 38.307 13.641 -29.772 81 HB2 ASP 14 HB2 ASP 14 38.645 16.295 -28.427 82 HB3 ASP 14 HB1 ASP 14 38.086 14.917 -27.482 83 H ASN 15 HN ASN 15 36.133 15.927 -30.834 84 HA ASN 15 HA ASN 15 33.983 15.939 -29.132 85 HB2 ASN 15 HB2 ASN 15 34.388 16.268 -31.991 86 HB3 ASN 15 HB1 ASN 15 32.825 15.534 -31.637 87 HD21 ASN 15 HD21 ASN 15 31.462 16.731 -29.949 88 HD22 ASN 15 HD22 ASN 15 31.603 18.421 -29.873 89 H GLN 16 HN GLN 16 35.043 13.330 -31.257 90 HA GLN 16 HA GLN 16 32.825 11.642 -30.308 91 HB2 GLN 16 HB2 GLN 16 34.794 10.703 -32.346 92 HB3 GLN 16 HB1 GLN 16 33.064 10.381 -32.222 93 HG2 GLN 16 HG2 GLN 16 32.859 12.976 -32.656 94 HG3 GLN 16 HG1 GLN 16 34.467 12.780 -33.349 95 HE21 GLN 16 HE21 GLN 16 34.574 11.973 -35.468 96 HE22 GLN 16 HE22 GLN 16 33.256 11.303 -36.301 97 H SER 17 HN SER 17 34.803 12.258 -28.426 98 HA SER 17 HA SER 17 35.786 9.573 -27.844 99 HB2 SER 17 HB2 SER 17 37.571 10.913 -29.157 100 HB3 SER 17 HB1 SER 17 37.740 11.856 -27.679 101 HG SER 17 HG SER 17 39.134 9.948 -27.907 102 H GLU 18 HN GLU 18 37.283 10.000 -25.662 103 HA GLU 18 HA GLU 18 35.435 10.532 -23.631 104 HB2 GLU 18 HB2 GLU 18 38.455 10.479 -23.627 105 HB3 GLU 18 HB1 GLU 18 37.501 10.687 -22.159 106 HG2 GLU 18 HG2 GLU 18 38.047 8.319 -22.461 107 HG3 GLU 18 HG1 GLU 18 36.312 8.564 -22.655 108 H CYS 19 HN CYS 19 34.406 12.492 -23.768 109 HA CYS 19 HA CYS 19 36.067 14.927 -23.751 110 HB2 CYS 19 HB2 CYS 19 34.475 15.223 -25.414 111 HB3 CYS 19 HB1 CYS 19 33.234 14.338 -24.528 112 HG CYS 19 HG CYS 19 34.179 17.153 -23.545 113 H GLU 20 HN GLU 20 36.704 14.954 -21.595 114 HA GLU 20 HA GLU 20 36.533 15.337 -19.333 115 HB2 GLU 20 HB2 GLU 20 33.884 16.647 -19.894 116 HB3 GLU 20 HB1 GLU 20 35.112 17.098 -18.712 117 HG2 GLU 20 HG2 GLU 20 36.655 17.637 -20.624 118 HG3 GLU 20 HG1 GLU 20 35.305 17.359 -21.724 119 H TYR 21 HN TYR 21 35.204 12.924 -20.544 120 HA TYR 21 HA TYR 21 33.029 12.450 -18.626 121 HB2 TYR 21 HB2 TYR 21 33.950 11.088 -21.140 122 HB3 TYR 21 HB1 TYR 21 32.933 10.228 -19.984 123 HD1 TYR 21 HD2 TYR 21 30.710 11.243 -19.303 124 HD2 TYR 21 HD1 TYR 21 33.039 12.740 -22.587 125 HE1 TYR 21 HE2 TYR 21 28.711 12.415 -20.186 126 HE2 TYR 21 HE1 TYR 21 31.040 13.911 -23.471 127 HH TYR 21 HH TYR 21 27.950 13.235 -22.533 128 H THR 22 HN THR 22 36.338 12.047 -18.848 129 HA THR 22 HA THR 22 36.506 10.525 -16.458 130 HB THR 22 HB THR 22 35.874 8.663 -17.925 131 HG1 THR 22 HG1 THR 22 38.002 7.519 -17.688 132 HG21 THR 22 HG21 THR 22 36.698 8.392 -20.013 133 HG22 THR 22 HG22 THR 22 38.355 8.678 -19.484 134 HG23 THR 22 HG23 THR 22 37.298 10.041 -19.852 135 H ASP 23 HN ASP 23 38.017 11.702 -19.399 136 HA ASP 23 HA ASP 23 40.708 11.548 -18.398 137 HB2 ASP 23 HB2 ASP 23 39.739 11.737 -20.877 138 HB3 ASP 23 HB1 ASP 23 39.984 13.455 -20.568 139 H TRP 24 HN TRP 24 38.894 12.870 -16.600 140 HA TRP 24 HA TRP 24 40.377 15.360 -16.259 141 HB2 TRP 24 HB2 TRP 24 38.387 16.733 -16.024 142 HB3 TRP 24 HB1 TRP 24 38.375 15.969 -17.614 143 HD1 TRP 24 HD1 TRP 24 37.054 13.403 -17.499 144 HE1 TRP 24 HE1 TRP 24 34.726 12.959 -16.481 145 HE3 TRP 24 HE3 TRP 24 36.638 17.471 -14.440 146 HZ2 TRP 24 HZ2 TRP 24 32.926 14.170 -14.618 147 HZ3 TRP 24 HZ3 TRP 24 34.609 17.801 -13.057 148 HH2 TRP 24 HH2 TRP 24 32.755 16.157 -13.142 149 H LYS 25 HN LYS 25 37.608 13.485 -15.005 150 HA LYS 25 HA LYS 25 36.942 13.085 -12.827 151 HB2 LYS 25 HB2 LYS 25 39.906 12.493 -12.774 152 HB3 LYS 25 HB1 LYS 25 38.811 12.084 -11.452 153 HG2 LYS 25 HG2 LYS 25 38.021 11.248 -14.208 154 HG3 LYS 25 HG1 LYS 25 39.322 10.353 -13.422 155 HD2 LYS 25 HD2 LYS 25 37.945 9.614 -11.683 156 HD3 LYS 25 HD1 LYS 25 36.783 10.921 -11.917 157 HE2 LYS 25 HE2 LYS 25 35.949 9.926 -13.941 158 HE3 LYS 25 HE1 LYS 25 37.251 8.737 -13.961 159 HZ1 LYS 25 HZ1 LYS 25 35.794 7.443 -12.904 160 HZ2 LYS 25 HZ2 LYS 25 34.789 8.741 -12.469 161 HZ3 LYS 25 HZ3 LYS 25 36.153 8.367 -11.529 162 H SER 26 HN SER 26 40.015 13.898 -11.500 163 HA SER 26 HA SER 26 39.449 16.644 -10.897 164 HB2 SER 26 HB2 SER 26 39.085 16.407 -8.504 165 HB3 SER 26 HB1 SER 26 37.847 15.507 -9.377 166 HG SER 26 HG SER 26 39.655 13.763 -9.122 167 H SER 27 HN SER 27 40.975 14.065 -8.970 168 HA SER 27 HA SER 27 43.213 13.608 -8.579 169 HB2 SER 27 HB2 SER 27 44.174 15.906 -10.193 170 HB3 SER 27 HB1 SER 27 44.806 14.267 -10.077 171 HG SER 27 HG SER 27 42.712 13.708 -11.166 172 H GLY 28 HN GLY 28 41.438 15.834 -7.378 173 HA2 GLY 28 HA2 GLY 28 42.442 16.590 -5.136 174 HA3 GLY 28 HA1 GLY 28 43.572 17.469 -6.156 175 H ALA 29 HN ALA 29 40.672 17.397 -7.757 176 HA ALA 29 HA ALA 29 40.197 20.182 -7.329 177 HB1 ALA 29 HB1 ALA 29 39.644 18.516 -9.371 178 HB2 ALA 29 HB2 ALA 29 38.791 20.039 -9.121 179 HB3 ALA 29 HB3 ALA 29 38.073 18.525 -8.570 180 H LEU 30 HN LEU 30 38.508 17.217 -6.353 181 HA LEU 30 HA LEU 30 37.102 18.810 -4.307 182 HB2 LEU 30 HB2 LEU 30 35.032 17.824 -4.731 183 HB3 LEU 30 HB1 LEU 30 35.670 18.089 -6.349 184 HG LEU 30 HG LEU 30 35.674 15.472 -4.806 185 HD11 LEU 30 HD11 LEU 30 33.525 16.081 -5.820 186 HD12 LEU 30 HD12 LEU 30 34.258 14.732 -6.689 187 HD13 LEU 30 HD13 LEU 30 34.322 16.358 -7.368 188 HD21 LEU 30 HD21 LEU 30 37.693 15.380 -6.014 189 HD22 LEU 30 HD22 LEU 30 37.049 16.349 -7.340 190 HD23 LEU 30 HD23 LEU 30 36.538 14.675 -7.143 191 H ILE 31 HN ILE 31 39.366 16.591 -4.783 192 HA ILE 31 HA ILE 31 38.595 14.498 -3.008 193 HB ILE 31 HB ILE 31 41.466 15.227 -3.497 194 HG12 ILE 31 HG12 ILE 31 39.505 14.009 -5.466 195 HG13 ILE 31 HG11 ILE 31 40.477 15.464 -5.698 196 HG21 ILE 31 HG21 ILE 31 40.170 12.517 -3.633 197 HG22 ILE 31 HG22 ILE 31 40.516 13.255 -2.068 198 HG23 ILE 31 HG23 ILE 31 41.829 12.935 -3.200 199 HD11 ILE 31 HD11 ILE 31 42.524 13.955 -5.361 200 HD12 ILE 31 HD12 ILE 31 41.635 13.758 -6.870 201 HD13 ILE 31 HD13 ILE 31 41.417 12.597 -5.563 202 HA PRO 32 HA PRO 32 41.176 17.160 0.147 203 HB2 PRO 32 HB2 PRO 32 40.378 19.897 -0.590 204 HB3 PRO 32 HB1 PRO 32 41.991 19.255 -0.236 205 HG2 PRO 32 HG2 PRO 32 41.218 19.978 -2.710 206 HG3 PRO 32 HG1 PRO 32 42.387 18.683 -2.403 207 HD2 PRO 32 HD2 PRO 32 39.500 18.473 -3.169 208 HD3 PRO 32 HD1 PRO 32 40.870 17.447 -3.637 209 H ALA 33 HN ALA 33 38.037 17.566 -1.128 210 HA ALA 33 HA ALA 33 36.873 18.779 1.236 211 HB1 ALA 33 HB1 ALA 33 35.626 17.594 -1.255 212 HB2 ALA 33 HB2 ALA 33 35.900 19.304 -0.927 213 HB3 ALA 33 HB3 ALA 33 34.725 18.401 0.029 214 H ILE 34 HN ILE 34 36.391 15.672 -0.461 215 HA ILE 34 HA ILE 34 34.902 14.427 1.561 216 HB ILE 34 HB ILE 34 36.801 12.951 -0.257 217 HG12 ILE 34 HG12 ILE 34 35.724 14.538 -1.708 218 HG13 ILE 34 HG11 ILE 34 34.862 13.012 -1.904 219 HG21 ILE 34 HG21 ILE 34 34.015 12.073 0.168 220 HG22 ILE 34 HG22 ILE 34 35.013 12.074 1.623 221 HG23 ILE 34 HG23 ILE 34 35.511 11.138 0.214 222 HD11 ILE 34 HD11 ILE 34 33.999 15.461 -0.364 223 HD12 ILE 34 HD12 ILE 34 33.275 13.881 -0.063 224 HD13 ILE 34 HD13 ILE 34 33.143 14.622 -1.657 225 H TYR 35 HN TYR 35 38.286 13.630 0.758 226 HA TYR 35 HA TYR 35 38.984 12.151 2.924 227 HB2 TYR 35 HB2 TYR 35 40.950 12.302 1.867 228 HB3 TYR 35 HB1 TYR 35 40.390 13.715 0.971 229 HD1 TYR 35 HD2 TYR 35 40.530 16.004 2.087 230 HD2 TYR 35 HD1 TYR 35 42.509 12.521 3.640 231 HE1 TYR 35 HE2 TYR 35 42.023 17.453 3.437 232 HE2 TYR 35 HE1 TYR 35 44.001 13.970 4.990 233 HH TYR 35 HH TYR 35 44.167 17.379 4.521 234 H MET 36 HN MET 36 38.469 15.616 2.845 235 HA MET 36 HA MET 36 39.542 16.057 5.495 236 HB2 MET 36 HB2 MET 36 39.698 17.876 3.933 237 HB3 MET 36 HB1 MET 36 37.966 17.811 3.602 238 HG2 MET 36 HG2 MET 36 37.402 18.793 5.621 239 HG3 MET 36 HG1 MET 36 38.850 18.198 6.434 240 HE1 MET 36 HE1 MET 36 37.342 20.479 3.835 241 HE2 MET 36 HE2 MET 36 38.167 22.014 4.101 242 HE3 MET 36 HE3 MET 36 37.178 21.320 5.383 243 H LEU 37 HN LEU 37 36.323 15.861 4.009 244 HA LEU 37 HA LEU 37 34.796 16.480 6.277 245 HB2 LEU 37 HB2 LEU 37 34.264 14.852 3.805 246 HB3 LEU 37 HB1 LEU 37 33.058 14.963 5.088 247 HG LEU 37 HG LEU 37 34.322 17.496 4.125 248 HD11 LEU 37 HD11 LEU 37 32.513 17.627 2.367 249 HD12 LEU 37 HD12 LEU 37 32.210 15.911 2.638 250 HD13 LEU 37 HD13 LEU 37 33.773 16.443 2.020 251 HD21 LEU 37 HD21 LEU 37 31.408 17.019 4.660 252 HD22 LEU 37 HD22 LEU 37 32.376 18.462 4.962 253 HD23 LEU 37 HD23 LEU 37 32.527 17.060 6.023 254 H VAL 38 HN VAL 38 36.916 13.949 5.860 255 HA VAL 38 HA VAL 38 35.421 12.129 7.631 256 HB VAL 38 HB VAL 38 37.931 11.677 6.001 257 HG11 VAL 38 HG11 VAL 38 38.202 10.117 7.675 258 HG12 VAL 38 HG12 VAL 38 37.090 9.216 6.646 259 HG13 VAL 38 HG13 VAL 38 36.482 10.076 8.060 260 HG21 VAL 38 HG21 VAL 38 36.037 11.818 4.536 261 HG22 VAL 38 HG22 VAL 38 35.027 10.894 5.649 262 HG23 VAL 38 HG23 VAL 38 36.341 10.098 4.780 263 H PHE 39 HN PHE 39 37.439 14.661 7.943 264 HA PHE 39 HA PHE 39 39.048 13.478 10.109 265 HB2 PHE 39 HB2 PHE 39 40.526 14.682 8.795 266 HB3 PHE 39 HB1 PHE 39 39.327 15.907 8.382 267 HD1 PHE 39 HD1 PHE 39 40.452 14.513 11.677 268 HD2 PHE 39 HD2 PHE 39 40.081 17.980 9.167 269 HE1 PHE 39 HE1 PHE 39 41.274 15.943 13.529 270 HE2 PHE 39 HE2 PHE 39 40.903 19.408 11.019 271 HZ PHE 39 HZ PHE 39 41.500 18.391 13.200 272 H LEU 40 HN LEU 40 37.647 16.717 9.634 273 HA LEU 40 HA LEU 40 37.269 17.263 12.351 274 HB2 LEU 40 HB2 LEU 40 35.802 19.072 11.615 275 HB3 LEU 40 HB1 LEU 40 37.217 18.979 10.567 276 HG LEU 40 HG LEU 40 35.423 17.246 9.355 277 HD11 LEU 40 HD11 LEU 40 33.942 19.730 10.274 278 HD12 LEU 40 HD12 LEU 40 33.642 18.097 10.870 279 HD13 LEU 40 HD13 LEU 40 33.321 18.493 9.181 280 HD21 LEU 40 HD21 LEU 40 35.984 20.186 8.849 281 HD22 LEU 40 HD22 LEU 40 35.196 19.116 7.690 282 HD23 LEU 40 HD23 LEU 40 36.864 18.813 8.176 283 H LEU 41 HN LEU 41 35.445 15.294 10.191 284 HA LEU 41 HA LEU 41 33.193 15.164 12.097 285 HB2 LEU 41 HB2 LEU 41 33.325 15.238 9.247 286 HB3 LEU 41 HB1 LEU 41 32.663 13.676 9.726 287 HG LEU 41 HG LEU 41 31.677 16.353 10.755 288 HD11 LEU 41 HD11 LEU 41 31.009 16.271 8.487 289 HD12 LEU 41 HD12 LEU 41 29.621 15.629 9.364 290 HD13 LEU 41 HD13 LEU 41 30.730 14.531 8.544 291 HD21 LEU 41 HD21 LEU 41 30.638 15.108 12.320 292 HD22 LEU 41 HD22 LEU 41 31.310 13.631 11.632 293 HD23 LEU 41 HD23 LEU 41 29.776 14.262 11.035 294 H GLY 42 HN GLY 42 35.820 13.388 10.708 295 HA2 GLY 42 HA2 GLY 42 35.168 10.754 10.895 296 HA3 GLY 42 HA1 GLY 42 36.744 11.371 11.383 297 H THR 43 HN THR 43 36.290 12.755 13.630 298 HA THR 43 HA THR 43 34.622 11.228 15.460 299 HB THR 43 HB THR 43 36.942 10.076 15.180 300 HG1 THR 43 HG1 THR 43 36.820 9.498 17.320 301 HG21 THR 43 HG21 THR 43 38.775 11.038 16.290 302 HG22 THR 43 HG22 THR 43 37.758 12.172 17.180 303 HG23 THR 43 HG23 THR 43 38.048 12.413 15.458 304 H THR 44 HN THR 44 36.470 13.964 14.569 305 HA THR 44 HA THR 44 36.293 15.289 17.144 306 HB THR 44 HB THR 44 37.251 16.147 14.414 307 HG1 THR 44 HG1 THR 44 38.660 14.874 15.596 308 HG21 THR 44 HG21 THR 44 36.352 18.156 15.260 309 HG22 THR 44 HG22 THR 44 38.043 18.213 15.761 310 HG23 THR 44 HG23 THR 44 36.793 17.757 16.920 311 H GLY 45 HN GLY 45 34.220 14.758 14.535 312 HA2 GLY 45 HA2 GLY 45 32.828 17.095 14.127 313 HA3 GLY 45 HA1 GLY 45 32.076 15.503 14.132 314 H ASN 46 HN ASN 46 33.246 15.483 17.081 315 HA ASN 46 HA ASN 46 32.149 15.583 19.126 316 HB2 ASN 46 HB2 ASN 46 33.227 17.894 18.684 317 HB3 ASN 46 HB1 ASN 46 31.580 18.441 18.376 318 HD21 ASN 46 HD21 ASN 46 30.625 16.332 20.438 319 HD22 ASN 46 HD22 ASN 46 30.933 17.074 21.934 320 H GLY 47 HN GLY 47 30.512 14.631 17.042 321 HA2 GLY 47 HA2 GLY 47 28.305 14.181 16.591 322 HA3 GLY 47 HA1 GLY 47 27.971 14.778 18.215 323 H LEU 48 HN LEU 48 27.348 15.288 14.999 324 HA LEU 48 HA LEU 48 27.409 18.037 14.624 325 HB2 LEU 48 HB2 LEU 48 25.875 15.776 13.516 326 HB3 LEU 48 HB1 LEU 48 25.085 17.348 13.369 327 HG LEU 48 HG LEU 48 27.102 18.279 12.317 328 HD11 LEU 48 HD11 LEU 48 28.976 17.184 13.100 329 HD12 LEU 48 HD12 LEU 48 28.759 16.304 11.588 330 HD13 LEU 48 HD13 LEU 48 28.184 15.609 13.102 331 HD21 LEU 48 HD21 LEU 48 27.050 16.901 10.223 332 HD22 LEU 48 HD22 LEU 48 25.442 17.287 10.835 333 HD23 LEU 48 HD23 LEU 48 26.122 15.680 11.095 334 H VAL 49 HN VAL 49 25.766 16.298 16.970 335 HA VAL 49 HA VAL 49 23.342 17.619 17.318 336 HB VAL 49 HB VAL 49 23.403 16.838 19.583 337 HG11 VAL 49 HG11 VAL 49 23.707 15.190 17.476 338 HG12 VAL 49 HG12 VAL 49 23.600 14.591 19.132 339 HG13 VAL 49 HG13 VAL 49 25.177 14.777 18.362 340 HG21 VAL 49 HG21 VAL 49 26.404 16.810 19.162 341 HG22 VAL 49 HG22 VAL 49 25.634 15.933 20.483 342 HG23 VAL 49 HG23 VAL 49 25.488 17.688 20.387 343 H LEU 50 HN LEU 50 26.414 18.933 17.336 344 HA LEU 50 HA LEU 50 25.638 21.170 19.101 345 HB2 LEU 50 HB2 LEU 50 28.361 20.363 18.050 346 HB3 LEU 50 HB1 LEU 50 28.046 21.728 19.119 347 HG LEU 50 HG LEU 50 27.432 18.827 19.764 348 HD11 LEU 50 HD11 LEU 50 29.837 19.225 19.731 349 HD12 LEU 50 HD12 LEU 50 29.294 19.091 21.403 350 HD13 LEU 50 HD13 LEU 50 29.638 20.677 20.712 351 HD21 LEU 50 HD21 LEU 50 27.362 20.049 22.134 352 HD22 LEU 50 HD22 LEU 50 25.934 19.983 21.103 353 HD23 LEU 50 HD23 LEU 50 26.928 21.439 21.142 354 H TRP 51 HN TRP 51 24.881 20.610 16.205 355 HA TRP 51 HA TRP 51 25.771 23.216 15.123 356 HB2 TRP 51 HB2 TRP 51 26.858 21.869 13.622 357 HB3 TRP 51 HB1 TRP 51 25.749 20.520 13.867 358 HD1 TRP 51 HD1 TRP 51 25.754 24.031 12.247 359 HE1 TRP 51 HE1 TRP 51 24.159 23.982 10.222 360 HE3 TRP 51 HE3 TRP 51 23.947 19.273 12.661 361 HZ2 TRP 51 HZ2 TRP 51 22.356 22.165 8.947 362 HZ3 TRP 51 HZ3 TRP 51 22.295 18.409 11.030 363 HH2 TRP 51 HH2 TRP 51 21.497 19.848 9.175 364 H THR 52 HN THR 52 23.299 20.663 14.818 365 HA THR 52 HA THR 52 21.367 22.472 13.680 366 HB THR 52 HB THR 52 21.319 20.096 13.103 367 HG1 THR 52 HG1 THR 52 19.029 19.969 14.428 368 HG21 THR 52 HG21 THR 52 22.184 19.332 15.347 369 HG22 THR 52 HG22 THR 52 20.824 18.392 14.733 370 HG23 THR 52 HG23 THR 52 20.565 19.599 15.992 371 H VAL 53 HN VAL 53 22.109 21.204 16.870 372 HA VAL 53 HA VAL 53 19.743 21.904 18.208 373 HB VAL 53 HB VAL 53 22.603 21.711 19.164 374 HG11 VAL 53 HG11 VAL 53 20.114 22.578 20.547 375 HG12 VAL 53 HG12 VAL 53 21.793 22.995 20.888 376 HG13 VAL 53 HG13 VAL 53 21.146 21.442 21.415 377 HG21 VAL 53 HG21 VAL 53 20.174 19.916 19.476 378 HG22 VAL 53 HG22 VAL 53 21.774 19.598 20.143 379 HG23 VAL 53 HG23 VAL 53 21.536 19.619 18.397 380 H PHE 54 HN PHE 54 22.598 23.797 17.372 381 HA PHE 54 HA PHE 54 21.859 26.102 18.903 382 HB2 PHE 54 HB2 PHE 54 24.178 25.357 17.839 383 HB3 PHE 54 HB1 PHE 54 23.601 26.338 16.490 384 HD1 PHE 54 HD1 PHE 54 24.185 26.403 20.179 385 HD2 PHE 54 HD2 PHE 54 23.692 28.697 16.581 386 HE1 PHE 54 HE1 PHE 54 24.812 28.465 21.407 387 HE2 PHE 54 HE2 PHE 54 24.319 30.758 17.809 388 HZ PHE 54 HZ PHE 54 24.879 30.643 20.222 389 H ARG 55 HN ARG 55 20.037 24.820 16.728 390 HA ARG 55 HA ARG 55 19.175 27.403 15.612 391 HB2 ARG 55 HB2 ARG 55 18.969 25.014 13.844 392 HB3 ARG 55 HB1 ARG 55 19.188 26.713 13.423 393 HG2 ARG 55 HG2 ARG 55 21.521 26.573 14.355 394 HG3 ARG 55 HG1 ARG 55 21.283 24.837 14.551 395 HD2 ARG 55 HD2 ARG 55 21.951 24.583 12.418 396 HD3 ARG 55 HD1 ARG 55 20.463 25.388 11.926 397 HE ARG 55 HE ARG 55 22.142 27.459 12.507 398 HH11 ARG 55 HH21 ARG 55 22.351 24.610 10.555 399 HH12 ARG 55 HH22 ARG 55 23.420 25.318 9.391 400 HH21 ARG 55 HH11 ARG 55 23.543 28.395 10.983 401 HH22 ARG 55 HH12 ARG 55 24.094 27.461 9.633 402 H LYS 56 HN LYS 56 18.439 24.796 17.429 403 HA LYS 56 HA LYS 56 15.807 24.159 16.481 404 HB2 LYS 56 HB2 LYS 56 17.573 23.032 18.292 405 HB3 LYS 56 HB1 LYS 56 16.291 23.670 19.322 406 HG2 LYS 56 HG2 LYS 56 15.593 21.468 18.731 407 HG3 LYS 56 HG1 LYS 56 14.640 22.551 17.717 408 HD2 LYS 56 HD2 LYS 56 16.948 22.131 16.223 409 HD3 LYS 56 HD1 LYS 56 16.627 20.552 16.938 410 HE2 LYS 56 HE2 LYS 56 15.399 20.608 14.885 411 HE3 LYS 56 HE1 LYS 56 14.213 20.836 16.171 412 HZ1 LYS 56 HZ1 LYS 56 14.128 22.407 14.186 413 HZ2 LYS 56 HZ2 LYS 56 15.511 23.138 14.851 414 HZ3 LYS 56 HZ3 LYS 56 14.058 23.099 15.733 415 H LYS 57 HN LYS 57 16.941 25.883 19.399 416 HA LYS 57 HA LYS 57 14.464 26.822 20.260 417 HB2 LYS 57 HB2 LYS 57 15.735 28.558 21.468 418 HB3 LYS 57 HB1 LYS 57 16.492 26.973 21.629 419 HG2 LYS 57 HG2 LYS 57 18.396 27.848 20.813 420 HG3 LYS 57 HG1 LYS 57 17.567 28.125 19.280 421 HD2 LYS 57 HD2 LYS 57 18.470 30.242 20.055 422 HD3 LYS 57 HD1 LYS 57 16.713 30.297 20.202 423 HE2 LYS 57 HE2 LYS 57 16.938 30.754 22.392 424 HE3 LYS 57 HE1 LYS 57 17.705 29.183 22.618 425 HZ1 LYS 57 HZ1 LYS 57 19.770 30.419 21.689 426 HZ2 LYS 57 HZ2 LYS 57 19.339 30.604 23.322 427 HZ3 LYS 57 HZ3 LYS 57 18.946 31.813 22.193 428 H GLY 58 HN GLY 58 16.249 27.692 17.490 429 HA2 GLY 58 HA2 GLY 58 15.223 28.977 15.743 430 HA3 GLY 58 HA1 GLY 58 14.377 29.909 16.973 431 H HIS 59 HN HIS 59 17.802 29.048 16.442 432 HA HIS 59 HA HIS 59 19.690 30.347 16.280 433 HB2 HIS 59 HB2 HIS 59 17.968 32.757 15.766 434 HB3 HIS 59 HB1 HIS 59 19.559 32.369 15.111 435 HD2 HIS 59 HD2 HIS 59 18.331 29.171 14.305 436 HE1 HIS 59 HE1 HIS 59 16.224 31.475 11.462 437 HE2 HIS 59 HE2 HIS 59 16.957 29.124 12.085 438 H HIS 60 HN HIS 60 17.303 32.679 17.546 439 HA HIS 60 HA HIS 60 18.515 32.593 20.187 440 HB2 HIS 60 HB2 HIS 60 19.728 34.284 18.481 441 HB3 HIS 60 HB1 HIS 60 18.420 35.329 19.039 442 HD2 HIS 60 HD2 HIS 60 18.417 34.188 22.212 443 HE1 HIS 60 HE1 HIS 60 22.395 35.604 22.218 444 HE2 HIS 60 HE2 HIS 60 20.455 34.883 23.690 445 H HIS 61 HN HIS 61 16.797 32.526 21.477 446 HA HIS 61 HA HIS 61 14.304 33.830 20.661 447 HB2 HIS 61 HB2 HIS 61 14.625 31.405 21.684 448 HB3 HIS 61 HB1 HIS 61 14.560 32.291 23.207 449 HD2 HIS 61 HD2 HIS 61 12.293 32.737 19.946 450 HE1 HIS 61 HE1 HIS 61 9.813 32.372 23.344 451 HE2 HIS 61 HE2 HIS 61 9.837 32.737 20.831 452 H HIS 62 HN HIS 62 13.214 34.243 23.215 453 HA HIS 62 HA HIS 62 14.156 36.849 23.794 454 HB2 HIS 62 HB2 HIS 62 11.841 35.638 24.272 455 HB3 HIS 62 HB1 HIS 62 12.600 35.325 25.833 456 HD2 HIS 62 HD2 HIS 62 11.020 38.289 23.884 457 HE1 HIS 62 HE1 HIS 62 12.630 39.862 27.456 458 HE2 HIS 62 HE2 HIS 62 11.174 40.379 25.441 459 H HIS 63 HN HIS 63 14.900 37.572 25.959 460 HA HIS 63 HA HIS 63 16.283 35.664 27.632 461 HB2 HIS 63 HB2 HIS 63 17.786 36.167 25.576 462 HB3 HIS 63 HB1 HIS 63 18.022 37.743 26.332 463 HD2 HIS 63 HD2 HIS 63 17.979 36.221 29.475 464 HE1 HIS 63 HE1 HIS 63 21.639 34.683 28.039 465 HE2 HIS 63 HE2 HIS 63 20.234 35.072 30.118 466 H HIS 64 HN HIS 64 14.239 37.393 28.253 467 HA HIS 64 HA HIS 64 14.762 39.945 29.109 468 HB2 HIS 64 HB2 HIS 64 12.621 38.447 29.338 469 HB3 HIS 64 HB1 HIS 64 13.273 38.097 30.939 470 HD2 HIS 64 HD2 HIS 64 13.675 40.524 32.563 471 HE1 HIS 64 HE1 HIS 64 10.931 42.794 30.296 472 HE2 HIS 64 HE2 HIS 64 12.268 42.721 32.454 Start of MODEL 39 1 H1 MET 1 HT1 MET 1 61.624 50.772 -31.499 2 H2 MET 1 HT2 MET 1 61.156 50.037 -30.041 3 H3 MET 1 HT3 MET 1 60.289 51.370 -30.638 4 HA MET 1 HA MET 1 59.740 49.989 -32.640 5 HB2 MET 1 HB2 MET 1 60.932 47.903 -30.797 6 HB3 MET 1 HB1 MET 1 59.868 47.501 -32.146 7 HG2 MET 1 HG2 MET 1 61.413 48.589 -33.714 8 HG3 MET 1 HG1 MET 1 62.468 49.045 -32.377 9 HE1 MET 1 HE1 MET 1 63.859 47.956 -34.423 10 HE2 MET 1 HE2 MET 1 62.722 46.871 -35.218 11 HE3 MET 1 HE3 MET 1 64.210 46.225 -34.532 12 H GLU 2 HN GLU 2 57.597 50.158 -32.507 13 HA GLU 2 HA GLU 2 56.247 50.046 -29.949 14 HB2 GLU 2 HB2 GLU 2 55.312 50.566 -32.773 15 HB3 GLU 2 HB1 GLU 2 54.207 50.495 -31.400 16 HG2 GLU 2 HG2 GLU 2 55.182 52.379 -30.364 17 HG3 GLU 2 HG1 GLU 2 56.644 52.269 -31.343 18 H GLU 3 HN GLU 3 56.899 47.735 -29.626 19 HA GLU 3 HA GLU 3 56.042 45.585 -31.146 20 HB2 GLU 3 HB2 GLU 3 56.354 45.912 -28.163 21 HB3 GLU 3 HB1 GLU 3 55.918 44.369 -28.900 22 HG2 GLU 3 HG2 GLU 3 57.969 44.149 -29.981 23 HG3 GLU 3 HG1 GLU 3 58.276 45.885 -29.969 24 H GLY 4 HN GLY 4 54.160 44.460 -31.384 25 HA2 GLY 4 HA2 GLY 4 51.725 45.784 -30.408 26 HA3 GLY 4 HA1 GLY 4 51.814 44.625 -31.730 27 H GLY 5 HN GLY 5 53.648 43.740 -29.007 28 HA2 GLY 5 HA2 GLY 5 51.456 42.153 -27.846 29 HA3 GLY 5 HA1 GLY 5 52.905 41.323 -28.404 30 H ASP 6 HN ASP 6 51.480 43.188 -25.892 31 HA ASP 6 HA ASP 6 53.744 44.108 -24.513 32 HB2 ASP 6 HB2 ASP 6 51.355 44.709 -24.015 33 HB3 ASP 6 HB1 ASP 6 51.171 43.125 -23.264 34 H PHE 7 HN PHE 7 52.824 40.954 -25.194 35 HA PHE 7 HA PHE 7 53.439 39.511 -22.891 36 HB2 PHE 7 HB2 PHE 7 52.549 38.215 -24.606 37 HB3 PHE 7 HB1 PHE 7 53.618 38.913 -25.824 38 HD1 PHE 7 HD2 PHE 7 53.487 36.629 -22.894 39 HD2 PHE 7 HD1 PHE 7 55.780 37.995 -26.258 40 HE1 PHE 7 HE2 PHE 7 55.092 34.769 -22.554 41 HE2 PHE 7 HE1 PHE 7 57.385 36.135 -25.919 42 HZ PHE 7 HZ PHE 7 57.041 34.522 -24.067 43 H ASP 8 HN ASP 8 55.458 41.493 -24.748 44 HA ASP 8 HA ASP 8 57.937 40.182 -24.587 45 HB2 ASP 8 HB2 ASP 8 56.993 42.694 -25.441 46 HB3 ASP 8 HB1 ASP 8 58.234 43.028 -24.234 47 H ASN 9 HN ASN 9 55.959 41.079 -22.095 48 HA ASN 9 HA ASN 9 58.169 41.684 -20.244 49 HB2 ASN 9 HB2 ASN 9 56.072 43.128 -20.330 50 HB3 ASN 9 HB1 ASN 9 55.214 41.755 -19.632 51 HD21 ASN 9 HD21 ASN 9 55.126 41.812 -17.389 52 HD22 ASN 9 HD22 ASN 9 56.269 42.566 -16.386 53 H TYR 10 HN TYR 10 56.799 39.026 -21.455 54 HA TYR 10 HA TYR 10 56.830 36.826 -20.782 55 HB2 TYR 10 HB2 TYR 10 57.711 37.567 -18.019 56 HB3 TYR 10 HB1 TYR 10 58.162 36.175 -19.004 57 HD1 TYR 10 HD2 TYR 10 58.997 37.301 -21.533 58 HD2 TYR 10 HD1 TYR 10 59.651 38.798 -17.560 59 HE1 TYR 10 HE2 TYR 10 61.016 38.506 -22.319 60 HE2 TYR 10 HE1 TYR 10 61.671 40.002 -18.346 61 HH TYR 10 HH TYR 10 62.620 39.951 -21.779 62 H TYR 11 HN TYR 11 55.479 39.241 -18.616 63 HA TYR 11 HA TYR 11 53.488 39.306 -17.483 64 HB2 TYR 11 HB2 TYR 11 52.972 37.814 -19.773 65 HB3 TYR 11 HB1 TYR 11 52.345 36.805 -18.476 66 HD1 TYR 11 HD2 TYR 11 51.362 38.649 -16.483 67 HD2 TYR 11 HD1 TYR 11 51.208 38.976 -20.764 68 HE1 TYR 11 HE2 TYR 11 49.386 40.133 -16.298 69 HE2 TYR 11 HE1 TYR 11 49.232 40.460 -20.578 70 HH TYR 11 HH TYR 11 48.391 42.100 -18.103 71 H GLY 12 HN GLY 12 51.968 36.916 -16.638 72 HA2 GLY 12 HA2 GLY 12 53.118 36.438 -14.149 73 HA3 GLY 12 HA1 GLY 12 51.921 35.393 -14.911 74 H ALA 13 HN ALA 13 55.374 36.073 -14.680 75 HA ALA 13 HA ALA 13 56.122 33.633 -16.040 76 HB1 ALA 13 HB1 ALA 13 57.375 35.988 -15.779 77 HB2 ALA 13 HB2 ALA 13 58.247 34.476 -16.037 78 HB3 ALA 13 HB3 ALA 13 58.097 35.140 -14.410 79 H ASP 14 HN ASP 14 56.578 34.900 -12.730 80 HA ASP 14 HA ASP 14 57.594 32.545 -11.601 81 HB2 ASP 14 HB2 ASP 14 56.965 33.514 -9.442 82 HB3 ASP 14 HB1 ASP 14 57.679 34.743 -10.486 83 H ASN 15 HN ASN 15 54.313 33.539 -12.302 84 HA ASN 15 HA ASN 15 52.775 31.937 -10.700 85 HB2 ASN 15 HB2 ASN 15 52.420 33.327 -13.144 86 HB3 ASN 15 HB1 ASN 15 51.770 31.706 -13.375 87 HD21 ASN 15 HD21 ASN 15 49.684 31.373 -12.580 88 HD22 ASN 15 HD22 ASN 15 48.916 32.368 -11.440 89 H GLN 16 HN GLN 16 54.791 30.974 -13.399 90 HA GLN 16 HA GLN 16 53.879 28.186 -13.123 91 HB2 GLN 16 HB2 GLN 16 55.743 29.263 -15.237 92 HB3 GLN 16 HB1 GLN 16 54.786 27.781 -15.276 93 HG2 GLN 16 HG2 GLN 16 52.755 29.435 -14.997 94 HG3 GLN 16 HG1 GLN 16 53.892 30.623 -15.635 95 HE21 GLN 16 HE21 GLN 16 53.962 30.741 -17.882 96 HE22 GLN 16 HE22 GLN 16 53.476 29.501 -18.935 97 H SER 17 HN SER 17 55.429 29.228 -11.033 98 HA SER 17 HA SER 17 58.153 28.239 -11.475 99 HB2 SER 17 HB2 SER 17 56.835 29.777 -9.244 100 HB3 SER 17 HB1 SER 17 58.438 29.071 -9.068 101 HG SER 17 HG SER 17 57.752 30.687 -11.281 102 H GLU 18 HN GLU 18 56.408 26.182 -11.681 103 HA GLU 18 HA GLU 18 55.731 24.167 -10.776 104 HB2 GLU 18 HB2 GLU 18 58.383 24.278 -10.760 105 HB3 GLU 18 HB1 GLU 18 58.141 24.215 -9.015 106 HG2 GLU 18 HG2 GLU 18 56.648 22.210 -9.383 107 HG3 GLU 18 HG1 GLU 18 57.160 22.219 -11.070 108 H CYS 19 HN CYS 19 54.454 26.259 -9.502 109 HA CYS 19 HA CYS 19 54.695 25.881 -6.624 110 HB2 CYS 19 HB2 CYS 19 52.647 27.505 -8.148 111 HB3 CYS 19 HB1 CYS 19 53.059 27.638 -6.438 112 HG CYS 19 HG CYS 19 54.367 29.470 -7.889 113 H GLU 20 HN GLU 20 51.931 25.747 -8.886 114 HA GLU 20 HA GLU 20 51.038 23.262 -7.610 115 HB2 GLU 20 HB2 GLU 20 49.530 25.863 -7.626 116 HB3 GLU 20 HB1 GLU 20 48.669 24.324 -7.603 117 HG2 GLU 20 HG2 GLU 20 49.879 23.652 -5.577 118 HG3 GLU 20 HG1 GLU 20 50.797 25.156 -5.609 119 H TYR 21 HN TYR 21 52.033 22.925 -9.924 120 HA TYR 21 HA TYR 21 49.746 22.652 -11.735 121 HB2 TYR 21 HB2 TYR 21 52.370 23.874 -12.620 122 HB3 TYR 21 HB1 TYR 21 50.958 23.566 -13.633 123 HD1 TYR 21 HD2 TYR 21 52.224 25.551 -10.757 124 HD2 TYR 21 HD1 TYR 21 49.084 25.053 -13.646 125 HE1 TYR 21 HE2 TYR 21 51.278 27.751 -10.109 126 HE2 TYR 21 HE1 TYR 21 48.138 27.252 -12.998 127 HH TYR 21 HH TYR 21 49.479 29.101 -10.292 128 H THR 22 HN THR 22 51.324 20.816 -10.091 129 HA THR 22 HA THR 22 51.736 18.762 -12.019 130 HB THR 22 HB THR 22 53.831 19.479 -12.613 131 HG1 THR 22 HG1 THR 22 54.338 17.579 -11.680 132 HG21 THR 22 HG21 THR 22 53.781 20.844 -9.942 133 HG22 THR 22 HG22 THR 22 54.038 21.538 -11.542 134 HG23 THR 22 HG23 THR 22 55.321 20.609 -10.767 135 H ASP 23 HN ASP 23 52.742 19.895 -8.794 136 HA ASP 23 HA ASP 23 52.555 17.199 -7.712 137 HB2 ASP 23 HB2 ASP 23 54.282 18.992 -7.043 138 HB3 ASP 23 HB1 ASP 23 52.971 19.718 -6.115 139 H TRP 24 HN TRP 24 50.122 18.167 -8.775 140 HA TRP 24 HA TRP 24 48.386 17.711 -6.552 141 HB2 TRP 24 HB2 TRP 24 47.438 19.793 -6.197 142 HB3 TRP 24 HB1 TRP 24 49.119 20.245 -6.487 143 HD1 TRP 24 HD1 TRP 24 49.718 21.010 -9.058 144 HE1 TRP 24 HE1 TRP 24 48.266 22.300 -10.754 145 HE3 TRP 24 HE3 TRP 24 45.097 20.264 -7.014 146 HZ2 TRP 24 HZ2 TRP 24 45.511 22.933 -11.187 147 HZ3 TRP 24 HZ3 TRP 24 43.079 21.221 -8.087 148 HH2 TRP 24 HH2 TRP 24 43.280 22.553 -10.169 149 H LYS 25 HN LYS 25 49.011 16.868 -9.362 150 HA LYS 25 HA LYS 25 47.227 17.533 -11.296 151 HB2 LYS 25 HB2 LYS 25 48.889 15.341 -10.793 152 HB3 LYS 25 HB1 LYS 25 47.288 14.644 -11.039 153 HG2 LYS 25 HG2 LYS 25 48.320 14.805 -13.205 154 HG3 LYS 25 HG1 LYS 25 47.095 16.071 -13.124 155 HD2 LYS 25 HD2 LYS 25 49.424 17.237 -12.064 156 HD3 LYS 25 HD1 LYS 25 49.963 16.327 -13.476 157 HE2 LYS 25 HE2 LYS 25 47.801 18.447 -13.381 158 HE3 LYS 25 HE1 LYS 25 49.340 18.527 -14.239 159 HZ1 LYS 25 HZ1 LYS 25 46.885 17.167 -14.960 160 HZ2 LYS 25 HZ2 LYS 25 48.307 16.281 -15.237 161 HZ3 LYS 25 HZ3 LYS 25 48.103 17.809 -15.951 162 H SER 26 HN SER 26 46.555 15.642 -8.395 163 HA SER 26 HA SER 26 44.535 15.309 -7.313 164 HB2 SER 26 HB2 SER 26 42.914 16.384 -9.562 165 HB3 SER 26 HB1 SER 26 42.723 16.610 -7.826 166 HG SER 26 HG SER 26 43.701 18.437 -8.144 167 H SER 27 HN SER 27 44.251 13.165 -7.306 168 HA SER 27 HA SER 27 43.782 11.696 -9.767 169 HB2 SER 27 HB2 SER 27 45.130 10.973 -7.615 170 HB3 SER 27 HB1 SER 27 43.543 10.452 -7.058 171 HG SER 27 HG SER 27 45.145 9.163 -8.653 172 H GLY 28 HN GLY 28 41.742 13.474 -9.480 173 HA2 GLY 28 HA2 GLY 28 39.433 12.247 -9.956 174 HA3 GLY 28 HA1 GLY 28 39.486 12.128 -8.200 175 H ALA 29 HN ALA 29 40.759 14.621 -7.697 176 HA ALA 29 HA ALA 29 40.403 16.910 -7.637 177 HB1 ALA 29 HB1 ALA 29 39.230 17.989 -9.291 178 HB2 ALA 29 HB2 ALA 29 37.954 16.773 -9.334 179 HB3 ALA 29 HB3 ALA 29 39.509 16.447 -10.099 180 H LEU 30 HN LEU 30 39.553 15.310 -5.631 181 HA LEU 30 HA LEU 30 37.360 16.846 -4.559 182 HB2 LEU 30 HB2 LEU 30 35.851 15.019 -4.111 183 HB3 LEU 30 HB1 LEU 30 36.185 15.047 -5.840 184 HG LEU 30 HG LEU 30 37.513 13.209 -3.816 185 HD11 LEU 30 HD11 LEU 30 35.840 11.769 -4.224 186 HD12 LEU 30 HD12 LEU 30 36.079 11.930 -5.964 187 HD13 LEU 30 HD13 LEU 30 35.010 13.046 -5.114 188 HD21 LEU 30 HD21 LEU 30 37.937 13.766 -6.734 189 HD22 LEU 30 HD22 LEU 30 38.178 12.128 -6.133 190 HD23 LEU 30 HD23 LEU 30 39.135 13.457 -5.478 191 H ILE 31 HN ILE 31 40.247 15.971 -4.110 192 HA ILE 31 HA ILE 31 40.265 14.437 -1.703 193 HB ILE 31 HB ILE 31 42.517 16.291 -2.222 194 HG12 ILE 31 HG12 ILE 31 41.513 14.250 -4.202 195 HG13 ILE 31 HG11 ILE 31 42.122 15.878 -4.508 196 HG21 ILE 31 HG21 ILE 31 42.315 14.286 -0.573 197 HG22 ILE 31 HG22 ILE 31 43.792 14.445 -1.522 198 HG23 ILE 31 HG23 ILE 31 42.554 13.288 -2.007 199 HD11 ILE 31 HD11 ILE 31 43.663 13.374 -3.872 200 HD12 ILE 31 HD12 ILE 31 44.355 14.955 -3.505 201 HD13 ILE 31 HD13 ILE 31 43.930 14.542 -5.166 202 HA PRO 32 HA PRO 32 40.540 18.652 0.456 203 HB2 PRO 32 HB2 PRO 32 39.853 20.900 -0.954 204 HB3 PRO 32 HB1 PRO 32 41.499 20.254 -0.871 205 HG2 PRO 32 HG2 PRO 32 39.611 20.250 -3.095 206 HG3 PRO 32 HG1 PRO 32 41.364 20.023 -3.102 207 HD2 PRO 32 HD2 PRO 32 39.321 18.005 -3.301 208 HD3 PRO 32 HD1 PRO 32 41.083 17.777 -3.310 209 H ALA 33 HN ALA 33 38.102 17.137 -0.817 210 HA ALA 33 HA ALA 33 36.023 18.844 0.423 211 HB1 ALA 33 HB1 ALA 33 35.694 18.768 -1.996 212 HB2 ALA 33 HB2 ALA 33 34.422 17.852 -1.188 213 HB3 ALA 33 HB3 ALA 33 35.757 17.006 -1.969 214 H ILE 34 HN ILE 34 37.544 15.762 0.186 215 HA ILE 34 HA ILE 34 35.472 14.522 1.882 216 HB ILE 34 HB ILE 34 37.504 13.448 -0.039 217 HG12 ILE 34 HG12 ILE 34 35.606 12.152 -0.807 218 HG13 ILE 34 HG11 ILE 34 34.653 12.633 0.597 219 HG21 ILE 34 HG21 ILE 34 36.457 12.075 2.437 220 HG22 ILE 34 HG22 ILE 34 38.112 12.130 1.827 221 HG23 ILE 34 HG23 ILE 34 36.899 11.153 1.001 222 HD11 ILE 34 HD11 ILE 34 34.296 13.896 -1.666 223 HD12 ILE 34 HD12 ILE 34 35.788 14.730 -1.235 224 HD13 ILE 34 HD13 ILE 34 34.385 14.829 -0.172 225 H TYR 35 HN TYR 35 39.024 14.344 1.533 226 HA TYR 35 HA TYR 35 39.681 13.356 4.003 227 HB2 TYR 35 HB2 TYR 35 41.712 13.650 3.111 228 HB3 TYR 35 HB1 TYR 35 41.047 14.750 1.902 229 HD1 TYR 35 HD1 TYR 35 40.905 17.185 2.355 230 HD2 TYR 35 HD2 TYR 35 42.792 14.477 5.104 231 HE1 TYR 35 HE1 TYR 35 41.984 19.102 3.501 232 HE2 TYR 35 HE2 TYR 35 43.872 16.394 6.250 233 HH TYR 35 HH TYR 35 44.549 18.799 5.566 234 H MET 36 HN MET 36 38.882 16.691 3.159 235 HA MET 36 HA MET 36 39.452 17.714 5.794 236 HB2 MET 36 HB2 MET 36 39.584 19.070 3.677 237 HB3 MET 36 HB1 MET 36 37.822 19.012 3.603 238 HG2 MET 36 HG2 MET 36 37.793 20.815 4.953 239 HG3 MET 36 HG1 MET 36 38.405 19.774 6.238 240 HE1 MET 36 HE1 MET 36 39.196 22.800 3.899 241 HE2 MET 36 HE2 MET 36 39.451 21.331 2.963 242 HE3 MET 36 HE3 MET 36 40.819 22.373 3.342 243 H LEU 37 HN LEU 37 36.475 17.122 3.919 244 HA LEU 37 HA LEU 37 34.760 17.699 6.153 245 HB2 LEU 37 HB2 LEU 37 34.070 16.231 3.600 246 HB3 LEU 37 HB1 LEU 37 32.954 17.049 4.693 247 HG LEU 37 HG LEU 37 35.163 18.391 3.104 248 HD11 LEU 37 HD11 LEU 37 33.640 18.796 1.483 249 HD12 LEU 37 HD12 LEU 37 32.392 19.217 2.655 250 HD13 LEU 37 HD13 LEU 37 32.672 17.528 2.233 251 HD21 LEU 37 HD21 LEU 37 33.711 20.435 3.923 252 HD22 LEU 37 HD22 LEU 37 34.924 19.738 4.998 253 HD23 LEU 37 HD23 LEU 37 33.222 19.323 5.201 254 H VAL 38 HN VAL 38 36.803 15.639 6.588 255 HA VAL 38 HA VAL 38 35.010 13.544 7.585 256 HB VAL 38 HB VAL 38 37.348 13.088 5.735 257 HG11 VAL 38 HG11 VAL 38 37.857 11.539 7.415 258 HG12 VAL 38 HG12 VAL 38 36.796 10.603 6.363 259 HG13 VAL 38 HG13 VAL 38 36.164 11.307 7.850 260 HG21 VAL 38 HG21 VAL 38 35.678 11.634 4.605 261 HG22 VAL 38 HG22 VAL 38 35.125 13.304 4.711 262 HG23 VAL 38 HG23 VAL 38 34.482 12.091 5.817 263 H PHE 39 HN PHE 39 37.930 15.380 7.727 264 HA PHE 39 HA PHE 39 39.138 13.882 9.875 265 HB2 PHE 39 HB2 PHE 39 40.761 15.021 8.693 266 HB3 PHE 39 HB1 PHE 39 39.734 16.430 8.431 267 HD1 PHE 39 HD1 PHE 39 40.723 14.547 11.521 268 HD2 PHE 39 HD2 PHE 39 40.709 18.303 9.437 269 HE1 PHE 39 HE1 PHE 39 41.731 15.650 13.501 270 HE2 PHE 39 HE2 PHE 39 41.716 19.406 11.416 271 HZ PHE 39 HZ PHE 39 42.228 18.079 13.448 272 H LEU 40 HN LEU 40 37.439 17.000 9.602 273 HA LEU 40 HA LEU 40 37.201 17.085 12.537 274 HB2 LEU 40 HB2 LEU 40 36.580 19.437 12.228 275 HB3 LEU 40 HB1 LEU 40 38.119 19.093 11.438 276 HG LEU 40 HG LEU 40 36.179 18.516 9.500 277 HD11 LEU 40 HD11 LEU 40 35.578 21.153 10.874 278 HD12 LEU 40 HD12 LEU 40 34.539 19.729 10.927 279 HD13 LEU 40 HD13 LEU 40 34.826 20.555 9.395 280 HD21 LEU 40 HD21 LEU 40 38.327 19.496 8.994 281 HD22 LEU 40 HD22 LEU 40 37.966 20.920 9.970 282 HD23 LEU 40 HD23 LEU 40 37.094 20.640 8.462 283 H LEU 41 HN LEU 41 35.559 15.708 10.166 284 HA LEU 41 HA LEU 41 32.961 16.205 11.462 285 HB2 LEU 41 HB2 LEU 41 33.687 16.923 8.760 286 HB3 LEU 41 HB1 LEU 41 32.396 15.721 8.751 287 HG LEU 41 HG LEU 41 32.350 18.233 10.445 288 HD11 LEU 41 HD11 LEU 41 32.275 18.873 8.100 289 HD12 LEU 41 HD12 LEU 41 30.651 19.012 8.775 290 HD13 LEU 41 HD13 LEU 41 31.069 17.630 7.764 291 HD21 LEU 41 HD21 LEU 41 30.849 15.833 10.511 292 HD22 LEU 41 HD22 LEU 41 29.798 17.050 9.786 293 HD23 LEU 41 HD23 LEU 41 30.507 17.329 11.377 294 H GLY 42 HN GLY 42 35.179 14.040 11.200 295 HA2 GLY 42 HA2 GLY 42 33.289 11.809 10.779 296 HA3 GLY 42 HA1 GLY 42 34.886 11.771 10.034 297 H THR 43 HN THR 43 35.252 13.386 12.872 298 HA THR 43 HA THR 43 35.463 11.050 14.609 299 HB THR 43 HB THR 43 37.820 12.573 13.538 300 HG1 THR 43 HG1 THR 43 37.035 9.901 13.931 301 HG21 THR 43 HG21 THR 43 39.055 11.377 15.494 302 HG22 THR 43 HG22 THR 43 37.470 11.355 16.268 303 HG23 THR 43 HG23 THR 43 38.216 12.892 15.830 304 H THR 44 HN THR 44 36.315 14.490 14.240 305 HA THR 44 HA THR 44 36.249 15.114 16.998 306 HB THR 44 HB THR 44 35.958 16.784 14.503 307 HG1 THR 44 HG1 THR 44 37.948 16.720 16.515 308 HG21 THR 44 HG21 THR 44 34.718 18.049 16.060 309 HG22 THR 44 HG22 THR 44 36.348 18.710 16.184 310 HG23 THR 44 HG23 THR 44 35.760 17.579 17.403 311 H GLY 45 HN GLY 45 33.769 14.317 14.846 312 HA2 GLY 45 HA2 GLY 45 31.594 15.851 15.362 313 HA3 GLY 45 HA1 GLY 45 31.496 14.095 15.258 314 H ASN 46 HN ASN 46 32.347 12.995 17.378 315 HA ASN 46 HA ASN 46 31.818 14.458 19.815 316 HB2 ASN 46 HB2 ASN 46 29.530 13.966 19.077 317 HB3 ASN 46 HB1 ASN 46 29.932 12.255 18.950 318 HD21 ASN 46 HD21 ASN 46 31.090 14.411 21.547 319 HD22 ASN 46 HD22 ASN 46 30.246 13.626 22.793 320 H GLY 47 HN GLY 47 30.916 11.213 20.043 321 HA2 GLY 47 HA2 GLY 47 33.088 10.499 21.688 322 HA3 GLY 47 HA1 GLY 47 31.923 9.377 20.990 323 H LEU 48 HN LEU 48 33.036 7.792 20.051 324 HA LEU 48 HA LEU 48 34.443 6.685 18.617 325 HB2 LEU 48 HB2 LEU 48 35.038 9.330 17.300 326 HB3 LEU 48 HB1 LEU 48 35.072 7.720 16.588 327 HG LEU 48 HG LEU 48 32.644 9.310 17.444 328 HD11 LEU 48 HD11 LEU 48 33.909 9.362 15.088 329 HD12 LEU 48 HD12 LEU 48 32.150 9.438 15.195 330 HD13 LEU 48 HD13 LEU 48 32.945 7.908 14.826 331 HD21 LEU 48 HD21 LEU 48 32.954 6.365 16.834 332 HD22 LEU 48 HD22 LEU 48 31.416 7.199 16.617 333 HD23 LEU 48 HD23 LEU 48 32.153 7.114 18.216 334 H VAL 49 HN VAL 49 35.434 9.118 20.679 335 HA VAL 49 HA VAL 49 38.278 8.386 20.339 336 HB VAL 49 HB VAL 49 38.344 10.662 19.932 337 HG11 VAL 49 HG11 VAL 49 35.844 10.687 21.503 338 HG12 VAL 49 HG12 VAL 49 36.307 11.651 20.104 339 HG13 VAL 49 HG13 VAL 49 36.858 12.112 21.714 340 HG21 VAL 49 HG21 VAL 49 38.346 10.797 22.948 341 HG22 VAL 49 HG22 VAL 49 39.369 11.669 21.807 342 HG23 VAL 49 HG23 VAL 49 39.614 9.943 22.068 343 H LEU 50 HN LEU 50 35.572 8.769 22.502 344 HA LEU 50 HA LEU 50 37.149 7.447 24.624 345 HB2 LEU 50 HB2 LEU 50 35.454 8.699 26.187 346 HB3 LEU 50 HB1 LEU 50 36.884 9.542 25.596 347 HG LEU 50 HG LEU 50 35.570 10.550 23.790 348 HD11 LEU 50 HD11 LEU 50 33.395 8.812 24.952 349 HD12 LEU 50 HD12 LEU 50 33.915 8.941 23.271 350 HD13 LEU 50 HD13 LEU 50 33.008 10.256 24.018 351 HD21 LEU 50 HD21 LEU 50 35.654 11.803 25.854 352 HD22 LEU 50 HD22 LEU 50 34.374 10.817 26.559 353 HD23 LEU 50 HD23 LEU 50 34.009 11.914 25.228 354 H TRP 51 HN TRP 51 34.822 7.026 22.425 355 HA TRP 51 HA TRP 51 32.819 5.737 24.093 356 HB2 TRP 51 HB2 TRP 51 31.889 6.752 22.187 357 HB3 TRP 51 HB1 TRP 51 33.160 6.140 21.130 358 HD1 TRP 51 HD1 TRP 51 30.603 4.492 23.536 359 HE1 TRP 51 HE1 TRP 51 29.572 2.459 22.331 360 HE3 TRP 51 HE3 TRP 51 33.073 4.766 19.075 361 HZ2 TRP 51 HZ2 TRP 51 29.771 1.126 19.808 362 HZ3 TRP 51 HZ3 TRP 51 32.634 3.104 17.290 363 HH2 TRP 51 HH2 TRP 51 30.986 1.286 17.652 364 H THR 52 HN THR 52 34.243 4.394 21.151 365 HA THR 52 HA THR 52 34.041 1.747 21.704 366 HB THR 52 HB THR 52 34.918 2.038 19.612 367 HG1 THR 52 HG1 THR 52 37.487 1.960 20.606 368 HG21 THR 52 HG21 THR 52 36.477 4.259 20.905 369 HG22 THR 52 HG22 THR 52 35.351 4.335 19.549 370 HG23 THR 52 HG23 THR 52 36.960 3.649 19.321 371 H VAL 53 HN VAL 53 36.825 3.782 22.619 372 HA VAL 53 HA VAL 53 38.397 1.900 23.880 373 HB VAL 53 HB VAL 53 37.909 4.807 24.522 374 HG11 VAL 53 HG11 VAL 53 38.705 4.143 26.592 375 HG12 VAL 53 HG12 VAL 53 40.234 4.373 25.742 376 HG13 VAL 53 HG13 VAL 53 39.565 2.752 25.931 377 HG21 VAL 53 HG21 VAL 53 39.074 3.973 22.373 378 HG22 VAL 53 HG22 VAL 53 40.386 3.462 23.434 379 HG23 VAL 53 HG23 VAL 53 39.939 5.166 23.343 380 H PHE 54 HN PHE 54 35.643 3.695 25.216 381 HA PHE 54 HA PHE 54 35.851 2.525 27.825 382 HB2 PHE 54 HB2 PHE 54 34.703 4.737 27.150 383 HB3 PHE 54 HB1 PHE 54 33.341 3.722 26.673 384 HD1 PHE 54 HD2 PHE 54 35.648 4.402 29.539 385 HD2 PHE 54 HD1 PHE 54 31.800 2.968 28.280 386 HE1 PHE 54 HE2 PHE 54 34.932 4.244 31.908 387 HE2 PHE 54 HE1 PHE 54 31.084 2.809 30.650 388 HZ PHE 54 HZ PHE 54 32.650 3.447 32.463 389 H ARG 55 HN ARG 55 35.461 0.900 25.180 390 HA ARG 55 HA ARG 55 33.532 -0.980 26.368 391 HB2 ARG 55 HB2 ARG 55 33.436 0.238 23.629 392 HB3 ARG 55 HB1 ARG 55 32.842 -1.405 23.875 393 HG2 ARG 55 HG2 ARG 55 31.071 -0.720 25.175 394 HG3 ARG 55 HG1 ARG 55 31.949 0.665 25.826 395 HD2 ARG 55 HD2 ARG 55 30.088 1.297 24.259 396 HD3 ARG 55 HD1 ARG 55 31.668 1.897 23.767 397 HE ARG 55 HE ARG 55 31.589 0.473 21.921 398 HH11 ARG 55 HH21 ARG 55 29.115 -0.276 24.222 399 HH12 ARG 55 HH22 ARG 55 28.278 -1.371 23.173 400 HH21 ARG 55 HH11 ARG 55 30.496 -0.961 20.539 401 HH22 ARG 55 HH12 ARG 55 29.060 -1.759 21.088 402 H LYS 56 HN LYS 56 36.344 -0.330 24.440 403 HA LYS 56 HA LYS 56 36.789 -3.012 23.540 404 HB2 LYS 56 HB2 LYS 56 38.675 -0.660 23.814 405 HB3 LYS 56 HB1 LYS 56 39.070 -2.177 23.006 406 HG2 LYS 56 HG2 LYS 56 36.560 -0.792 22.177 407 HG3 LYS 56 HG1 LYS 56 38.091 -0.086 21.656 408 HD2 LYS 56 HD2 LYS 56 38.769 -2.218 20.661 409 HD3 LYS 56 HD1 LYS 56 37.284 -2.978 21.235 410 HE2 LYS 56 HE2 LYS 56 37.035 -2.355 18.879 411 HE3 LYS 56 HE1 LYS 56 35.963 -1.369 19.875 412 HZ1 LYS 56 HZ1 LYS 56 36.932 0.393 18.979 413 HZ2 LYS 56 HZ2 LYS 56 38.107 -0.557 18.202 414 HZ3 LYS 56 HZ3 LYS 56 38.360 -0.019 19.794 415 H LYS 57 HN LYS 57 37.143 -1.448 26.539 416 HA LYS 57 HA LYS 57 39.398 -2.623 27.665 417 HB2 LYS 57 HB2 LYS 57 38.279 -2.311 29.835 418 HB3 LYS 57 HB1 LYS 57 38.069 -0.896 28.802 419 HG2 LYS 57 HG2 LYS 57 35.841 -1.104 29.025 420 HG3 LYS 57 HG1 LYS 57 35.930 -2.663 28.205 421 HD2 LYS 57 HD2 LYS 57 34.881 -2.996 30.368 422 HD3 LYS 57 HD1 LYS 57 36.488 -3.724 30.409 423 HE2 LYS 57 HE2 LYS 57 36.994 -2.438 32.183 424 HE3 LYS 57 HE1 LYS 57 36.800 -1.008 31.170 425 HZ1 LYS 57 HZ1 LYS 57 35.335 -1.330 33.275 426 HZ2 LYS 57 HZ2 LYS 57 34.412 -2.327 32.254 427 HZ3 LYS 57 HZ3 LYS 57 34.656 -0.693 31.857 428 H GLY 58 HN GLY 58 36.390 -4.053 26.753 429 HA2 GLY 58 HA2 GLY 58 35.500 -6.165 27.045 430 HA3 GLY 58 HA1 GLY 58 37.171 -6.677 26.820 431 H HIS 59 HN HIS 59 38.440 -7.182 28.612 432 HA HIS 59 HA HIS 59 38.694 -8.293 30.630 433 HB2 HIS 59 HB2 HIS 59 37.823 -5.501 31.155 434 HB3 HIS 59 HB1 HIS 59 37.842 -6.603 32.532 435 HD2 HIS 59 HD2 HIS 59 40.353 -4.662 30.310 436 HE1 HIS 59 HE1 HIS 59 42.621 -7.205 32.802 437 HE2 HIS 59 HE2 HIS 59 42.746 -5.276 31.155 438 H HIS 60 HN HIS 60 35.938 -6.533 31.868 439 HA HIS 60 HA HIS 60 34.248 -8.930 31.732 440 HB2 HIS 60 HB2 HIS 60 34.016 -9.212 34.002 441 HB3 HIS 60 HB1 HIS 60 35.682 -8.636 33.956 442 HD2 HIS 60 HD2 HIS 60 35.319 -5.441 33.818 443 HE1 HIS 60 HE1 HIS 60 32.619 -5.834 37.039 444 HE2 HIS 60 HE2 HIS 60 34.066 -4.199 35.743 445 H HIS 61 HN HIS 61 32.009 -8.411 32.622 446 HA HIS 61 HA HIS 61 31.284 -5.582 32.322 447 HB2 HIS 61 HB2 HIS 61 30.950 -7.441 30.242 448 HB3 HIS 61 HB1 HIS 61 29.350 -7.243 30.959 449 HD2 HIS 61 HD2 HIS 61 32.187 -4.616 29.924 450 HE1 HIS 61 HE1 HIS 61 28.396 -3.101 28.846 451 HE2 HIS 61 HE2 HIS 61 30.892 -2.630 28.829 452 H HIS 62 HN HIS 62 31.145 -8.323 34.083 453 HA HIS 62 HA HIS 62 29.906 -8.915 35.930 454 HB2 HIS 62 HB2 HIS 62 29.663 -6.230 35.903 455 HB3 HIS 62 HB1 HIS 62 27.978 -6.681 35.648 456 HD2 HIS 62 HD2 HIS 62 26.892 -6.562 38.193 457 HE1 HIS 62 HE1 HIS 62 29.925 -8.686 40.221 458 HE2 HIS 62 HE2 HIS 62 27.651 -7.582 40.474 459 H HIS 63 HN HIS 63 28.526 -10.563 35.881 460 HA HIS 63 HA HIS 63 25.900 -10.368 34.765 461 HB2 HIS 63 HB2 HIS 63 27.653 -10.767 32.798 462 HB3 HIS 63 HB1 HIS 63 27.503 -12.439 33.340 463 HD2 HIS 63 HD2 HIS 63 25.569 -9.951 31.164 464 HE1 HIS 63 HE1 HIS 63 22.859 -13.056 32.077 465 HE2 HIS 63 HE2 HIS 63 23.247 -11.013 30.620 466 H HIS 64 HN HIS 64 26.828 -11.039 37.285 467 HA HIS 64 HA HIS 64 27.261 -13.725 37.850 468 HB2 HIS 64 HB2 HIS 64 27.218 -11.673 39.432 469 HB3 HIS 64 HB1 HIS 64 25.495 -12.018 39.584 470 HD2 HIS 64 HD2 HIS 64 25.366 -15.172 39.994 471 HE1 HIS 64 HE1 HIS 64 28.491 -14.766 42.803 472 HE2 HIS 64 HE2 HIS 64 26.654 -16.305 41.962 Start of MODEL 40 1 H1 MET 1 HT1 MET 1 72.199 20.469 -18.590 2 H2 MET 1 HT2 MET 1 73.519 20.569 -19.655 3 H3 MET 1 HT3 MET 1 71.978 21.074 -20.159 4 HA MET 1 HA MET 1 71.997 22.920 -18.680 5 HB2 MET 1 HB2 MET 1 74.011 23.313 -17.252 6 HB3 MET 1 HB1 MET 1 73.125 21.856 -16.797 7 HG2 MET 1 HG2 MET 1 75.025 21.163 -18.827 8 HG3 MET 1 HG1 MET 1 75.861 22.068 -17.564 9 HE1 MET 1 HE1 MET 1 76.409 19.136 -18.398 10 HE2 MET 1 HE2 MET 1 74.726 18.729 -18.728 11 HE3 MET 1 HE3 MET 1 75.610 17.849 -17.485 12 H GLU 2 HN GLU 2 72.103 23.306 -21.088 13 HA GLU 2 HA GLU 2 74.780 24.101 -22.013 14 HB2 GLU 2 HB2 GLU 2 72.211 24.035 -23.606 15 HB3 GLU 2 HB1 GLU 2 73.860 24.123 -24.226 16 HG2 GLU 2 HG2 GLU 2 74.299 21.889 -23.133 17 HG3 GLU 2 HG1 GLU 2 72.576 21.795 -22.777 18 H GLU 3 HN GLU 3 74.119 25.792 -20.113 19 HA GLU 3 HA GLU 3 72.424 27.927 -20.582 20 HB2 GLU 3 HB2 GLU 3 75.045 27.673 -19.143 21 HB3 GLU 3 HB1 GLU 3 74.283 29.255 -19.311 22 HG2 GLU 3 HG2 GLU 3 72.333 28.560 -18.145 23 HG3 GLU 3 HG1 GLU 3 72.764 26.857 -18.282 24 H GLY 4 HN GLY 4 72.721 30.010 -21.482 25 HA2 GLY 4 HA2 GLY 4 74.580 30.024 -23.769 26 HA3 GLY 4 HA1 GLY 4 73.134 31.017 -23.614 27 H GLY 5 HN GLY 5 74.408 31.161 -20.646 28 HA2 GLY 5 HA2 GLY 5 75.736 33.719 -21.200 29 HA3 GLY 5 HA1 GLY 5 75.153 33.170 -19.631 30 H ASP 6 HN ASP 6 77.882 33.779 -21.349 31 HA ASP 6 HA ASP 6 79.599 31.627 -20.808 32 HB2 ASP 6 HB2 ASP 6 79.848 34.067 -22.044 33 HB3 ASP 6 HB1 ASP 6 80.838 34.280 -20.601 34 H PHE 7 HN PHE 7 77.923 33.439 -18.623 35 HA PHE 7 HA PHE 7 79.820 32.751 -16.476 36 HB2 PHE 7 HB2 PHE 7 80.028 34.866 -15.713 37 HB3 PHE 7 HB1 PHE 7 79.477 35.350 -17.317 38 HD1 PHE 7 HD1 PHE 7 76.979 35.657 -17.714 39 HD2 PHE 7 HD2 PHE 7 78.692 35.260 -13.795 40 HE1 PHE 7 HE1 PHE 7 74.928 36.633 -16.718 41 HE2 PHE 7 HE2 PHE 7 76.641 36.235 -12.798 42 HZ PHE 7 HZ PHE 7 74.759 36.921 -14.260 43 H ASP 8 HN ASP 8 76.562 33.281 -17.594 44 HA ASP 8 HA ASP 8 75.026 33.186 -15.332 45 HB2 ASP 8 HB2 ASP 8 74.052 33.330 -17.562 46 HB3 ASP 8 HB1 ASP 8 74.562 31.679 -17.916 47 H ASN 9 HN ASN 9 74.595 31.763 -13.751 48 HA ASN 9 HA ASN 9 76.066 29.240 -13.736 49 HB2 ASN 9 HB2 ASN 9 75.376 29.116 -11.379 50 HB3 ASN 9 HB1 ASN 9 76.136 30.666 -11.737 51 HD21 ASN 9 HD21 ASN 9 74.316 30.339 -9.531 52 HD22 ASN 9 HD22 ASN 9 72.926 31.255 -9.860 53 H TYR 10 HN TYR 10 72.729 30.417 -13.610 54 HA TYR 10 HA TYR 10 71.790 27.862 -14.639 55 HB2 TYR 10 HB2 TYR 10 70.806 28.942 -11.987 56 HB3 TYR 10 HB1 TYR 10 70.122 27.564 -12.850 57 HD1 TYR 10 HD1 TYR 10 71.728 25.614 -13.432 58 HD2 TYR 10 HD2 TYR 10 72.608 28.635 -10.508 59 HE1 TYR 10 HE1 TYR 10 73.426 24.126 -12.408 60 HE2 TYR 10 HE2 TYR 10 74.307 27.147 -9.483 61 HH TYR 10 HH TYR 10 75.620 24.572 -10.952 62 H TYR 11 HN TYR 11 70.037 30.375 -12.860 63 HA TYR 11 HA TYR 11 68.508 31.954 -13.548 64 HB2 TYR 11 HB2 TYR 11 70.386 32.244 -15.386 65 HB3 TYR 11 HB1 TYR 11 69.171 31.503 -16.428 66 HD1 TYR 11 HD1 TYR 11 66.788 32.511 -16.381 67 HD2 TYR 11 HD2 TYR 11 70.257 34.533 -14.855 68 HE1 TYR 11 HE1 TYR 11 65.590 34.678 -16.530 69 HE2 TYR 11 HE2 TYR 11 69.059 36.699 -15.004 70 HH TYR 11 HH TYR 11 66.806 37.440 -16.699 71 H GLY 12 HN GLY 12 68.598 29.627 -16.256 72 HA2 GLY 12 HA2 GLY 12 65.726 29.459 -16.343 73 HA3 GLY 12 HA1 GLY 12 66.859 28.519 -17.310 74 H ALA 13 HN ALA 13 67.010 28.668 -13.813 75 HA ALA 13 HA ALA 13 66.995 25.839 -13.543 76 HB1 ALA 13 HB1 ALA 13 66.298 27.520 -11.195 77 HB2 ALA 13 HB2 ALA 13 67.856 27.833 -11.961 78 HB3 ALA 13 HB3 ALA 13 67.485 26.223 -11.343 79 H ASP 14 HN ASP 14 65.329 25.635 -11.194 80 HA ASP 14 HA ASP 14 63.223 24.803 -10.752 81 HB2 ASP 14 HB2 ASP 14 61.734 26.503 -10.504 82 HB3 ASP 14 HB1 ASP 14 63.121 27.500 -10.939 83 H ASN 15 HN ASN 15 64.459 24.428 -13.579 84 HA ASN 15 HA ASN 15 62.017 23.910 -15.118 85 HB2 ASN 15 HB2 ASN 15 64.117 25.013 -16.097 86 HB3 ASN 15 HB1 ASN 15 64.848 23.410 -16.026 87 HD21 ASN 15 HD21 ASN 15 61.564 24.592 -16.978 88 HD22 ASN 15 HD22 ASN 15 61.553 23.779 -18.468 89 H GLN 16 HN GLN 16 64.726 22.244 -13.600 90 HA GLN 16 HA GLN 16 63.518 19.647 -14.311 91 HB2 GLN 16 HB2 GLN 16 66.183 19.781 -13.007 92 HB3 GLN 16 HB1 GLN 16 65.612 18.728 -14.303 93 HG2 GLN 16 HG2 GLN 16 65.552 20.878 -15.746 94 HG3 GLN 16 HG1 GLN 16 66.568 21.582 -14.488 95 HE21 GLN 16 HE21 GLN 16 68.679 21.548 -15.288 96 HE22 GLN 16 HE22 GLN 16 69.412 20.203 -16.020 97 H SER 17 HN SER 17 62.305 21.219 -12.310 98 HA SER 17 HA SER 17 62.559 19.386 -10.048 99 HB2 SER 17 HB2 SER 17 63.826 21.880 -9.978 100 HB3 SER 17 HB1 SER 17 62.342 22.101 -9.057 101 HG SER 17 HG SER 17 63.080 19.887 -8.175 102 H GLU 18 HN GLU 18 60.921 20.581 -8.253 103 HA GLU 18 HA GLU 18 58.376 19.945 -8.971 104 HB2 GLU 18 HB2 GLU 18 57.753 21.910 -7.301 105 HB3 GLU 18 HB1 GLU 18 58.538 20.441 -6.725 106 HG2 GLU 18 HG2 GLU 18 60.606 21.474 -6.481 107 HG3 GLU 18 HG1 GLU 18 60.241 22.714 -7.680 108 H CYS 19 HN CYS 19 56.995 20.641 -10.461 109 HA CYS 19 HA CYS 19 56.731 23.473 -11.050 110 HB2 CYS 19 HB2 CYS 19 58.492 22.015 -12.614 111 HB3 CYS 19 HB1 CYS 19 56.998 21.985 -13.549 112 HG CYS 19 HG CYS 19 57.934 24.748 -12.487 113 H GLU 20 HN GLU 20 55.886 20.224 -12.265 114 HA GLU 20 HA GLU 20 53.045 20.930 -12.005 115 HB2 GLU 20 HB2 GLU 20 54.321 19.831 -14.522 116 HB3 GLU 20 HB1 GLU 20 52.583 19.953 -14.245 117 HG2 GLU 20 HG2 GLU 20 52.900 22.423 -13.853 118 HG3 GLU 20 HG1 GLU 20 54.575 22.232 -14.367 119 H TYR 21 HN TYR 21 54.827 19.226 -10.463 120 HA TYR 21 HA TYR 21 53.352 16.698 -10.781 121 HB2 TYR 21 HB2 TYR 21 56.323 16.842 -10.230 122 HB3 TYR 21 HB1 TYR 21 55.353 15.384 -10.441 123 HD1 TYR 21 HD2 TYR 21 54.423 14.794 -12.655 124 HD2 TYR 21 HD1 TYR 21 56.993 18.195 -12.123 125 HE1 TYR 21 HE2 TYR 21 54.776 14.911 -15.107 126 HE2 TYR 21 HE1 TYR 21 57.346 18.311 -14.575 127 HH TYR 21 HH TYR 21 57.163 17.027 -16.520 128 H THR 22 HN THR 22 53.192 19.045 -8.955 129 HA THR 22 HA THR 22 52.797 17.628 -6.525 130 HB THR 22 HB THR 22 55.357 17.922 -6.649 131 HG1 THR 22 HG1 THR 22 53.612 18.575 -4.579 132 HG21 THR 22 HG21 THR 22 55.000 20.379 -7.406 133 HG22 THR 22 HG22 THR 22 56.268 20.050 -6.225 134 HG23 THR 22 HG23 THR 22 54.719 20.707 -5.696 135 H ASP 23 HN ASP 23 53.235 20.681 -8.203 136 HA ASP 23 HA ASP 23 51.908 22.287 -6.233 137 HB2 ASP 23 HB2 ASP 23 51.766 23.927 -8.195 138 HB3 ASP 23 HB1 ASP 23 53.380 23.449 -7.673 139 H TRP 24 HN TRP 24 50.321 20.090 -6.611 140 HA TRP 24 HA TRP 24 47.831 21.308 -7.383 141 HB2 TRP 24 HB2 TRP 24 47.279 19.542 -9.087 142 HB3 TRP 24 HB1 TRP 24 48.520 20.683 -9.605 143 HD1 TRP 24 HD1 TRP 24 51.134 19.811 -9.197 144 HE1 TRP 24 HE1 TRP 24 52.094 17.440 -9.528 145 HE3 TRP 24 HE3 TRP 24 46.819 17.082 -9.056 146 HZ2 TRP 24 HZ2 TRP 24 51.156 14.745 -9.709 147 HZ3 TRP 24 HZ3 TRP 24 46.881 14.618 -9.310 148 HH2 TRP 24 HH2 TRP 24 49.042 13.447 -9.637 149 H LYS 25 HN LYS 25 49.185 18.006 -7.177 150 HA LYS 25 HA LYS 25 48.458 16.160 -6.004 151 HB2 LYS 25 HB2 LYS 25 48.143 18.347 -3.938 152 HB3 LYS 25 HB1 LYS 25 48.046 16.624 -3.573 153 HG2 LYS 25 HG2 LYS 25 50.416 17.533 -5.129 154 HG3 LYS 25 HG1 LYS 25 50.358 17.990 -3.427 155 HD2 LYS 25 HD2 LYS 25 50.175 15.701 -2.728 156 HD3 LYS 25 HD1 LYS 25 49.906 15.154 -4.384 157 HE2 LYS 25 HE2 LYS 25 52.133 15.423 -4.982 158 HE3 LYS 25 HE1 LYS 25 52.420 16.660 -3.758 159 HZ1 LYS 25 HZ1 LYS 25 51.654 14.145 -2.628 160 HZ2 LYS 25 HZ2 LYS 25 52.988 15.134 -2.267 161 HZ3 LYS 25 HZ3 LYS 25 53.072 14.024 -3.552 162 H SER 26 HN SER 26 46.577 16.123 -7.525 163 HA SER 26 HA SER 26 44.155 15.749 -6.057 164 HB2 SER 26 HB2 SER 26 43.177 17.749 -6.304 165 HB3 SER 26 HB1 SER 26 44.607 18.359 -7.132 166 HG SER 26 HG SER 26 42.627 16.770 -8.394 167 H SER 27 HN SER 27 43.174 14.086 -7.003 168 HA SER 27 HA SER 27 43.983 13.203 -9.630 169 HB2 SER 27 HB2 SER 27 42.645 12.068 -7.329 170 HB3 SER 27 HB1 SER 27 41.765 11.695 -8.808 171 HG SER 27 HG SER 27 44.434 11.474 -9.172 172 H GLY 28 HN GLY 28 41.008 14.458 -8.148 173 HA2 GLY 28 HA2 GLY 28 40.069 15.208 -10.839 174 HA3 GLY 28 HA1 GLY 28 38.997 14.311 -9.769 175 H ALA 29 HN ALA 29 40.940 16.241 -7.894 176 HA ALA 29 HA ALA 29 40.711 18.322 -6.910 177 HB1 ALA 29 HB1 ALA 29 39.897 18.886 -9.395 178 HB2 ALA 29 HB2 ALA 29 39.739 20.042 -8.072 179 HB3 ALA 29 HB3 ALA 29 38.352 19.069 -8.565 180 H LEU 30 HN LEU 30 39.506 16.020 -5.882 181 HA LEU 30 HA LEU 30 37.227 17.220 -4.465 182 HB2 LEU 30 HB2 LEU 30 36.033 15.015 -4.596 183 HB3 LEU 30 HB1 LEU 30 36.161 15.856 -6.141 184 HG LEU 30 HG LEU 30 38.504 14.240 -5.783 185 HD11 LEU 30 HD11 LEU 30 35.853 12.817 -5.400 186 HD12 LEU 30 HD12 LEU 30 37.201 12.856 -4.264 187 HD13 LEU 30 HD13 LEU 30 37.368 12.006 -5.800 188 HD21 LEU 30 HD21 LEU 30 36.131 13.903 -7.645 189 HD22 LEU 30 HD22 LEU 30 37.765 13.294 -7.906 190 HD23 LEU 30 HD23 LEU 30 37.459 15.030 -7.919 191 H ILE 31 HN ILE 31 40.177 16.321 -4.067 192 HA ILE 31 HA ILE 31 40.001 14.274 -2.054 193 HB ILE 31 HB ILE 31 42.361 16.100 -2.345 194 HG12 ILE 31 HG12 ILE 31 41.727 15.587 -4.647 195 HG13 ILE 31 HG11 ILE 31 43.137 14.625 -4.210 196 HG21 ILE 31 HG21 ILE 31 42.329 14.322 -0.618 197 HG22 ILE 31 HG22 ILE 31 43.569 14.030 -1.838 198 HG23 ILE 31 HG23 ILE 31 42.059 13.120 -1.880 199 HD11 ILE 31 HD11 ILE 31 41.577 13.175 -5.355 200 HD12 ILE 31 HD12 ILE 31 40.254 13.688 -4.311 201 HD13 ILE 31 HD13 ILE 31 41.574 12.722 -3.652 202 HA PRO 32 HA PRO 32 40.432 17.951 0.907 203 HB2 PRO 32 HB2 PRO 32 39.947 20.470 0.001 204 HB3 PRO 32 HB1 PRO 32 41.535 19.692 -0.120 205 HG2 PRO 32 HG2 PRO 32 39.565 20.262 -2.216 206 HG3 PRO 32 HG1 PRO 32 41.310 20.000 -2.342 207 HD2 PRO 32 HD2 PRO 32 39.216 18.120 -2.902 208 HD3 PRO 32 HD1 PRO 32 40.967 17.843 -2.973 209 H ALA 33 HN ALA 33 37.923 16.958 -0.792 210 HA ALA 33 HA ALA 33 35.902 18.610 0.593 211 HB1 ALA 33 HB1 ALA 33 35.485 16.713 -1.726 212 HB2 ALA 33 HB2 ALA 33 35.767 18.444 -1.908 213 HB3 ALA 33 HB3 ALA 33 34.324 17.869 -1.073 214 H ILE 34 HN ILE 34 37.202 15.403 0.207 215 HA ILE 34 HA ILE 34 35.177 14.344 2.089 216 HB ILE 34 HB ILE 34 36.610 12.197 0.995 217 HG12 ILE 34 HG12 ILE 34 35.767 14.161 -1.161 218 HG13 ILE 34 HG11 ILE 34 37.440 13.807 -0.726 219 HG21 ILE 34 HG21 ILE 34 33.910 13.343 0.218 220 HG22 ILE 34 HG22 ILE 34 34.208 12.271 1.585 221 HG23 ILE 34 HG23 ILE 34 34.443 11.686 -0.061 222 HD11 ILE 34 HD11 ILE 34 35.733 12.354 -2.502 223 HD12 ILE 34 HD12 ILE 34 36.105 11.317 -1.124 224 HD13 ILE 34 HD13 ILE 34 37.412 12.016 -2.082 225 H TYR 35 HN TYR 35 38.543 13.592 1.158 226 HA TYR 35 HA TYR 35 39.319 12.427 3.560 227 HB2 TYR 35 HB2 TYR 35 41.029 12.094 2.126 228 HB3 TYR 35 HB1 TYR 35 40.669 13.560 1.216 229 HD1 TYR 35 HD2 TYR 35 41.504 15.770 2.010 230 HD2 TYR 35 HD1 TYR 35 42.637 12.091 3.915 231 HE1 TYR 35 HE2 TYR 35 43.384 16.932 3.137 232 HE2 TYR 35 HE1 TYR 35 44.517 13.252 5.042 233 HH TYR 35 HH TYR 35 44.831 16.053 5.672 234 H MET 36 HN MET 36 38.520 15.666 2.947 235 HA MET 36 HA MET 36 40.078 16.658 5.237 236 HB2 MET 36 HB2 MET 36 40.220 18.031 3.248 237 HB3 MET 36 HB1 MET 36 38.463 18.103 3.126 238 HG2 MET 36 HG2 MET 36 38.272 19.412 5.104 239 HG3 MET 36 HG1 MET 36 39.934 19.078 5.579 240 HE1 MET 36 HE1 MET 36 41.806 19.436 4.256 241 HE2 MET 36 HE2 MET 36 42.197 21.082 3.765 242 HE3 MET 36 HE3 MET 36 41.678 19.910 2.557 243 H LEU 37 HN LEU 37 36.788 17.295 4.006 244 HA LEU 37 HA LEU 37 35.629 18.162 6.343 245 HB2 LEU 37 HB2 LEU 37 34.259 16.379 4.316 246 HB3 LEU 37 HB1 LEU 37 33.491 17.541 5.398 247 HG LEU 37 HG LEU 37 35.467 18.218 3.196 248 HD11 LEU 37 HD11 LEU 37 33.693 18.714 1.851 249 HD12 LEU 37 HD12 LEU 37 32.710 19.298 3.194 250 HD13 LEU 37 HD13 LEU 37 32.839 17.567 2.884 251 HD21 LEU 37 HD21 LEU 37 34.466 20.578 3.834 252 HD22 LEU 37 HD22 LEU 37 35.799 19.904 4.772 253 HD23 LEU 37 HD23 LEU 37 34.148 19.797 5.383 254 H VAL 38 HN VAL 38 35.904 14.801 5.206 255 HA VAL 38 HA VAL 38 34.518 13.479 7.190 256 HB VAL 38 HB VAL 38 37.076 12.687 5.784 257 HG11 VAL 38 HG11 VAL 38 35.368 11.274 7.801 258 HG12 VAL 38 HG12 VAL 38 37.118 11.223 7.584 259 HG13 VAL 38 HG13 VAL 38 36.066 10.336 6.482 260 HG21 VAL 38 HG21 VAL 38 34.689 13.081 4.658 261 HG22 VAL 38 HG22 VAL 38 34.380 11.473 5.312 262 HG23 VAL 38 HG23 VAL 38 35.709 11.725 4.179 263 H PHE 39 HN PHE 39 37.685 14.975 7.348 264 HA PHE 39 HA PHE 39 38.524 13.805 9.800 265 HB2 PHE 39 HB2 PHE 39 39.808 15.245 7.958 266 HB3 PHE 39 HB1 PHE 39 39.411 16.555 9.069 267 HD1 PHE 39 HD1 PHE 39 39.831 15.997 11.637 268 HD2 PHE 39 HD2 PHE 39 41.764 14.025 8.346 269 HE1 PHE 39 HE1 PHE 39 41.670 15.289 13.142 270 HE2 PHE 39 HE2 PHE 39 43.603 13.317 9.851 271 HZ PHE 39 HZ PHE 39 43.557 13.950 12.248 272 H LEU 40 HN LEU 40 36.844 16.830 9.002 273 HA LEU 40 HA LEU 40 36.548 17.472 11.840 274 HB2 LEU 40 HB2 LEU 40 35.341 19.041 9.576 275 HB3 LEU 40 HB1 LEU 40 35.875 19.610 11.158 276 HG LEU 40 HG LEU 40 37.651 18.641 8.898 277 HD11 LEU 40 HD11 LEU 40 38.183 21.268 10.016 278 HD12 LEU 40 HD12 LEU 40 36.524 21.157 9.429 279 HD13 LEU 40 HD13 LEU 40 37.870 20.814 8.341 280 HD21 LEU 40 HD21 LEU 40 38.191 19.326 11.787 281 HD22 LEU 40 HD22 LEU 40 39.445 19.524 10.562 282 HD23 LEU 40 HD23 LEU 40 38.749 17.931 10.864 283 H LEU 41 HN LEU 41 35.137 15.236 10.197 284 HA LEU 41 HA LEU 41 32.562 15.586 11.510 285 HB2 LEU 41 HB2 LEU 41 32.927 16.037 8.665 286 HB3 LEU 41 HB1 LEU 41 31.804 14.713 8.964 287 HG LEU 41 HG LEU 41 31.615 17.396 10.357 288 HD11 LEU 41 HD11 LEU 41 29.880 17.983 8.772 289 HD12 LEU 41 HD12 LEU 41 30.000 16.408 7.989 290 HD13 LEU 41 HD13 LEU 41 31.329 17.559 7.861 291 HD21 LEU 41 HD21 LEU 41 30.422 14.895 10.846 292 HD22 LEU 41 HD22 LEU 41 29.182 15.842 10.024 293 HD23 LEU 41 HD23 LEU 41 29.917 16.449 11.507 294 H GLY 42 HN GLY 42 35.074 13.763 11.221 295 HA2 GLY 42 HA2 GLY 42 33.536 11.247 11.289 296 HA3 GLY 42 HA1 GLY 42 34.995 11.348 10.308 297 H THR 43 HN THR 43 34.895 13.149 13.253 298 HA THR 43 HA THR 43 35.829 11.207 15.072 299 HB THR 43 HB THR 43 37.914 12.623 13.439 300 HG1 THR 43 HG1 THR 43 38.583 10.626 13.145 301 HG21 THR 43 HG21 THR 43 38.032 11.854 16.346 302 HG22 THR 43 HG22 THR 43 38.613 13.326 15.568 303 HG23 THR 43 HG23 THR 43 39.485 11.809 15.347 304 H THR 44 HN THR 44 36.766 14.539 14.178 305 HA THR 44 HA THR 44 36.924 15.574 16.759 306 HB THR 44 HB THR 44 36.345 16.803 14.080 307 HG1 THR 44 HG1 THR 44 38.475 16.105 15.006 308 HG21 THR 44 HG21 THR 44 36.670 19.020 15.405 309 HG22 THR 44 HG22 THR 44 36.146 18.076 16.799 310 HG23 THR 44 HG23 THR 44 35.076 18.264 15.409 311 H GLY 45 HN GLY 45 34.134 15.022 14.705 312 HA2 GLY 45 HA2 GLY 45 32.178 16.579 15.839 313 HA3 GLY 45 HA1 GLY 45 31.887 14.950 15.236 314 H ASN 46 HN ASN 46 32.817 13.209 16.845 315 HA ASN 46 HA ASN 46 32.206 12.115 18.791 316 HB2 ASN 46 HB2 ASN 46 34.212 14.084 19.220 317 HB3 ASN 46 HB1 ASN 46 33.184 14.047 20.651 318 HD21 ASN 46 HD21 ASN 46 34.605 11.614 18.379 319 HD22 ASN 46 HD22 ASN 46 35.090 10.548 19.608 320 H GLY 47 HN GLY 47 29.987 12.134 18.898 321 HA2 GLY 47 HA2 GLY 47 28.475 12.811 20.879 322 HA3 GLY 47 HA1 GLY 47 28.691 14.430 20.220 323 H LEU 48 HN LEU 48 28.813 12.856 17.501 324 HA LEU 48 HA LEU 48 25.994 13.242 16.914 325 HB2 LEU 48 HB2 LEU 48 28.448 12.667 15.272 326 HB3 LEU 48 HB1 LEU 48 26.844 12.502 14.566 327 HG LEU 48 HG LEU 48 27.908 14.776 14.237 328 HD11 LEU 48 HD11 LEU 48 25.816 15.612 14.114 329 HD12 LEU 48 HD12 LEU 48 25.620 15.542 15.863 330 HD13 LEU 48 HD13 LEU 48 25.253 14.127 14.880 331 HD21 LEU 48 HD21 LEU 48 28.922 14.718 16.590 332 HD22 LEU 48 HD22 LEU 48 27.319 15.162 17.177 333 HD23 LEU 48 HD23 LEU 48 28.192 16.244 16.093 334 H VAL 49 HN VAL 49 27.885 10.720 18.030 335 HA VAL 49 HA VAL 49 26.248 8.646 16.731 336 HB VAL 49 HB VAL 49 27.898 7.076 17.777 337 HG11 VAL 49 HG11 VAL 49 28.434 9.115 15.719 338 HG12 VAL 49 HG12 VAL 49 28.642 7.364 15.650 339 HG13 VAL 49 HG13 VAL 49 29.887 8.372 16.388 340 HG21 VAL 49 HG21 VAL 49 29.944 9.058 18.248 341 HG22 VAL 49 HG22 VAL 49 29.335 7.821 19.347 342 HG23 VAL 49 HG23 VAL 49 28.545 9.396 19.267 343 H LEU 50 HN LEU 50 26.187 10.541 19.442 344 HA LEU 50 HA LEU 50 24.541 8.561 20.880 345 HB2 LEU 50 HB2 LEU 50 25.490 9.280 23.016 346 HB3 LEU 50 HB1 LEU 50 26.763 8.658 21.964 347 HG LEU 50 HG LEU 50 26.667 11.339 21.286 348 HD11 LEU 50 HD11 LEU 50 26.342 11.061 24.291 349 HD12 LEU 50 HD12 LEU 50 25.159 11.779 23.197 350 HD13 LEU 50 HD13 LEU 50 26.727 12.552 23.432 351 HD21 LEU 50 HD21 LEU 50 28.753 11.445 22.769 352 HD22 LEU 50 HD22 LEU 50 28.735 10.169 21.551 353 HD23 LEU 50 HD23 LEU 50 28.383 9.785 23.236 354 H TRP 51 HN TRP 51 24.646 11.451 19.361 355 HA TRP 51 HA TRP 51 23.058 13.003 21.230 356 HB2 TRP 51 HB2 TRP 51 24.393 14.405 19.949 357 HB3 TRP 51 HB1 TRP 51 24.169 13.449 18.483 358 HD1 TRP 51 HD1 TRP 51 21.829 15.400 20.885 359 HE1 TRP 51 HE1 TRP 51 20.126 16.700 19.451 360 HE3 TRP 51 HE3 TRP 51 23.331 13.972 16.218 361 HZ2 TRP 51 HZ2 TRP 51 19.485 17.085 16.691 362 HZ3 TRP 51 HZ3 TRP 51 22.158 14.820 14.206 363 HH2 TRP 51 HH2 TRP 51 20.238 16.372 14.437 364 H THR 52 HN THR 52 22.410 12.309 17.805 365 HA THR 52 HA THR 52 19.682 12.617 17.836 366 HB THR 52 HB THR 52 20.412 12.286 15.692 367 HG1 THR 52 HG1 THR 52 18.760 10.693 16.205 368 HG21 THR 52 HG21 THR 52 22.289 10.314 16.960 369 HG22 THR 52 HG22 THR 52 22.662 11.732 15.980 370 HG23 THR 52 HG23 THR 52 22.024 10.275 15.217 371 H VAL 53 HN VAL 53 21.496 9.626 18.485 372 HA VAL 53 HA VAL 53 19.350 7.893 18.865 373 HB VAL 53 HB VAL 53 22.045 7.950 20.240 374 HG11 VAL 53 HG11 VAL 53 19.726 6.076 20.383 375 HG12 VAL 53 HG12 VAL 53 20.922 6.477 21.615 376 HG13 VAL 53 HG13 VAL 53 21.339 5.368 20.309 377 HG21 VAL 53 HG21 VAL 53 21.463 7.578 17.588 378 HG22 VAL 53 HG22 VAL 53 21.379 5.924 18.194 379 HG23 VAL 53 HG23 VAL 53 22.855 6.866 18.405 380 H PHE 54 HN PHE 54 20.469 10.497 20.837 381 HA PHE 54 HA PHE 54 19.125 9.566 23.241 382 HB2 PHE 54 HB2 PHE 54 21.196 11.383 22.694 383 HB3 PHE 54 HB1 PHE 54 19.854 12.363 23.286 384 HD1 PHE 54 HD2 PHE 54 18.732 11.722 25.471 385 HD2 PHE 54 HD1 PHE 54 22.434 9.983 24.161 386 HE1 PHE 54 HE2 PHE 54 19.189 10.954 27.784 387 HE2 PHE 54 HE1 PHE 54 22.892 9.216 26.474 388 HZ PHE 54 HZ PHE 54 21.270 9.702 28.286 389 H ARG 55 HN ARG 55 17.724 10.236 20.598 390 HA ARG 55 HA ARG 55 15.623 11.909 21.816 391 HB2 ARG 55 HB2 ARG 55 16.889 12.248 19.100 392 HB3 ARG 55 HB1 ARG 55 15.286 12.881 19.473 393 HG2 ARG 55 HG2 ARG 55 16.117 14.561 20.753 394 HG3 ARG 55 HG1 ARG 55 17.316 13.510 21.510 395 HD2 ARG 55 HD2 ARG 55 18.837 13.763 19.703 396 HD3 ARG 55 HD1 ARG 55 17.597 14.440 18.651 397 HE ARG 55 HE ARG 55 17.974 16.515 19.627 398 HH11 ARG 55 HH21 ARG 55 19.352 13.969 21.523 399 HH12 ARG 55 HH22 ARG 55 20.186 15.037 22.602 400 HH21 ARG 55 HH11 ARG 55 19.065 17.922 21.039 401 HH22 ARG 55 HH12 ARG 55 20.023 17.274 22.329 402 H LYS 56 HN LYS 56 16.575 9.424 19.533 403 HA LYS 56 HA LYS 56 13.751 8.749 19.046 404 HB2 LYS 56 HB2 LYS 56 14.677 7.260 17.270 405 HB3 LYS 56 HB1 LYS 56 15.083 8.957 17.035 406 HG2 LYS 56 HG2 LYS 56 17.094 7.838 18.678 407 HG3 LYS 56 HG1 LYS 56 16.855 6.728 17.329 408 HD2 LYS 56 HD2 LYS 56 17.298 9.718 17.059 409 HD3 LYS 56 HD1 LYS 56 18.530 8.486 16.784 410 HE2 LYS 56 HE2 LYS 56 16.266 7.704 15.273 411 HE3 LYS 56 HE1 LYS 56 16.500 9.426 14.972 412 HZ1 LYS 56 HZ1 LYS 56 18.381 7.200 14.512 413 HZ2 LYS 56 HZ2 LYS 56 18.946 8.792 14.690 414 HZ3 LYS 56 HZ3 LYS 56 17.874 8.404 13.432 415 H LYS 57 HN LYS 57 15.775 8.126 21.397 416 HA LYS 57 HA LYS 57 16.102 5.340 21.519 417 HB2 LYS 57 HB2 LYS 57 17.238 6.991 23.008 418 HB3 LYS 57 HB1 LYS 57 15.702 7.260 23.825 419 HG2 LYS 57 HG2 LYS 57 17.023 5.648 25.095 420 HG3 LYS 57 HG1 LYS 57 15.615 4.842 24.410 421 HD2 LYS 57 HD2 LYS 57 16.871 3.580 22.962 422 HD3 LYS 57 HD1 LYS 57 18.081 4.843 22.741 423 HE2 LYS 57 HE2 LYS 57 17.798 3.383 25.366 424 HE3 LYS 57 HE1 LYS 57 18.797 2.745 24.060 425 HZ1 LYS 57 HZ1 LYS 57 19.086 5.360 25.429 426 HZ2 LYS 57 HZ2 LYS 57 19.939 4.935 24.022 427 HZ3 LYS 57 HZ3 LYS 57 20.173 4.059 25.459 428 H GLY 58 HN GLY 58 13.457 7.441 22.587 429 HA2 GLY 58 HA2 GLY 58 11.254 6.978 23.073 430 HA3 GLY 58 HA1 GLY 58 11.480 5.438 22.249 431 H HIS 59 HN HIS 59 13.410 6.464 24.995 432 HA HIS 59 HA HIS 59 13.603 5.655 27.137 433 HB2 HIS 59 HB2 HIS 59 10.897 4.389 26.993 434 HB3 HIS 59 HB1 HIS 59 11.666 5.243 28.331 435 HD2 HIS 59 HD2 HIS 59 12.353 7.999 26.418 436 HE1 HIS 59 HE1 HIS 59 8.140 8.231 26.245 437 HE2 HIS 59 HE2 HIS 59 10.298 9.524 25.893 438 H HIS 60 HN HIS 60 12.501 3.272 28.236 439 HA HIS 60 HA HIS 60 14.351 1.358 27.656 440 HB2 HIS 60 HB2 HIS 60 12.314 1.423 29.366 441 HB3 HIS 60 HB1 HIS 60 11.571 0.391 28.144 442 HD2 HIS 60 HD2 HIS 60 12.432 -2.248 28.227 443 HE1 HIS 60 HE1 HIS 60 15.745 -1.687 30.782 444 HE2 HIS 60 HE2 HIS 60 14.342 -3.420 29.568 445 H HIS 61 HN HIS 61 14.930 0.586 25.729 446 HA HIS 61 HA HIS 61 13.235 0.501 23.454 447 HB2 HIS 61 HB2 HIS 61 15.716 0.624 23.343 448 HB3 HIS 61 HB1 HIS 61 15.799 -1.033 23.940 449 HD2 HIS 61 HD2 HIS 61 13.284 0.194 21.123 450 HE1 HIS 61 HE1 HIS 61 15.823 -2.763 19.501 451 HE2 HIS 61 HE2 HIS 61 13.812 -1.283 19.036 452 H HIS 62 HN HIS 62 11.485 -0.766 23.371 453 HA HIS 62 HA HIS 62 11.213 -3.208 24.817 454 HB2 HIS 62 HB2 HIS 62 9.069 -3.352 23.867 455 HB3 HIS 62 HB1 HIS 62 9.367 -1.617 23.955 456 HD2 HIS 62 HD2 HIS 62 11.108 -1.181 21.221 457 HE1 HIS 62 HE1 HIS 62 7.921 -3.129 19.254 458 HE2 HIS 62 HE2 HIS 62 9.954 -1.643 18.925 459 H HIS 63 HN HIS 63 10.896 -5.334 23.888 460 HA HIS 63 HA HIS 63 11.845 -5.855 21.205 461 HB2 HIS 63 HB2 HIS 63 13.897 -5.575 22.791 462 HB3 HIS 63 HB1 HIS 63 13.424 -7.162 23.401 463 HD2 HIS 63 HD2 HIS 63 13.986 -5.724 19.709 464 HE1 HIS 63 HE1 HIS 63 15.495 -9.660 19.939 465 HE2 HIS 63 HE2 HIS 63 15.179 -7.652 18.416 466 H HIS 64 HN HIS 64 9.402 -6.423 21.969 467 HA HIS 64 HA HIS 64 8.780 -8.690 23.406 468 HB2 HIS 64 HB2 HIS 64 7.536 -7.772 20.802 469 HB3 HIS 64 HB1 HIS 64 6.805 -8.907 21.939 470 HD2 HIS 64 HD2 HIS 64 5.557 -7.713 24.143 471 HE1 HIS 64 HE1 HIS 64 6.731 -3.742 23.322 472 HE2 HIS 64 HE2 HIS 64 5.290 -5.205 24.815
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