NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
4611 | 1fex | 4639 | cing | recoord | dress | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 HT1 GLY 1 46.480 8.665 17.321 2 2H GLY 1 HT2 GLY 1 47.058 9.053 15.771 3 3H GLY 1 HT3 GLY 1 48.116 8.432 16.945 4 1HA GLY 1 HA1 GLY 1 45.997 6.620 16.672 5 2HA GLY 1 HA2 GLY 1 47.703 6.367 16.312 6 H ARG 2 HN ARG 2 47.499 5.270 14.357 7 HA ARG 2 HA ARG 2 46.425 6.863 12.070 8 1HB ARG 2 HB1 ARG 2 47.839 5.034 10.850 9 2HB ARG 2 HB2 ARG 2 48.479 4.690 12.457 10 1HG ARG 2 HG1 ARG 2 49.001 7.172 12.650 11 2HG ARG 2 HG2 ARG 2 48.605 7.308 10.938 12 1HD ARG 2 HD1 ARG 2 50.328 5.187 10.882 13 2HD ARG 2 HD2 ARG 2 50.996 6.126 12.232 14 HE ARG 2 HE ARG 2 50.899 6.965 9.422 15 1HH1 ARG 2 HH11 ARG 2 49.740 9.347 10.198 16 2HH1 ARG 2 HH12 ARG 2 50.975 10.274 10.982 17 1HH2 ARG 2 HH21 ARG 2 53.049 7.549 11.522 18 2HH2 ARG 2 HH22 ARG 2 52.847 9.257 11.730 19 H ILE 3 HN ILE 3 44.263 5.952 13.177 20 HA ILE 3 HA ILE 3 42.445 4.462 13.119 21 HB ILE 3 HB ILE 3 42.906 5.501 10.774 22 1HG1 ILE 3 HG11 ILE 3 40.826 4.146 11.810 23 2HG1 ILE 3 HG12 ILE 3 41.221 3.075 10.465 24 1HG2 ILE 3 HG21 ILE 3 44.541 4.160 9.763 25 2HG2 ILE 3 HG22 ILE 3 43.048 3.584 9.032 26 3HG2 ILE 3 HG23 ILE 3 43.807 2.656 10.319 27 1HD1 ILE 3 HD11 ILE 3 41.234 5.156 8.988 28 2HD1 ILE 3 HD12 ILE 3 40.516 6.016 10.350 29 3HD1 ILE 3 HD13 ILE 3 39.656 4.670 9.606 30 H ALA 4 HN ALA 4 41.957 2.008 11.976 31 HA ALA 4 HA ALA 4 44.193 0.232 12.871 32 1HB ALA 4 HB1 ALA 4 41.301 0.347 13.732 33 2HB ALA 4 HB2 ALA 4 42.744 0.332 14.746 34 3HB ALA 4 HB3 ALA 4 42.241 -1.134 13.905 35 H PHE 5 HN PHE 5 44.058 -1.938 11.929 36 HA PHE 5 HA PHE 5 42.353 -2.061 9.461 37 1HB PHE 5 HB1 PHE 5 44.308 -3.538 8.669 38 2HB PHE 5 HB2 PHE 5 45.179 -2.943 10.083 39 HD1 PHE 5 HD1 PHE 5 43.047 -1.588 7.301 40 HD2 PHE 5 HD2 PHE 5 46.501 -1.053 9.798 41 HE1 PHE 5 HE1 PHE 5 43.605 0.497 6.081 42 HE2 PHE 5 HE2 PHE 5 47.061 1.033 8.576 43 HZ PHE 5 HZ PHE 5 45.613 1.807 6.718 44 H THR 6 HN THR 6 41.172 -3.950 9.155 45 HA THR 6 HA THR 6 41.366 -6.025 11.313 46 HB THR 6 HB THR 6 38.978 -6.390 10.839 47 HG1 THR 6 HG1 THR 6 39.208 -4.276 8.973 48 1HG2 THR 6 HG21 THR 6 40.103 -3.933 11.817 49 2HG2 THR 6 HG22 THR 6 38.599 -4.720 12.295 50 3HG2 THR 6 HG23 THR 6 38.605 -3.572 10.957 51 H ASP 7 HN ASP 7 39.913 -8.039 10.075 52 HA ASP 7 HA ASP 7 41.877 -9.204 8.283 53 1HB ASP 7 HB1 ASP 7 39.881 -10.916 8.123 54 2HB ASP 7 HB2 ASP 7 39.178 -9.920 9.398 55 H ALA 8 HN ALA 8 38.763 -7.578 7.839 56 HA ALA 8 HA ALA 8 38.403 -8.289 5.053 57 1HB ALA 8 HB1 ALA 8 36.463 -7.552 6.110 58 2HB ALA 8 HB2 ALA 8 36.960 -6.064 5.302 59 3HB ALA 8 HB3 ALA 8 37.312 -6.299 7.014 60 H ASP 9 HN ASP 9 39.944 -5.569 6.740 61 HA ASP 9 HA ASP 9 40.475 -3.929 4.444 62 1HB ASP 9 HB1 ASP 9 42.261 -3.009 6.027 63 2HB ASP 9 HB2 ASP 9 41.782 -4.277 7.158 64 H ASP 10 HN ASP 10 42.314 -6.547 5.998 65 HA ASP 10 HA ASP 10 44.717 -6.297 4.451 66 1HB ASP 10 HB1 ASP 10 44.904 -8.774 5.159 67 2HB ASP 10 HB2 ASP 10 43.336 -8.548 5.932 68 H VAL 11 HN VAL 11 41.667 -8.026 3.868 69 HA VAL 11 HA VAL 11 42.638 -9.357 1.447 70 HB VAL 11 HB VAL 11 39.857 -8.920 2.599 71 1HG1 VAL 11 HG11 VAL 11 39.247 -10.870 1.194 72 2HG1 VAL 11 HG12 VAL 11 40.877 -10.886 0.522 73 3HG1 VAL 11 HG13 VAL 11 39.807 -9.519 0.210 74 1HG2 VAL 11 HG21 VAL 11 41.407 -10.136 4.110 75 2HG2 VAL 11 HG22 VAL 11 41.764 -11.275 2.812 76 3HG2 VAL 11 HG23 VAL 11 40.139 -11.198 3.498 77 H ALA 12 HN ALA 12 40.841 -6.405 2.229 78 HA ALA 12 HA ALA 12 40.082 -5.833 -0.533 79 1HB ALA 12 HB1 ALA 12 39.487 -3.611 0.541 80 2HB ALA 12 HB2 ALA 12 40.153 -4.242 2.048 81 3HB ALA 12 HB3 ALA 12 38.749 -5.015 1.312 82 H ILE 13 HN ILE 13 42.531 -4.539 1.731 83 HA ILE 13 HA ILE 13 43.709 -2.665 -0.101 84 HB ILE 13 HB ILE 13 44.848 -4.152 2.298 85 1HG1 ILE 13 HG11 ILE 13 42.708 -2.763 2.581 86 2HG1 ILE 13 HG12 ILE 13 43.692 -1.355 2.183 87 1HG2 ILE 13 HG21 ILE 13 46.784 -3.162 1.630 88 2HG2 ILE 13 HG22 ILE 13 46.045 -1.664 2.196 89 3HG2 ILE 13 HG23 ILE 13 45.955 -2.102 0.490 90 1HD1 ILE 13 HD11 ILE 13 44.242 -3.301 4.446 91 2HD1 ILE 13 HD12 ILE 13 43.546 -1.691 4.632 92 3HD1 ILE 13 HD13 ILE 13 45.203 -1.874 4.059 93 H LEU 14 HN LEU 14 44.438 -6.061 0.664 94 HA LEU 14 HA LEU 14 46.795 -6.274 -0.991 95 1HB LEU 14 HB1 LEU 14 44.780 -8.304 0.035 96 2HB LEU 14 HB2 LEU 14 46.269 -7.815 0.840 97 HG LEU 14 HG LEU 14 46.132 -9.162 -1.875 98 1HD1 LEU 14 HD11 LEU 14 48.631 -9.504 -1.275 99 2HD1 LEU 14 HD12 LEU 14 48.376 -8.224 -0.088 100 3HD1 LEU 14 HD13 LEU 14 48.130 -7.897 -1.804 101 1HD2 LEU 14 HD21 LEU 14 45.530 -10.446 0.371 102 2HD2 LEU 14 HD22 LEU 14 47.281 -10.443 0.579 103 3HD2 LEU 14 HD23 LEU 14 46.564 -11.198 -0.844 104 H THR 15 HN THR 15 43.522 -7.643 -1.539 105 HA THR 15 HA THR 15 43.774 -8.467 -4.198 106 HB THR 15 HB THR 15 41.404 -7.139 -2.838 107 HG1 THR 15 HG1 THR 15 40.999 -9.120 -2.030 108 1HG2 THR 15 HG21 THR 15 40.526 -9.207 -4.496 109 2HG2 THR 15 HG22 THR 15 41.748 -8.378 -5.459 110 3HG2 THR 15 HG23 THR 15 40.373 -7.480 -4.816 111 H TYR 16 HN TYR 16 43.183 -5.166 -3.018 112 HA TYR 16 HA TYR 16 42.730 -4.051 -5.682 113 1HB TYR 16 HB1 TYR 16 43.446 -2.700 -3.061 114 2HB TYR 16 HB2 TYR 16 41.809 -3.181 -3.508 115 HD1 TYR 16 HD1 TYR 16 40.517 -1.899 -5.066 116 HD2 TYR 16 HD2 TYR 16 44.674 -1.015 -4.449 117 HE1 TYR 16 HE1 TYR 16 40.263 0.200 -6.364 118 HE2 TYR 16 HE2 TYR 16 44.420 1.085 -5.745 119 HH TYR 16 HH TYR 16 42.156 1.713 -7.793 120 H VAL 17 HN VAL 17 45.401 -3.811 -3.299 121 HA VAL 17 HA VAL 17 47.182 -2.334 -4.994 122 HB VAL 17 HB VAL 17 47.601 -4.174 -2.614 123 1HG1 VAL 17 HG11 VAL 17 49.775 -2.933 -2.351 124 2HG1 VAL 17 HG12 VAL 17 49.522 -2.254 -3.958 125 3HG1 VAL 17 HG13 VAL 17 49.730 -3.993 -3.760 126 1HG2 VAL 17 HG21 VAL 17 46.222 -1.919 -2.595 127 2HG2 VAL 17 HG22 VAL 17 47.827 -1.187 -2.587 128 3HG2 VAL 17 HG23 VAL 17 47.351 -2.283 -1.290 129 H LYS 18 HN LYS 18 46.690 -5.831 -4.534 130 HA LYS 18 HA LYS 18 48.978 -6.651 -6.111 131 1HB LYS 18 HB1 LYS 18 46.597 -8.412 -5.899 132 2HB LYS 18 HB2 LYS 18 47.254 -7.829 -4.370 133 1HG LYS 18 HG1 LYS 18 49.552 -8.526 -5.608 134 2HG LYS 18 HG2 LYS 18 48.450 -9.671 -6.373 135 1HD LYS 18 HD1 LYS 18 47.703 -10.444 -4.156 136 2HD LYS 18 HD2 LYS 18 48.772 -9.276 -3.380 137 1HE LYS 18 HE1 LYS 18 50.582 -10.514 -4.951 138 2HE LYS 18 HE2 LYS 18 49.437 -11.852 -4.732 139 1HZ LYS 18 HZ1 LYS 18 51.049 -11.755 -2.913 140 2HZ LYS 18 HZ2 LYS 18 49.484 -11.423 -2.343 141 3HZ LYS 18 HZ3 LYS 18 50.596 -10.157 -2.569 142 H GLU 19 HN GLU 19 45.667 -5.753 -6.898 143 HA GLU 19 HA GLU 19 45.702 -6.930 -9.577 144 1HB GLU 19 HB1 GLU 19 43.680 -5.069 -9.520 145 2HB GLU 19 HB2 GLU 19 43.906 -5.398 -7.802 146 1HG GLU 19 HG1 GLU 19 43.534 -7.753 -8.125 147 2HG GLU 19 HG2 GLU 19 43.605 -7.583 -9.879 148 H ASN 20 HN ASN 20 45.960 -3.589 -8.287 149 HA ASN 20 HA ASN 20 46.723 -2.609 -11.001 150 1HB ASN 20 HB1 ASN 20 46.282 -0.428 -10.093 151 2HB ASN 20 HB2 ASN 20 46.359 -1.030 -8.445 152 1HD2 ASN 20 HD21 ASN 20 44.204 -0.254 -7.972 153 2HD2 ASN 20 HD22 ASN 20 42.828 -1.023 -8.602 154 H ALA 21 HN ALA 21 47.857 -2.070 -7.650 155 HA ALA 21 HA ALA 21 50.415 -1.033 -8.339 156 1HB ALA 21 HB1 ALA 21 50.138 -0.644 -6.129 157 2HB ALA 21 HB2 ALA 21 50.652 -2.308 -5.851 158 3HB ALA 21 HB3 ALA 21 48.937 -1.925 -5.992 159 H ARG 22 HN ARG 22 51.402 -2.370 -9.928 160 HA ARG 22 HA ARG 22 52.636 -4.859 -8.839 161 1HB ARG 22 HB1 ARG 22 51.973 -5.176 -11.636 162 2HB ARG 22 HB2 ARG 22 50.521 -4.711 -10.752 163 1HG ARG 22 HG1 ARG 22 50.637 -7.108 -10.673 164 2HG ARG 22 HG2 ARG 22 51.101 -6.530 -9.073 165 1HD ARG 22 HD1 ARG 22 53.545 -6.578 -10.183 166 2HD ARG 22 HD2 ARG 22 52.775 -7.827 -11.184 167 HE ARG 22 HE ARG 22 52.702 -7.889 -8.181 168 1HH1 ARG 22 HH11 ARG 22 54.566 -9.659 -8.165 169 2HH1 ARG 22 HH12 ARG 22 54.037 -11.128 -8.913 170 1HH2 ARG 22 HH21 ARG 22 51.330 -9.655 -10.501 171 2HH2 ARG 22 HH22 ARG 22 52.206 -11.126 -10.237 172 H SER 23 HN SER 23 53.529 -2.044 -9.419 173 HA SER 23 HA SER 23 55.963 -2.720 -10.934 174 1HB SER 23 HB1 SER 23 53.944 -2.056 -12.470 175 2HB SER 23 HB2 SER 23 55.511 -1.319 -12.777 176 HG SER 23 HG SER 23 53.537 -0.156 -11.117 177 HA PRO 24 HA PRO 24 57.522 0.532 -8.385 178 1HB PRO 24 HB1 PRO 24 59.624 0.126 -9.261 179 2HB PRO 24 HB2 PRO 24 59.416 1.758 -9.925 180 1HG PRO 24 HG1 PRO 24 59.865 -0.449 -11.446 181 2HG PRO 24 HG2 PRO 24 58.986 0.975 -12.018 182 1HD PRO 24 HD1 PRO 24 57.990 -1.712 -11.417 183 2HD PRO 24 HD2 PRO 24 57.217 -0.399 -12.329 184 H SER 25 HN SER 25 55.156 1.484 -9.032 185 HA SER 25 HA SER 25 55.584 4.355 -9.534 186 1HB SER 25 HB1 SER 25 53.512 3.730 -11.315 187 2HB SER 25 HB2 SER 25 54.699 2.454 -11.562 188 HG SER 25 HG SER 25 54.818 4.880 -12.491 189 H SER 26 HN SER 26 52.924 1.934 -9.555 190 HA SER 26 HA SER 26 50.990 3.650 -8.304 191 1HB SER 26 HB1 SER 26 49.977 1.282 -7.799 192 2HB SER 26 HB2 SER 26 51.338 0.693 -8.751 193 HG SER 26 HG SER 26 50.040 1.105 -10.352 194 H VAL 27 HN VAL 27 53.426 1.447 -6.989 195 HA VAL 27 HA VAL 27 52.406 1.846 -4.227 196 HB VAL 27 HB VAL 27 54.094 0.103 -3.704 197 1HG1 VAL 27 HG11 VAL 27 52.108 -0.292 -5.926 198 2HG1 VAL 27 HG12 VAL 27 52.032 -0.849 -4.255 199 3HG1 VAL 27 HG13 VAL 27 53.117 -1.639 -5.400 200 1HG2 VAL 27 HG21 VAL 27 54.643 -0.108 -6.661 201 2HG2 VAL 27 HG22 VAL 27 55.562 -0.785 -5.316 202 3HG2 VAL 27 HG23 VAL 27 55.622 0.948 -5.642 203 H THR 28 HN THR 28 54.841 3.131 -6.337 204 HA THR 28 HA THR 28 56.639 4.002 -4.174 205 HB THR 28 HB THR 28 56.641 4.914 -7.051 206 HG1 THR 28 HG1 THR 28 57.736 3.002 -7.535 207 1HG2 THR 28 HG21 THR 28 59.056 4.943 -6.713 208 2HG2 THR 28 HG22 THR 28 58.866 4.232 -5.110 209 3HG2 THR 28 HG23 THR 28 58.275 5.863 -5.427 210 H GLY 29 HN GLY 29 54.160 5.419 -6.286 211 1HA GLY 29 HA1 GLY 29 53.608 7.775 -6.453 212 2HA GLY 29 HA2 GLY 29 54.574 8.073 -5.009 213 H ASN 30 HN ASN 30 51.844 8.934 -5.425 214 HA ASN 30 HA ASN 30 50.413 7.302 -3.351 215 1HB ASN 30 HB1 ASN 30 49.549 9.563 -2.593 216 2HB ASN 30 HB2 ASN 30 50.692 10.298 -3.716 217 1HD2 ASN 30 HD21 ASN 30 51.619 11.226 -1.602 218 2HD2 ASN 30 HD22 ASN 30 52.731 10.275 -0.741 219 H ALA 31 HN ALA 31 50.115 7.082 -6.255 220 HA ALA 31 HA ALA 31 47.623 8.529 -6.920 221 1HB ALA 31 HB1 ALA 31 49.702 6.879 -8.286 222 2HB ALA 31 HB2 ALA 31 48.997 8.420 -8.775 223 3HB ALA 31 HB3 ALA 31 48.100 6.922 -9.023 224 H LEU 32 HN LEU 32 48.588 5.073 -7.154 225 HA LEU 32 HA LEU 32 46.007 3.966 -7.373 226 1HB LEU 32 HB1 LEU 32 48.043 2.531 -5.731 227 2HB LEU 32 HB2 LEU 32 48.537 3.032 -7.351 228 HG LEU 32 HG LEU 32 45.848 1.791 -7.173 229 1HD1 LEU 32 HD11 LEU 32 47.810 0.638 -9.003 230 2HD1 LEU 32 HD12 LEU 32 47.733 2.393 -9.149 231 3HD1 LEU 32 HD13 LEU 32 46.275 1.426 -9.359 232 1HD2 LEU 32 HD21 LEU 32 46.481 -0.354 -6.589 233 2HD2 LEU 32 HD22 LEU 32 47.614 0.555 -5.589 234 3HD2 LEU 32 HD23 LEU 32 48.144 -0.122 -7.129 235 H TRP 33 HN TRP 33 47.705 5.087 -4.500 236 HA TRP 33 HA TRP 33 45.841 3.892 -2.589 237 1HB TRP 33 HB1 TRP 33 47.169 5.114 -0.966 238 2HB TRP 33 HB2 TRP 33 47.783 6.198 -2.213 239 HD1 TRP 33 HD1 TRP 33 49.832 5.454 -3.576 240 HE1 TRP 33 HE1 TRP 33 51.365 3.389 -3.551 241 HE3 TRP 33 HE3 TRP 33 47.139 2.387 -0.499 242 HZ2 TRP 33 HZ2 TRP 33 51.440 0.783 -2.399 243 HZ3 TRP 33 HZ3 TRP 33 47.973 0.110 0.037 244 HH2 TRP 33 HH2 TRP 33 50.119 -0.689 -0.899 245 H LYS 34 HN LYS 34 46.537 7.285 -3.533 246 HA LYS 34 HA LYS 34 44.309 8.514 -2.270 247 1HB LYS 34 HB1 LYS 34 44.689 10.184 -4.253 248 2HB LYS 34 HB2 LYS 34 46.016 9.107 -4.687 249 1HG LYS 34 HG1 LYS 34 47.164 10.496 -3.256 250 2HG LYS 34 HG2 LYS 34 46.525 9.371 -2.059 251 1HD LYS 34 HD1 LYS 34 44.854 10.860 -1.369 252 2HD LYS 34 HD2 LYS 34 44.887 11.752 -2.891 253 1HE LYS 34 HE1 LYS 34 47.255 11.739 -0.996 254 2HE LYS 34 HE2 LYS 34 45.955 12.942 -0.881 255 1HZ LYS 34 HZ1 LYS 34 46.308 13.239 -3.370 256 2HZ LYS 34 HZ2 LYS 34 47.767 12.388 -3.168 257 3HZ LYS 34 HZ3 LYS 34 47.520 13.861 -2.358 258 H ALA 35 HN ALA 35 44.606 7.059 -5.506 259 HA ALA 35 HA ALA 35 42.063 7.761 -6.576 260 1HB ALA 35 HB1 ALA 35 43.702 5.227 -6.937 261 2HB ALA 35 HB2 ALA 35 43.978 6.741 -7.799 262 3HB ALA 35 HB3 ALA 35 42.487 5.836 -8.060 263 H MET 36 HN MET 36 43.055 5.052 -4.501 264 HA MET 36 HA MET 36 40.520 3.674 -4.509 265 1HB MET 36 HB1 MET 36 42.772 3.762 -2.469 266 2HB MET 36 HB2 MET 36 42.700 2.687 -3.864 267 1HG MET 36 HG1 MET 36 40.271 2.198 -2.692 268 2HG MET 36 HG2 MET 36 41.267 2.534 -1.277 269 1HE MET 36 HE1 MET 36 43.584 1.985 -1.311 270 2HE MET 36 HE2 MET 36 44.388 0.670 -2.165 271 3HE MET 36 HE3 MET 36 43.582 0.351 -0.631 272 H GLU 37 HN GLU 37 41.943 6.198 -2.440 273 HA GLU 37 HA GLU 37 39.985 6.297 -0.380 274 1HB GLU 37 HB1 GLU 37 41.246 8.766 -1.552 275 2HB GLU 37 HB2 GLU 37 42.271 7.535 -0.815 276 1HG GLU 37 HG1 GLU 37 41.645 8.129 1.275 277 2HG GLU 37 HG2 GLU 37 39.937 8.161 0.841 278 H LYS 38 HN LYS 38 39.903 7.481 -3.693 279 HA LYS 38 HA LYS 38 37.502 9.123 -3.316 280 1HB LYS 38 HB1 LYS 38 37.717 9.175 -5.870 281 2HB LYS 38 HB2 LYS 38 39.152 8.168 -5.670 282 1HG LYS 38 HG1 LYS 38 40.090 9.911 -4.132 283 2HG LYS 38 HG2 LYS 38 38.696 10.930 -4.496 284 1HD LYS 38 HD1 LYS 38 39.326 11.153 -6.778 285 2HD LYS 38 HD2 LYS 38 40.463 9.808 -6.676 286 1HE LYS 38 HE1 LYS 38 41.968 11.567 -6.484 287 2HE LYS 38 HE2 LYS 38 41.522 11.417 -4.772 288 1HZ LYS 38 HZ1 LYS 38 40.298 13.212 -6.809 289 2HZ LYS 38 HZ2 LYS 38 41.191 13.683 -5.443 290 3HZ LYS 38 HZ3 LYS 38 39.659 12.974 -5.255 291 H SER 39 HN SER 39 38.273 5.844 -4.364 292 HA SER 39 HA SER 39 35.382 5.155 -4.305 293 1HB SER 39 HB1 SER 39 35.644 4.068 -6.559 294 2HB SER 39 HB2 SER 39 37.245 4.792 -6.675 295 HG SER 39 HG SER 39 35.579 6.057 -7.667 296 H SER 40 HN SER 40 36.773 4.257 -2.313 297 HA SER 40 HA SER 40 38.248 1.767 -2.935 298 1HB SER 40 HB1 SER 40 39.219 3.065 -1.223 299 2HB SER 40 HB2 SER 40 38.333 1.841 -0.324 300 HG SER 40 HG SER 40 37.544 3.578 0.596 301 H LEU 41 HN LEU 41 37.605 -0.283 -1.954 302 HA LEU 41 HA LEU 41 34.742 -0.803 -2.119 303 1HB LEU 41 HB1 LEU 41 36.675 -2.744 -0.924 304 2HB LEU 41 HB2 LEU 41 36.967 -2.234 -2.588 305 HG LEU 41 HG LEU 41 34.171 -2.977 -1.873 306 1HD1 LEU 41 HD11 LEU 41 35.061 -2.211 -4.151 307 2HD1 LEU 41 HD12 LEU 41 34.110 -3.697 -4.144 308 3HD1 LEU 41 HD13 LEU 41 35.868 -3.776 -4.245 309 1HD2 LEU 41 HD21 LEU 41 36.377 -5.025 -2.278 310 2HD2 LEU 41 HD22 LEU 41 34.651 -5.377 -2.174 311 3HD2 LEU 41 HD23 LEU 41 35.508 -4.744 -0.769 312 H THR 42 HN THR 42 37.103 -0.358 0.466 313 HA THR 42 HA THR 42 34.964 -0.825 2.512 314 HB THR 42 HB THR 42 37.067 -0.917 4.009 315 HG1 THR 42 HG1 THR 42 38.970 -0.904 3.037 316 1HG2 THR 42 HG21 THR 42 37.683 -3.216 3.105 317 2HG2 THR 42 HG22 THR 42 36.560 -2.898 1.782 318 3HG2 THR 42 HG23 THR 42 35.970 -2.966 3.442 319 H GLN 43 HN GLN 43 36.018 0.654 4.602 320 HA GLN 43 HA GLN 43 35.867 3.458 3.553 321 1HB GLN 43 HB1 GLN 43 34.973 3.923 5.849 322 2HB GLN 43 HB2 GLN 43 35.115 2.202 6.212 323 1HG GLN 43 HG1 GLN 43 33.619 1.737 4.243 324 2HG GLN 43 HG2 GLN 43 33.386 3.478 4.072 325 1HE2 GLN 43 HE21 GLN 43 31.031 2.993 4.561 326 2HE2 GLN 43 HE22 GLN 43 30.555 2.801 6.179 327 H HIS 44 HN HIS 44 38.127 3.827 3.279 328 HA HIS 44 HA HIS 44 39.623 4.276 5.786 329 1HB HIS 44 HB1 HIS 44 41.465 2.846 4.241 330 2HB HIS 44 HB2 HIS 44 39.952 1.960 4.019 331 HD1 HIS 44 HD1 HIS 44 42.393 3.032 6.673 332 HD2 HIS 44 HD2 HIS 44 38.969 0.677 6.349 333 HE1 HIS 44 HE1 HIS 44 42.160 1.806 8.869 334 H SER 45 HN SER 45 41.678 5.437 5.358 335 HA SER 45 HA SER 45 41.394 7.266 3.044 336 1HB SER 45 HB1 SER 45 41.882 8.481 4.956 337 2HB SER 45 HB2 SER 45 43.516 8.208 4.367 338 HG SER 45 HG SER 45 42.926 7.644 6.670 339 H TRP 46 HN TRP 46 43.849 7.941 2.291 340 HA TRP 46 HA TRP 46 44.938 5.448 1.108 341 1HB TRP 46 HB1 TRP 46 44.222 7.686 -0.080 342 2HB TRP 46 HB2 TRP 46 45.689 6.875 -0.618 343 HD1 TRP 46 HD1 TRP 46 44.464 10.078 0.925 344 HE1 TRP 46 HE1 TRP 46 46.473 11.655 1.319 345 HE3 TRP 46 HE3 TRP 46 48.294 6.834 0.041 346 HZ2 TRP 46 HZ2 TRP 46 49.343 11.539 1.269 347 HZ3 TRP 46 HZ3 TRP 46 50.653 7.582 0.225 348 HH2 TRP 46 HH2 TRP 46 51.180 9.923 0.838 349 H GLN 47 HN GLN 47 45.847 8.106 3.248 350 HA GLN 47 HA GLN 47 48.649 7.773 3.421 351 1HB GLN 47 HB1 GLN 47 47.356 8.305 5.993 352 2HB GLN 47 HB2 GLN 47 46.614 9.225 4.686 353 1HG GLN 47 HG1 GLN 47 48.950 9.930 3.995 354 2HG GLN 47 HG2 GLN 47 49.534 9.198 5.491 355 1HE2 GLN 47 HE21 GLN 47 46.840 11.421 4.527 356 2HE2 GLN 47 HE22 GLN 47 47.071 12.492 5.823 357 H SER 48 HN SER 48 46.408 6.547 5.940 358 HA SER 48 HA SER 48 48.188 4.698 7.134 359 1HB SER 48 HB1 SER 48 45.200 4.325 6.792 360 2HB SER 48 HB2 SER 48 45.884 5.526 7.882 361 HG SER 48 HG SER 48 47.065 3.788 8.868 362 H LEU 49 HN LEU 49 46.317 4.457 4.186 363 HA LEU 49 HA LEU 49 46.387 1.606 3.810 364 1HB LEU 49 HB1 LEU 49 46.548 3.291 1.402 365 2HB LEU 49 HB2 LEU 49 45.354 3.873 2.557 366 HG LEU 49 HG LEU 49 44.358 2.297 0.952 367 1HD1 LEU 49 HD11 LEU 49 46.161 0.865 0.358 368 2HD1 LEU 49 HD12 LEU 49 45.032 -0.159 1.245 369 3HD1 LEU 49 HD13 LEU 49 46.486 0.444 2.039 370 1HD2 LEU 49 HD21 LEU 49 43.760 2.436 3.495 371 2HD2 LEU 49 HD22 LEU 49 44.506 0.840 3.585 372 3HD2 LEU 49 HD23 LEU 49 43.109 1.104 2.541 373 H LYS 50 HN LYS 50 48.371 4.150 2.241 374 HA LYS 50 HA LYS 50 50.353 2.293 1.234 375 1HB LYS 50 HB1 LYS 50 50.871 5.216 1.697 376 2HB LYS 50 HB2 LYS 50 49.613 4.744 0.554 377 1HG LYS 50 HG1 LYS 50 51.450 4.784 -0.860 378 2HG LYS 50 HG2 LYS 50 51.513 3.105 -0.325 379 1HD LYS 50 HD1 LYS 50 53.655 3.586 0.273 380 2HD LYS 50 HD2 LYS 50 52.925 4.384 1.665 381 1HE LYS 50 HE1 LYS 50 52.730 6.355 -0.240 382 2HE LYS 50 HE2 LYS 50 54.256 5.569 -0.693 383 1HZ LYS 50 HZ1 LYS 50 54.608 7.241 1.032 384 2HZ LYS 50 HZ2 LYS 50 54.937 5.687 1.637 385 3HZ LYS 50 HZ3 LYS 50 53.484 6.469 2.040 386 H ASP 51 HN ASP 51 50.059 4.218 4.183 387 HA ASP 51 HA ASP 51 52.788 4.049 5.059 388 1HB ASP 51 HB1 ASP 51 50.424 4.054 6.921 389 2HB ASP 51 HB2 ASP 51 50.708 5.440 5.868 390 H ARG 52 HN ARG 52 49.949 1.968 5.757 391 HA ARG 52 HA ARG 52 51.335 0.144 7.489 392 1HB ARG 52 HB1 ARG 52 49.117 -0.861 5.787 393 2HB ARG 52 HB2 ARG 52 48.760 0.578 6.742 394 1HG ARG 52 HG1 ARG 52 48.256 -1.043 8.314 395 2HG ARG 52 HG2 ARG 52 49.977 -0.850 8.650 396 1HD ARG 52 HD1 ARG 52 49.565 -3.227 8.442 397 2HD ARG 52 HD2 ARG 52 50.376 -2.730 6.943 398 HE ARG 52 HE ARG 52 48.022 -2.539 5.971 399 1HH1 ARG 52 HH11 ARG 52 45.808 -3.050 6.989 400 2HH1 ARG 52 HH12 ARG 52 45.685 -4.679 7.566 401 1HH2 ARG 52 HH21 ARG 52 49.105 -5.240 7.507 402 2HH2 ARG 52 HH22 ARG 52 47.551 -5.919 7.858 403 H TYR 53 HN TYR 53 50.999 0.347 3.972 404 HA TYR 53 HA TYR 53 51.835 -2.263 3.232 405 1HB TYR 53 HB1 TYR 53 52.666 0.223 1.749 406 2HB TYR 53 HB2 TYR 53 50.958 -0.195 1.887 407 HD1 TYR 53 HD1 TYR 53 53.772 -0.566 -0.138 408 HD2 TYR 53 HD2 TYR 53 50.511 -2.841 1.483 409 HE1 TYR 53 HE1 TYR 53 54.038 -2.238 -1.949 410 HE2 TYR 53 HE2 TYR 53 50.775 -4.512 -0.327 411 HH TYR 53 HH TYR 53 51.851 -4.293 -2.887 412 H LEU 54 HN LEU 54 53.917 0.657 3.237 413 HA LEU 54 HA LEU 54 56.381 -0.858 3.121 414 1HB LEU 54 HB1 LEU 54 57.285 1.468 3.778 415 2HB LEU 54 HB2 LEU 54 55.601 1.990 3.750 416 HG LEU 54 HG LEU 54 55.432 1.115 1.406 417 1HD1 LEU 54 HD11 LEU 54 55.753 3.391 1.307 418 2HD1 LEU 54 HD12 LEU 54 57.269 2.888 0.559 419 3HD1 LEU 54 HD13 LEU 54 57.231 3.330 2.266 420 1HD2 LEU 54 HD21 LEU 54 57.852 0.899 0.355 421 2HD2 LEU 54 HD22 LEU 54 57.099 -0.492 1.135 422 3HD2 LEU 54 HD23 LEU 54 58.302 0.462 2.003 423 H LYS 55 HN LYS 55 54.307 0.145 5.738 424 HA LYS 55 HA LYS 55 56.154 0.248 7.902 425 1HB LYS 55 HB1 LYS 55 53.833 -0.731 8.981 426 2HB LYS 55 HB2 LYS 55 53.260 -0.111 7.435 427 1HG LYS 55 HG1 LYS 55 53.167 1.893 8.507 428 2HG LYS 55 HG2 LYS 55 54.913 1.923 8.265 429 1HD LYS 55 HD1 LYS 55 55.199 0.793 10.471 430 2HD LYS 55 HD2 LYS 55 53.454 0.875 10.711 431 1HE LYS 55 HE1 LYS 55 53.493 3.152 11.118 432 2HE LYS 55 HE2 LYS 55 54.855 3.427 10.011 433 1HZ LYS 55 HZ1 LYS 55 55.007 2.010 12.628 434 2HZ LYS 55 HZ2 LYS 55 55.519 3.607 12.357 435 3HZ LYS 55 HZ3 LYS 55 56.308 2.316 11.585 436 H HIS 56 HN HIS 56 54.254 -2.533 6.642 437 HA HIS 56 HA HIS 56 56.358 -4.410 7.330 438 1HB HIS 56 HB1 HIS 56 55.703 -4.118 9.576 439 2HB HIS 56 HB2 HIS 56 54.879 -5.589 9.091 440 HD1 HIS 56 HD1 HIS 56 53.757 -4.016 11.433 441 HD2 HIS 56 HD2 HIS 56 52.553 -3.349 7.501 442 HE1 HIS 56 HE1 HIS 56 51.505 -2.869 11.559 443 H LEU 57 HN LEU 57 54.953 -4.047 4.926 444 HA LEU 57 HA LEU 57 53.436 -6.635 4.778 445 1HB LEU 57 HB1 LEU 57 52.030 -5.464 3.030 446 2HB LEU 57 HB2 LEU 57 52.831 -3.962 3.481 447 HG LEU 57 HG LEU 57 52.073 -4.323 5.832 448 1HD1 LEU 57 HD11 LEU 57 50.580 -2.871 4.875 449 2HD1 LEU 57 HD12 LEU 57 49.479 -4.231 5.070 450 3HD1 LEU 57 HD13 LEU 57 50.254 -3.939 3.513 451 1HD2 LEU 57 HD21 LEU 57 50.131 -6.033 6.008 452 2HD2 LEU 57 HD22 LEU 57 51.776 -6.668 5.997 453 3HD2 LEU 57 HD23 LEU 57 50.797 -6.732 4.532 454 H ARG 58 HN ARG 58 54.572 -4.190 2.426 455 HA ARG 58 HA ARG 58 55.394 -6.110 0.460 456 1HB ARG 58 HB1 ARG 58 56.636 -3.385 0.730 457 2HB ARG 58 HB2 ARG 58 54.904 -3.511 0.422 458 1HG ARG 58 HG1 ARG 58 55.818 -3.428 -1.743 459 2HG ARG 58 HG2 ARG 58 55.602 -5.157 -1.474 460 1HD ARG 58 HD1 ARG 58 57.972 -5.370 -0.828 461 2HD ARG 58 HD2 ARG 58 58.193 -3.621 -1.037 462 HE ARG 58 HE ARG 58 57.092 -4.430 -3.446 463 1HH1 ARG 58 HH11 ARG 58 60.058 -3.688 -2.757 464 2HH1 ARG 58 HH12 ARG 58 60.873 -4.996 -3.548 465 1HH2 ARG 58 HH21 ARG 58 57.998 -6.896 -3.942 466 2HH2 ARG 58 HH22 ARG 58 59.705 -6.812 -4.219 467 H GLY 59 HN GLY 59 57.339 -4.150 2.748 468 1HA GLY 59 HA1 GLY 59 59.798 -4.402 2.858 469 2HA GLY 59 HA2 GLY 59 59.589 -6.079 2.350 Start of MODEL 2 1 1H GLY 1 HT1 GLY 1 46.626 10.044 9.307 2 2H GLY 1 HT2 GLY 1 47.991 9.132 8.870 3 3H GLY 1 HT3 GLY 1 47.490 9.196 10.493 4 1HA GLY 1 HA1 GLY 1 45.997 7.951 8.250 5 2HA GLY 1 HA2 GLY 1 45.427 8.055 9.915 6 H ARG 2 HN ARG 2 45.793 6.232 11.058 7 HA ARG 2 HA ARG 2 47.729 4.222 10.111 8 1HB ARG 2 HB1 ARG 2 48.196 4.847 12.940 9 2HB ARG 2 HB2 ARG 2 48.539 6.223 11.892 10 1HG ARG 2 HG1 ARG 2 50.282 5.149 10.829 11 2HG ARG 2 HG2 ARG 2 49.556 3.553 11.024 12 1HD ARG 2 HD1 ARG 2 51.351 3.478 12.555 13 2HD ARG 2 HD2 ARG 2 50.008 3.991 13.595 14 HE ARG 2 HE ARG 2 51.009 6.146 13.707 15 1HH1 ARG 2 HH11 ARG 2 51.603 7.673 11.756 16 2HH1 ARG 2 HH12 ARG 2 53.166 7.305 11.108 17 1HH2 ARG 2 HH21 ARG 2 53.347 4.182 12.606 18 2HH2 ARG 2 HH22 ARG 2 54.153 5.330 11.590 19 H ILE 3 HN ILE 3 47.816 2.815 12.586 20 HA ILE 3 HA ILE 3 46.610 1.032 13.523 21 HB ILE 3 HB ILE 3 44.971 1.889 15.155 22 1HG1 ILE 3 HG11 ILE 3 45.264 4.513 13.657 23 2HG1 ILE 3 HG12 ILE 3 44.683 4.399 15.300 24 1HG2 ILE 3 HG21 ILE 3 46.558 3.105 16.413 25 2HG2 ILE 3 HG22 ILE 3 47.292 3.801 14.969 26 3HG2 ILE 3 HG23 ILE 3 47.519 2.092 15.337 27 1HD1 ILE 3 HD11 ILE 3 43.061 2.573 14.195 28 2HD1 ILE 3 HD12 ILE 3 43.337 3.577 12.775 29 3HD1 ILE 3 HD13 ILE 3 42.655 4.288 14.234 30 H ALA 4 HN ALA 4 44.093 0.455 14.133 31 HA ALA 4 HA ALA 4 42.224 -0.654 13.229 32 1HB ALA 4 HB1 ALA 4 42.305 2.079 11.966 33 2HB ALA 4 HB2 ALA 4 41.300 1.514 13.300 34 3HB ALA 4 HB3 ALA 4 40.969 0.972 11.654 35 H PHE 5 HN PHE 5 43.340 -2.369 12.112 36 HA PHE 5 HA PHE 5 43.122 -2.181 9.155 37 1HB PHE 5 HB1 PHE 5 45.524 -3.326 9.258 38 2HB PHE 5 HB2 PHE 5 45.614 -2.470 10.796 39 HD1 PHE 5 HD1 PHE 5 46.636 -0.387 10.689 40 HD2 PHE 5 HD2 PHE 5 44.329 -1.753 7.336 41 HE1 PHE 5 HE1 PHE 5 47.137 1.723 9.487 42 HE2 PHE 5 HE2 PHE 5 44.829 0.357 6.132 43 HZ PHE 5 HZ PHE 5 46.233 2.096 7.209 44 H THR 6 HN THR 6 41.316 -3.637 10.353 45 HA THR 6 HA THR 6 42.044 -6.277 11.254 46 HB THR 6 HB THR 6 39.909 -5.179 11.767 47 HG1 THR 6 HG1 THR 6 38.560 -6.924 11.222 48 1HG2 THR 6 HG21 THR 6 38.335 -5.451 9.506 49 2HG2 THR 6 HG22 THR 6 39.858 -4.847 8.853 50 3HG2 THR 6 HG23 THR 6 39.010 -3.937 10.104 51 H ASP 7 HN ASP 7 40.833 -8.181 9.884 52 HA ASP 7 HA ASP 7 42.450 -8.672 7.575 53 1HB ASP 7 HB1 ASP 7 40.334 -10.365 7.301 54 2HB ASP 7 HB2 ASP 7 40.130 -9.877 8.985 55 H ALA 8 HN ALA 8 39.211 -7.290 7.940 56 HA ALA 8 HA ALA 8 38.378 -7.386 5.205 57 1HB ALA 8 HB1 ALA 8 37.591 -5.018 6.781 58 2HB ALA 8 HB2 ALA 8 37.377 -6.549 7.632 59 3HB ALA 8 HB3 ALA 8 36.583 -6.285 6.080 60 H ASP 9 HN ASP 9 40.462 -5.147 6.965 61 HA ASP 9 HA ASP 9 40.605 -3.199 4.770 62 1HB ASP 9 HB1 ASP 9 42.432 -2.307 6.361 63 2HB ASP 9 HB2 ASP 9 41.961 -3.618 7.442 64 H ASP 10 HN ASP 10 42.575 -5.852 6.062 65 HA ASP 10 HA ASP 10 44.926 -5.353 4.453 66 1HB ASP 10 HB1 ASP 10 45.471 -7.680 5.171 67 2HB ASP 10 HB2 ASP 10 43.820 -7.860 5.767 68 H VAL 11 HN VAL 11 42.095 -7.495 4.037 69 HA VAL 11 HA VAL 11 42.982 -8.647 1.532 70 HB VAL 11 HB VAL 11 40.244 -8.336 2.819 71 1HG1 VAL 11 HG11 VAL 11 41.219 -10.006 0.490 72 2HG1 VAL 11 HG12 VAL 11 39.858 -8.884 0.527 73 3HG1 VAL 11 HG13 VAL 11 39.762 -10.414 1.398 74 1HG2 VAL 11 HG21 VAL 11 40.656 -10.651 3.588 75 2HG2 VAL 11 HG22 VAL 11 41.889 -9.550 4.202 76 3HG2 VAL 11 HG23 VAL 11 42.254 -10.611 2.842 77 H ALA 12 HN ALA 12 41.075 -5.798 2.405 78 HA ALA 12 HA ALA 12 40.182 -5.202 -0.301 79 1HB ALA 12 HB1 ALA 12 40.267 -3.824 2.373 80 2HB ALA 12 HB2 ALA 12 38.862 -4.319 1.430 81 3HB ALA 12 HB3 ALA 12 39.804 -2.912 0.938 82 H ILE 13 HN ILE 13 42.802 -3.997 1.799 83 HA ILE 13 HA ILE 13 43.818 -2.102 -0.162 84 HB ILE 13 HB ILE 13 45.013 -3.357 2.337 85 1HG1 ILE 13 HG11 ILE 13 42.833 -1.998 2.485 86 2HG1 ILE 13 HG12 ILE 13 43.803 -0.604 2.009 87 1HG2 ILE 13 HG21 ILE 13 46.004 -1.320 0.410 88 2HG2 ILE 13 HG22 ILE 13 46.909 -2.412 1.456 89 3HG2 ILE 13 HG23 ILE 13 46.207 -0.937 2.119 90 1HD1 ILE 13 HD11 ILE 13 45.264 -0.923 3.943 91 2HD1 ILE 13 HD12 ILE 13 44.393 -2.389 4.391 92 3HD1 ILE 13 HD13 ILE 13 43.590 -0.822 4.486 93 H LEU 14 HN LEU 14 44.446 -5.482 0.632 94 HA LEU 14 HA LEU 14 46.897 -5.693 -0.940 95 1HB LEU 14 HB1 LEU 14 44.944 -7.666 0.282 96 2HB LEU 14 HB2 LEU 14 46.486 -7.144 0.952 97 HG LEU 14 HG LEU 14 46.126 -8.724 -1.613 98 1HD1 LEU 14 HD11 LEU 14 48.427 -7.338 -0.340 99 2HD1 LEU 14 HD12 LEU 14 48.144 -7.724 -2.037 100 3HD1 LEU 14 HD13 LEU 14 48.746 -8.966 -0.940 101 1HD2 LEU 14 HD21 LEU 14 47.491 -10.394 -0.097 102 2HD2 LEU 14 HD22 LEU 14 45.740 -10.287 0.080 103 3HD2 LEU 14 HD23 LEU 14 46.795 -9.457 1.224 104 H THR 15 HN THR 15 43.593 -7.025 -1.415 105 HA THR 15 HA THR 15 43.909 -8.014 -4.043 106 HB THR 15 HB THR 15 41.487 -6.686 -2.782 107 HG1 THR 15 HG1 THR 15 42.470 -9.342 -2.674 108 1HG2 THR 15 HG21 THR 15 41.878 -8.564 -5.103 109 2HG2 THR 15 HG22 THR 15 40.939 -7.073 -5.037 110 3HG2 THR 15 HG23 THR 15 40.352 -8.523 -4.220 111 H TYR 16 HN TYR 16 43.197 -4.722 -2.941 112 HA TYR 16 HA TYR 16 42.655 -3.597 -5.554 113 1HB TYR 16 HB1 TYR 16 43.583 -2.393 -2.919 114 2HB TYR 16 HB2 TYR 16 41.910 -2.602 -3.433 115 HD1 TYR 16 HD1 TYR 16 40.858 -1.038 -4.915 116 HD2 TYR 16 HD2 TYR 16 45.082 -0.823 -4.176 117 HE1 TYR 16 HE1 TYR 16 40.952 1.151 -6.076 118 HE2 TYR 16 HE2 TYR 16 45.178 1.359 -5.338 119 HH TYR 16 HH TYR 16 43.031 2.457 -7.371 120 H VAL 17 HN VAL 17 45.552 -3.506 -3.439 121 HA VAL 17 HA VAL 17 47.268 -2.134 -5.285 122 HB VAL 17 HB VAL 17 47.801 -4.079 -3.008 123 1HG1 VAL 17 HG11 VAL 17 50.057 -3.295 -2.951 124 2HG1 VAL 17 HG12 VAL 17 49.721 -2.027 -4.128 125 3HG1 VAL 17 HG13 VAL 17 49.741 -3.717 -4.634 126 1HG2 VAL 17 HG21 VAL 17 46.534 -1.775 -2.750 127 2HG2 VAL 17 HG22 VAL 17 48.158 -1.102 -2.894 128 3HG2 VAL 17 HG23 VAL 17 47.783 -2.231 -1.592 129 H LYS 18 HN LYS 18 46.852 -5.625 -4.608 130 HA LYS 18 HA LYS 18 48.778 -6.625 -6.447 131 1HB LYS 18 HB1 LYS 18 46.108 -7.810 -5.618 132 2HB LYS 18 HB2 LYS 18 47.583 -7.887 -4.655 133 1HG LYS 18 HG1 LYS 18 47.906 -8.790 -7.451 134 2HG LYS 18 HG2 LYS 18 46.809 -9.783 -6.491 135 1HD LYS 18 HD1 LYS 18 48.698 -10.811 -5.760 136 2HD LYS 18 HD2 LYS 18 48.895 -9.390 -4.735 137 1HE LYS 18 HE1 LYS 18 50.521 -8.455 -6.132 138 2HE LYS 18 HE2 LYS 18 49.931 -9.321 -7.564 139 1HZ LYS 18 HZ1 LYS 18 51.922 -10.388 -6.756 140 2HZ LYS 18 HZ2 LYS 18 50.599 -11.408 -6.443 141 3HZ LYS 18 HZ3 LYS 18 51.288 -10.496 -5.186 142 H GLU 19 HN GLU 19 45.611 -5.245 -7.020 143 HA GLU 19 HA GLU 19 45.398 -6.386 -9.737 144 1HB GLU 19 HB1 GLU 19 43.385 -4.609 -9.537 145 2HB GLU 19 HB2 GLU 19 43.751 -4.803 -7.823 146 1HG GLU 19 HG1 GLU 19 43.481 -7.224 -8.009 147 2HG GLU 19 HG2 GLU 19 43.233 -7.090 -9.750 148 H ASN 20 HN ASN 20 46.392 -3.366 -8.199 149 HA ASN 20 HA ASN 20 46.754 -2.137 -10.918 150 1HB ASN 20 HB1 ASN 20 46.506 -0.007 -9.813 151 2HB ASN 20 HB2 ASN 20 46.638 -0.752 -8.224 152 1HD2 ASN 20 HD21 ASN 20 44.534 0.042 -7.570 153 2HD2 ASN 20 HD22 ASN 20 43.100 -0.608 -8.200 154 H ALA 21 HN ALA 21 48.204 -1.889 -7.653 155 HA ALA 21 HA ALA 21 50.699 -0.829 -8.269 156 1HB ALA 21 HB1 ALA 21 50.732 -3.052 -6.326 157 2HB ALA 21 HB2 ALA 21 49.427 -1.891 -6.090 158 3HB ALA 21 HB3 ALA 21 51.104 -1.345 -6.087 159 H ARG 22 HN ARG 22 52.363 -1.483 -9.508 160 HA ARG 22 HA ARG 22 53.298 -4.243 -9.601 161 1HB ARG 22 HB1 ARG 22 52.329 -3.111 -12.219 162 2HB ARG 22 HB2 ARG 22 51.187 -3.917 -11.143 163 1HG ARG 22 HG1 ARG 22 51.948 -5.684 -12.488 164 2HG ARG 22 HG2 ARG 22 52.989 -5.813 -11.069 165 1HD ARG 22 HD1 ARG 22 54.858 -5.244 -12.261 166 2HD ARG 22 HD2 ARG 22 54.000 -3.989 -13.178 167 HE ARG 22 HE ARG 22 53.343 -6.827 -13.772 168 1HH1 ARG 22 HH11 ARG 22 55.475 -7.184 -15.247 169 2HH1 ARG 22 HH12 ARG 22 55.417 -6.145 -16.632 170 1HH2 ARG 22 HH21 ARG 22 53.007 -4.045 -15.287 171 2HH2 ARG 22 HH22 ARG 22 54.020 -4.368 -16.654 172 H SER 23 HN SER 23 53.276 -1.071 -11.228 173 HA SER 23 HA SER 23 56.084 -1.321 -12.076 174 1HB SER 23 HB1 SER 23 54.111 -0.184 -13.285 175 2HB SER 23 HB2 SER 23 55.615 0.727 -13.213 176 HG SER 23 HG SER 23 54.753 2.120 -11.888 177 HA PRO 24 HA PRO 24 57.788 0.651 -8.507 178 1HB PRO 24 HB1 PRO 24 59.894 0.351 -9.426 179 2HB PRO 24 HB2 PRO 24 59.839 2.119 -9.570 180 1HG PRO 24 HG1 PRO 24 60.227 0.528 -11.689 181 2HG PRO 24 HG2 PRO 24 59.308 2.038 -11.805 182 1HD PRO 24 HD1 PRO 24 58.353 -0.774 -11.828 183 2HD PRO 24 HD2 PRO 24 57.658 0.668 -12.602 184 H SER 25 HN SER 25 55.569 1.959 -8.743 185 HA SER 25 HA SER 25 56.212 4.786 -8.351 186 1HB SER 25 HB1 SER 25 54.711 3.795 -10.789 187 2HB SER 25 HB2 SER 25 56.211 4.718 -10.765 188 HG SER 25 HG SER 25 54.099 5.866 -11.110 189 H SER 26 HN SER 26 53.586 2.436 -9.010 190 HA SER 26 HA SER 26 51.429 3.849 -7.839 191 1HB SER 26 HB1 SER 26 50.525 1.500 -7.500 192 2HB SER 26 HB2 SER 26 52.098 0.900 -8.019 193 HG SER 26 HG SER 26 51.829 2.020 -9.974 194 H VAL 27 HN VAL 27 53.705 1.563 -6.280 195 HA VAL 27 HA VAL 27 52.535 2.036 -3.628 196 HB VAL 27 HB VAL 27 54.292 0.431 -2.943 197 1HG1 VAL 27 HG11 VAL 27 53.517 -1.455 -4.339 198 2HG1 VAL 27 HG12 VAL 27 52.869 -0.313 -5.515 199 3HG1 VAL 27 HG13 VAL 27 52.175 -0.397 -3.897 200 1HG2 VAL 27 HG21 VAL 27 56.154 0.046 -4.177 201 2HG2 VAL 27 HG22 VAL 27 55.695 1.455 -5.126 202 3HG2 VAL 27 HG23 VAL 27 55.225 -0.154 -5.662 203 H THR 28 HN THR 28 55.127 3.378 -5.536 204 HA THR 28 HA THR 28 56.536 4.538 -3.217 205 HB THR 28 HB THR 28 56.887 4.925 -6.206 206 HG1 THR 28 HG1 THR 28 57.906 3.088 -6.207 207 1HG2 THR 28 HG21 THR 28 57.983 6.471 -4.359 208 2HG2 THR 28 HG22 THR 28 58.935 5.902 -5.731 209 3HG2 THR 28 HG23 THR 28 59.073 5.098 -4.169 210 H GLY 29 HN GLY 29 54.114 5.478 -5.572 211 1HA GLY 29 HA1 GLY 29 53.453 7.737 -6.174 212 2HA GLY 29 HA2 GLY 29 54.387 8.340 -4.804 213 H ASN 30 HN ASN 30 51.744 9.151 -5.179 214 HA ASN 30 HA ASN 30 50.301 7.719 -2.966 215 1HB ASN 30 HB1 ASN 30 49.503 9.945 -2.301 216 2HB ASN 30 HB2 ASN 30 50.311 10.668 -3.689 217 1HD2 ASN 30 HD21 ASN 30 51.644 8.105 -1.553 218 2HD2 ASN 30 HD22 ASN 30 52.935 9.043 -0.977 219 H ALA 31 HN ALA 31 50.110 7.426 -5.987 220 HA ALA 31 HA ALA 31 47.476 8.604 -6.636 221 1HB ALA 31 HB1 ALA 31 48.885 8.656 -8.475 222 2HB ALA 31 HB2 ALA 31 48.104 7.102 -8.759 223 3HB ALA 31 HB3 ALA 31 49.703 7.163 -8.017 224 H LEU 32 HN LEU 32 48.823 5.286 -6.860 225 HA LEU 32 HA LEU 32 46.385 3.886 -7.100 226 1HB LEU 32 HB1 LEU 32 48.530 2.662 -5.449 227 2HB LEU 32 HB2 LEU 32 49.038 3.281 -7.021 228 HG LEU 32 HG LEU 32 46.523 1.683 -6.945 229 1HD1 LEU 32 HD11 LEU 32 48.679 2.427 -8.820 230 2HD1 LEU 32 HD12 LEU 32 46.981 2.077 -9.137 231 3HD1 LEU 32 HD13 LEU 32 48.137 0.757 -8.971 232 1HD2 LEU 32 HD21 LEU 32 49.039 0.110 -7.134 233 2HD2 LEU 32 HD22 LEU 32 47.476 -0.350 -6.462 234 3HD2 LEU 32 HD23 LEU 32 48.583 0.647 -5.519 235 H TRP 33 HN TRP 33 47.976 5.150 -4.216 236 HA TRP 33 HA TRP 33 46.276 3.767 -2.299 237 1HB TRP 33 HB1 TRP 33 47.415 5.255 -0.706 238 2HB TRP 33 HB2 TRP 33 47.973 6.279 -2.031 239 HD1 TRP 33 HD1 TRP 33 50.324 5.762 -2.829 240 HE1 TRP 33 HE1 TRP 33 51.879 3.713 -2.822 241 HE3 TRP 33 HE3 TRP 33 47.224 2.315 -0.702 242 HZ2 TRP 33 HZ2 TRP 33 51.813 0.966 -2.026 243 HZ3 TRP 33 HZ3 TRP 33 47.990 -0.006 -0.322 244 HH2 TRP 33 HH2 TRP 33 50.281 -0.687 -0.986 245 H LYS 34 HN LYS 34 46.439 7.183 -3.401 246 HA LYS 34 HA LYS 34 44.086 8.104 -2.067 247 1HB LYS 34 HB1 LYS 34 44.200 9.756 -4.129 248 2HB LYS 34 HB2 LYS 34 45.709 8.906 -4.469 249 1HG LYS 34 HG1 LYS 34 46.526 10.547 -3.066 250 2HG LYS 34 HG2 LYS 34 46.086 9.342 -1.857 251 1HD LYS 34 HD1 LYS 34 44.144 10.492 -1.232 252 2HD LYS 34 HD2 LYS 34 44.042 11.349 -2.772 253 1HE LYS 34 HE1 LYS 34 46.504 11.906 -1.218 254 2HE LYS 34 HE2 LYS 34 44.999 12.486 -0.477 255 1HZ LYS 34 HZ1 LYS 34 44.398 13.509 -2.571 256 2HZ LYS 34 HZ2 LYS 34 45.801 12.905 -3.315 257 3HZ LYS 34 HZ3 LYS 34 45.921 14.079 -2.093 258 H ALA 35 HN ALA 35 44.542 6.686 -5.304 259 HA ALA 35 HA ALA 35 41.890 7.006 -6.300 260 1HB ALA 35 HB1 ALA 35 44.110 5.000 -6.752 261 2HB ALA 35 HB2 ALA 35 43.660 6.366 -7.771 262 3HB ALA 35 HB3 ALA 35 42.612 4.950 -7.681 263 H MET 36 HN MET 36 43.315 4.549 -4.190 264 HA MET 36 HA MET 36 41.185 2.637 -4.246 265 1HB MET 36 HB1 MET 36 43.011 3.355 -1.933 266 2HB MET 36 HB2 MET 36 43.533 2.403 -3.323 267 1HG MET 36 HG1 MET 36 42.056 0.626 -2.797 268 2HG MET 36 HG2 MET 36 41.106 1.630 -1.701 269 1HE MET 36 HE1 MET 36 44.329 -0.668 -2.056 270 2HE MET 36 HE2 MET 36 45.431 0.262 -1.044 271 3HE MET 36 HE3 MET 36 44.730 1.002 -2.481 272 H GLU 37 HN GLU 37 41.787 5.411 -2.080 273 HA GLU 37 HA GLU 37 39.512 5.044 -0.382 274 1HB GLU 37 HB1 GLU 37 40.875 7.619 -1.226 275 2HB GLU 37 HB2 GLU 37 41.518 6.513 -0.013 276 1HG GLU 37 HG1 GLU 37 40.334 7.870 1.410 277 2HG GLU 37 HG2 GLU 37 39.003 6.813 0.937 278 H LYS 38 HN LYS 38 39.836 6.422 -3.599 279 HA LYS 38 HA LYS 38 37.149 7.659 -3.532 280 1HB LYS 38 HB1 LYS 38 37.812 8.303 -5.857 281 2HB LYS 38 HB2 LYS 38 39.282 7.345 -5.670 282 1HG LYS 38 HG1 LYS 38 39.520 8.827 -3.461 283 2HG LYS 38 HG2 LYS 38 38.527 9.945 -4.397 284 1HD LYS 38 HD1 LYS 38 40.714 8.772 -5.971 285 2HD LYS 38 HD2 LYS 38 41.292 9.684 -4.578 286 1HE LYS 38 HE1 LYS 38 41.103 11.386 -6.178 287 2HE LYS 38 HE2 LYS 38 39.496 11.465 -5.431 288 1HZ LYS 38 HZ1 LYS 38 38.635 10.029 -7.119 289 2HZ LYS 38 HZ2 LYS 38 40.182 9.739 -7.758 290 3HZ LYS 38 HZ3 LYS 38 39.471 11.274 -7.910 291 H SER 39 HN SER 39 38.814 5.029 -5.307 292 HA SER 39 HA SER 39 36.510 4.157 -6.794 293 1HB SER 39 HB1 SER 39 38.768 3.599 -7.460 294 2HB SER 39 HB2 SER 39 37.950 2.091 -7.064 295 HG SER 39 HG SER 39 39.995 3.397 -5.735 296 H SER 40 HN SER 40 38.126 2.233 -4.255 297 HA SER 40 HA SER 40 35.538 1.769 -2.881 298 1HB SER 40 HB1 SER 40 37.175 -0.557 -3.895 299 2HB SER 40 HB2 SER 40 35.948 0.195 -4.911 300 HG SER 40 HG SER 40 35.631 -1.149 -2.466 301 H LEU 41 HN LEU 41 36.002 1.817 -0.718 302 HA LEU 41 HA LEU 41 38.457 0.524 0.312 303 1HB LEU 41 HB1 LEU 41 37.812 3.400 0.977 304 2HB LEU 41 HB2 LEU 41 38.814 2.978 -0.412 305 HG LEU 41 HG LEU 41 39.939 1.443 1.579 306 1HD1 LEU 41 HD11 LEU 41 41.793 2.668 1.079 307 2HD1 LEU 41 HD12 LEU 41 40.991 4.205 1.404 308 3HD1 LEU 41 HD13 LEU 41 40.752 3.394 -0.145 309 1HD2 LEU 41 HD21 LEU 41 39.839 2.450 3.638 310 2HD2 LEU 41 HD22 LEU 41 38.288 3.030 3.030 311 3HD2 LEU 41 HD23 LEU 41 39.709 4.071 2.953 312 H THR 42 HN THR 42 38.424 0.750 2.816 313 HA THR 42 HA THR 42 35.716 0.040 3.747 314 HB THR 42 HB THR 42 37.375 -0.199 5.907 315 HG1 THR 42 HG1 THR 42 39.288 0.299 5.141 316 1HG2 THR 42 HG21 THR 42 36.427 -1.917 3.732 317 2HG2 THR 42 HG22 THR 42 36.502 -2.234 5.464 318 3HG2 THR 42 HG23 THR 42 37.925 -2.500 4.459 319 H GLN 43 HN GLN 43 38.145 1.830 5.628 320 HA GLN 43 HA GLN 43 36.595 4.309 5.694 321 1HB GLN 43 HB1 GLN 43 36.695 2.484 8.121 322 2HB GLN 43 HB2 GLN 43 35.275 2.719 7.102 323 1HG GLN 43 HG1 GLN 43 34.810 4.755 8.013 324 2HG GLN 43 HG2 GLN 43 36.509 5.224 8.073 325 1HE2 GLN 43 HE21 GLN 43 37.817 3.984 9.860 326 2HE2 GLN 43 HE22 GLN 43 37.017 3.716 11.332 327 H HIS 44 HN HIS 44 39.057 4.405 4.956 328 HA HIS 44 HA HIS 44 40.603 5.386 7.299 329 1HB HIS 44 HB1 HIS 44 42.484 3.957 5.866 330 2HB HIS 44 HB2 HIS 44 41.051 2.942 5.708 331 HD1 HIS 44 HD1 HIS 44 43.382 4.396 8.277 332 HD2 HIS 44 HD2 HIS 44 40.179 1.729 8.109 333 HE1 HIS 44 HE1 HIS 44 43.261 3.283 10.542 334 H SER 45 HN SER 45 42.751 6.360 6.434 335 HA SER 45 HA SER 45 42.081 8.046 4.065 336 1HB SER 45 HB1 SER 45 42.849 9.459 5.713 337 2HB SER 45 HB2 SER 45 44.406 9.040 5.010 338 HG SER 45 HG SER 45 44.353 8.770 7.294 339 H TRP 46 HN TRP 46 43.473 8.141 2.234 340 HA TRP 46 HA TRP 46 44.666 5.790 1.272 341 1HB TRP 46 HB1 TRP 46 44.011 8.013 0.122 342 2HB TRP 46 HB2 TRP 46 45.442 7.193 -0.502 343 HD1 TRP 46 HD1 TRP 46 44.324 10.434 0.989 344 HE1 TRP 46 HE1 TRP 46 46.364 11.972 1.360 345 HE3 TRP 46 HE3 TRP 46 48.089 7.089 0.210 346 HZ2 TRP 46 HZ2 TRP 46 49.231 11.791 1.333 347 HZ3 TRP 46 HZ3 TRP 46 50.457 7.783 0.391 348 HH2 TRP 46 HH2 TRP 46 51.034 10.122 0.953 349 H GLN 47 HN GLN 47 46.061 8.288 3.317 350 HA GLN 47 HA GLN 47 48.831 7.546 3.092 351 1HB GLN 47 HB1 GLN 47 47.828 8.632 5.661 352 2HB GLN 47 HB2 GLN 47 47.360 9.552 4.231 353 1HG GLN 47 HG1 GLN 47 49.654 9.841 3.572 354 2HG GLN 47 HG2 GLN 47 50.209 8.683 4.782 355 1HE2 GLN 47 HE21 GLN 47 47.988 11.534 4.933 356 2HE2 GLN 47 HE22 GLN 47 48.790 12.271 6.235 357 H SER 48 HN SER 48 46.251 6.569 5.358 358 HA SER 48 HA SER 48 47.816 4.984 7.133 359 1HB SER 48 HB1 SER 48 45.031 4.219 6.286 360 2HB SER 48 HB2 SER 48 45.295 5.761 7.093 361 HG SER 48 HG SER 48 45.537 4.754 8.895 362 H LEU 49 HN LEU 49 45.734 3.737 4.493 363 HA LEU 49 HA LEU 49 46.803 1.106 4.458 364 1HB LEU 49 HB1 LEU 49 44.761 1.443 3.334 365 2HB LEU 49 HB2 LEU 49 45.906 1.149 2.033 366 HG LEU 49 HG LEU 49 45.948 3.953 2.510 367 1HD1 LEU 49 HD11 LEU 49 44.397 3.508 0.222 368 2HD1 LEU 49 HD12 LEU 49 45.410 2.071 0.350 369 3HD1 LEU 49 HD13 LEU 49 46.151 3.668 0.283 370 1HD2 LEU 49 HD21 LEU 49 43.181 2.730 2.526 371 2HD2 LEU 49 HD22 LEU 49 43.463 4.382 1.980 372 3HD2 LEU 49 HD23 LEU 49 43.847 3.924 3.638 373 H LYS 50 HN LYS 50 48.194 4.062 3.238 374 HA LYS 50 HA LYS 50 50.049 2.748 1.379 375 1HB LYS 50 HB1 LYS 50 50.205 5.508 2.641 376 2HB LYS 50 HB2 LYS 50 49.176 5.142 1.257 377 1HG LYS 50 HG1 LYS 50 51.136 5.912 0.234 378 2HG LYS 50 HG2 LYS 50 51.364 4.164 0.214 379 1HD LYS 50 HD1 LYS 50 52.948 4.218 1.920 380 2HD LYS 50 HD2 LYS 50 52.329 5.729 2.586 381 1HE LYS 50 HE1 LYS 50 53.232 6.193 -0.124 382 2HE LYS 50 HE2 LYS 50 54.523 5.409 0.807 383 1HZ LYS 50 HZ1 LYS 50 52.903 7.717 1.764 384 2HZ LYS 50 HZ2 LYS 50 54.454 7.860 1.086 385 3HZ LYS 50 HZ3 LYS 50 54.238 7.024 2.549 386 H ASP 51 HN ASP 51 50.254 4.239 4.613 387 HA ASP 51 HA ASP 51 53.028 3.623 5.084 388 1HB ASP 51 HB1 ASP 51 50.768 3.972 7.080 389 2HB ASP 51 HB2 ASP 51 51.561 5.316 6.255 390 H ARG 52 HN ARG 52 50.008 1.852 5.660 391 HA ARG 52 HA ARG 52 51.091 -0.224 7.323 392 1HB ARG 52 HB1 ARG 52 48.921 -1.068 5.564 393 2HB ARG 52 HB2 ARG 52 48.622 0.540 6.221 394 1HG ARG 52 HG1 ARG 52 47.713 -1.166 7.731 395 2HG ARG 52 HG2 ARG 52 49.059 -0.334 8.505 396 1HD ARG 52 HD1 ARG 52 50.299 -2.253 8.620 397 2HD ARG 52 HD2 ARG 52 49.890 -2.712 6.954 398 HE ARG 52 HE ARG 52 47.773 -3.633 7.810 399 1HH1 ARG 52 HH11 ARG 52 48.273 -1.716 10.332 400 2HH1 ARG 52 HH12 ARG 52 48.320 -2.932 11.564 401 1HH2 ARG 52 HH21 ARG 52 48.596 -5.566 9.328 402 2HH2 ARG 52 HH22 ARG 52 48.502 -5.111 10.996 403 H TYR 53 HN TYR 53 50.786 0.121 3.791 404 HA TYR 53 HA TYR 53 51.565 -2.511 3.022 405 1HB TYR 53 HB1 TYR 53 52.393 -0.024 1.539 406 2HB TYR 53 HB2 TYR 53 50.685 -0.438 1.685 407 HD1 TYR 53 HD1 TYR 53 53.634 -0.932 -0.219 408 HD2 TYR 53 HD2 TYR 53 50.089 -2.953 1.120 409 HE1 TYR 53 HE1 TYR 53 53.883 -2.584 -2.052 410 HE2 TYR 53 HE2 TYR 53 50.338 -4.605 -0.713 411 HH TYR 53 HH TYR 53 52.065 -5.490 -2.164 412 H LEU 54 HN LEU 54 53.524 0.396 3.683 413 HA LEU 54 HA LEU 54 56.057 -1.021 3.206 414 1HB LEU 54 HB1 LEU 54 56.982 1.181 3.906 415 2HB LEU 54 HB2 LEU 54 55.357 1.698 4.357 416 HG LEU 54 HG LEU 54 54.649 1.211 1.975 417 1HD1 LEU 54 HD11 LEU 54 55.330 3.495 2.898 418 2HD1 LEU 54 HD12 LEU 54 55.435 3.311 1.147 419 3HD1 LEU 54 HD13 LEU 54 56.896 3.231 2.132 420 1HD2 LEU 54 HD21 LEU 54 57.535 0.494 1.866 421 2HD2 LEU 54 HD22 LEU 54 56.904 1.397 0.490 422 3HD2 LEU 54 HD23 LEU 54 56.181 -0.148 0.937 423 H LYS 55 HN LYS 55 53.976 -0.274 5.928 424 HA LYS 55 HA LYS 55 55.775 -0.435 8.111 425 1HB LYS 55 HB1 LYS 55 53.531 -1.552 9.103 426 2HB LYS 55 HB2 LYS 55 52.889 -0.935 7.582 427 1HG LYS 55 HG1 LYS 55 52.603 0.897 9.018 428 2HG LYS 55 HG2 LYS 55 54.149 1.265 8.253 429 1HD LYS 55 HD1 LYS 55 54.986 -0.261 10.350 430 2HD LYS 55 HD2 LYS 55 53.553 0.489 11.054 431 1HE LYS 55 HE1 LYS 55 54.522 2.716 10.104 432 2HE LYS 55 HE2 LYS 55 56.049 1.816 9.988 433 1HZ LYS 55 HZ1 LYS 55 55.665 2.928 12.181 434 2HZ LYS 55 HZ2 LYS 55 55.900 1.249 12.289 435 3HZ LYS 55 HZ3 LYS 55 54.337 1.901 12.421 436 H HIS 56 HN HIS 56 53.920 -3.095 6.563 437 HA HIS 56 HA HIS 56 56.079 -4.985 6.986 438 1HB HIS 56 HB1 HIS 56 55.331 -4.797 9.281 439 2HB HIS 56 HB2 HIS 56 54.840 -6.365 8.661 440 HD1 HIS 56 HD1 HIS 56 53.178 -5.872 10.870 441 HD2 HIS 56 HD2 HIS 56 52.313 -3.965 7.270 442 HE1 HIS 56 HE1 HIS 56 50.743 -5.201 10.984 443 H LEU 57 HN LEU 57 54.715 -4.414 4.649 444 HA LEU 57 HA LEU 57 53.207 -6.970 4.186 445 1HB LEU 57 HB1 LEU 57 51.755 -5.658 2.632 446 2HB LEU 57 HB2 LEU 57 52.595 -4.193 3.123 447 HG LEU 57 HG LEU 57 51.881 -4.596 5.468 448 1HD1 LEU 57 HD11 LEU 57 50.376 -3.131 4.528 449 2HD1 LEU 57 HD12 LEU 57 49.279 -4.484 4.806 450 3HD1 LEU 57 HD13 LEU 57 49.976 -4.228 3.207 451 1HD2 LEU 57 HD21 LEU 57 49.875 -6.326 5.541 452 2HD2 LEU 57 HD22 LEU 57 51.537 -6.885 5.733 453 3HD2 LEU 57 HD23 LEU 57 50.726 -7.045 4.174 454 H ARG 58 HN ARG 58 54.903 -4.234 2.618 455 HA ARG 58 HA ARG 58 55.578 -5.874 0.259 456 1HB ARG 58 HB1 ARG 58 56.365 -3.061 1.093 457 2HB ARG 58 HB2 ARG 58 54.924 -3.468 0.161 458 1HG ARG 58 HG1 ARG 58 56.169 -4.092 -1.724 459 2HG ARG 58 HG2 ARG 58 57.630 -4.382 -0.782 460 1HD ARG 58 HD1 ARG 58 56.846 -1.616 -0.467 461 2HD ARG 58 HD2 ARG 58 56.937 -2.012 -2.194 462 HE ARG 58 HE ARG 58 59.201 -3.195 -1.277 463 1HH1 ARG 58 HH11 ARG 58 59.918 -1.960 1.027 464 2HH1 ARG 58 HH12 ARG 58 60.499 -0.379 0.625 465 1HH2 ARG 58 HH21 ARG 58 59.043 -0.352 -2.520 466 2HH2 ARG 58 HH22 ARG 58 60.006 0.530 -1.382 467 H GLY 59 HN GLY 59 57.455 -4.006 2.678 468 1HA GLY 59 HA1 GLY 59 60.038 -4.645 2.147 469 2HA GLY 59 HA2 GLY 59 59.456 -6.159 2.840 Start of MODEL 3 1 1H GLY 1 HT1 GLY 1 46.770 5.480 17.467 2 2H GLY 1 HT2 GLY 1 45.368 4.610 17.870 3 3H GLY 1 HT3 GLY 1 46.251 5.410 19.081 4 1HA GLY 1 HA1 GLY 1 45.736 7.553 17.997 5 2HA GLY 1 HA2 GLY 1 44.316 6.702 18.604 6 H ARG 2 HN ARG 2 46.285 6.201 15.661 7 HA ARG 2 HA ARG 2 44.379 7.296 13.808 8 1HB ARG 2 HB1 ARG 2 45.759 6.020 12.165 9 2HB ARG 2 HB2 ARG 2 46.533 5.175 13.506 10 1HG ARG 2 HG1 ARG 2 47.208 7.458 14.401 11 2HG ARG 2 HG2 ARG 2 46.657 8.133 12.867 12 1HD ARG 2 HD1 ARG 2 48.226 6.503 11.703 13 2HD ARG 2 HD2 ARG 2 48.889 6.120 13.304 14 HE ARG 2 HE ARG 2 49.020 8.823 13.344 15 1HH1 ARG 2 HH11 ARG 2 48.757 8.299 10.243 16 2HH1 ARG 2 HH12 ARG 2 50.413 8.513 9.783 17 1HH2 ARG 2 HH21 ARG 2 51.610 8.351 13.035 18 2HH2 ARG 2 HH22 ARG 2 52.030 8.543 11.364 19 H ILE 3 HN ILE 3 43.355 5.792 12.060 20 HA ILE 3 HA ILE 3 41.403 4.087 13.272 21 HB ILE 3 HB ILE 3 41.160 5.275 11.110 22 1HG1 ILE 3 HG11 ILE 3 39.948 3.062 11.719 23 2HG1 ILE 3 HG12 ILE 3 41.016 2.320 10.529 24 1HG2 ILE 3 HG21 ILE 3 43.432 5.003 10.246 25 2HG2 ILE 3 HG22 ILE 3 42.278 4.335 9.094 26 3HG2 ILE 3 HG23 ILE 3 43.205 3.257 10.137 27 1HD1 ILE 3 HD11 ILE 3 40.233 4.055 8.870 28 2HD1 ILE 3 HD12 ILE 3 39.043 4.575 10.063 29 3HD1 ILE 3 HD13 ILE 3 38.969 2.943 9.397 30 H ALA 4 HN ALA 4 41.222 1.744 13.140 31 HA ALA 4 HA ALA 4 43.872 0.384 13.192 32 1HB ALA 4 HB1 ALA 4 41.264 0.163 14.522 33 2HB ALA 4 HB2 ALA 4 42.856 -0.340 15.091 34 3HB ALA 4 HB3 ALA 4 41.922 -1.399 14.032 35 H PHE 5 HN PHE 5 44.041 -1.763 12.187 36 HA PHE 5 HA PHE 5 42.344 -2.025 9.725 37 1HB PHE 5 HB1 PHE 5 44.553 -3.249 8.985 38 2HB PHE 5 HB2 PHE 5 45.270 -2.382 10.342 39 HD1 PHE 5 HD1 PHE 5 43.065 -1.796 7.364 40 HD2 PHE 5 HD2 PHE 5 46.044 -0.202 10.016 41 HE1 PHE 5 HE1 PHE 5 43.201 0.259 5.978 42 HE2 PHE 5 HE2 PHE 5 46.179 1.851 8.632 43 HZ PHE 5 HZ PHE 5 44.758 2.081 6.614 44 H THR 6 HN THR 6 41.202 -3.926 9.606 45 HA THR 6 HA THR 6 41.864 -6.096 11.551 46 HB THR 6 HB THR 6 39.453 -6.782 10.592 47 HG1 THR 6 HG1 THR 6 39.391 -3.963 10.396 48 1HG2 THR 6 HG21 THR 6 39.755 -4.469 12.516 49 2HG2 THR 6 HG22 THR 6 40.149 -6.134 12.943 50 3HG2 THR 6 HG23 THR 6 38.496 -5.704 12.506 51 H ASP 7 HN ASP 7 40.869 -8.307 10.422 52 HA ASP 7 HA ASP 7 42.799 -9.049 8.425 53 1HB ASP 7 HB1 ASP 7 41.394 -11.135 8.364 54 2HB ASP 7 HB2 ASP 7 40.205 -10.309 9.372 55 H ALA 8 HN ALA 8 39.320 -8.280 8.217 56 HA ALA 8 HA ALA 8 38.949 -8.833 5.444 57 1HB ALA 8 HB1 ALA 8 37.574 -7.546 7.653 58 2HB ALA 8 HB2 ALA 8 36.888 -8.356 6.246 59 3HB ALA 8 HB3 ALA 8 37.309 -6.646 6.160 60 H ASP 9 HN ASP 9 40.056 -5.874 7.095 61 HA ASP 9 HA ASP 9 40.087 -4.143 4.812 62 1HB ASP 9 HB1 ASP 9 41.732 -2.878 6.268 63 2HB ASP 9 HB2 ASP 9 41.701 -4.248 7.378 64 H ASP 10 HN ASP 10 42.621 -6.244 6.201 65 HA ASP 10 HA ASP 10 44.761 -5.521 4.469 66 1HB ASP 10 HB1 ASP 10 45.286 -8.100 5.034 67 2HB ASP 10 HB2 ASP 10 43.979 -7.831 6.187 68 H VAL 11 HN VAL 11 42.312 -8.111 4.111 69 HA VAL 11 HA VAL 11 43.268 -9.231 1.675 70 HB VAL 11 HB VAL 11 40.443 -8.925 2.758 71 1HG1 VAL 11 HG11 VAL 11 40.126 -11.104 1.444 72 2HG1 VAL 11 HG12 VAL 11 41.634 -10.706 0.622 73 3HG1 VAL 11 HG13 VAL 11 40.244 -9.628 0.485 74 1HG2 VAL 11 HG21 VAL 11 42.599 -11.017 3.149 75 2HG2 VAL 11 HG22 VAL 11 40.910 -11.279 3.581 76 3HG2 VAL 11 HG23 VAL 11 41.842 -10.019 4.388 77 H ALA 12 HN ALA 12 40.683 -6.784 2.124 78 HA ALA 12 HA ALA 12 40.225 -6.239 -0.633 79 1HB ALA 12 HB1 ALA 12 40.018 -4.348 1.731 80 2HB ALA 12 HB2 ALA 12 38.823 -5.588 1.351 81 3HB ALA 12 HB3 ALA 12 39.101 -4.257 0.228 82 H ILE 13 HN ILE 13 42.240 -4.384 1.692 83 HA ILE 13 HA ILE 13 43.292 -2.538 -0.223 84 HB ILE 13 HB ILE 13 44.434 -3.602 2.383 85 1HG1 ILE 13 HG11 ILE 13 42.087 -2.527 2.332 86 2HG1 ILE 13 HG12 ILE 13 42.920 -1.028 1.929 87 1HG2 ILE 13 HG21 ILE 13 46.051 -2.363 0.863 88 2HG2 ILE 13 HG22 ILE 13 45.803 -1.626 2.446 89 3HG2 ILE 13 HG23 ILE 13 45.002 -0.955 1.025 90 1HD1 ILE 13 HD11 ILE 13 42.738 -0.998 4.297 91 2HD1 ILE 13 HD12 ILE 13 44.396 -1.512 3.987 92 3HD1 ILE 13 HD13 ILE 13 43.172 -2.702 4.431 93 H LEU 14 HN LEU 14 44.328 -5.788 0.729 94 HA LEU 14 HA LEU 14 46.905 -5.699 -0.595 95 1HB LEU 14 HB1 LEU 14 45.075 -7.969 0.255 96 2HB LEU 14 HB2 LEU 14 46.370 -7.254 1.215 97 HG LEU 14 HG LEU 14 46.770 -8.640 -1.453 98 1HD1 LEU 14 HD11 LEU 14 48.595 -7.207 -1.223 99 2HD1 LEU 14 HD12 LEU 14 49.191 -8.648 -0.399 100 3HD1 LEU 14 HD13 LEU 14 48.569 -7.290 0.538 101 1HD2 LEU 14 HD21 LEU 14 46.565 -9.666 1.302 102 2HD2 LEU 14 HD22 LEU 14 48.051 -10.146 0.485 103 3HD2 LEU 14 HD23 LEU 14 46.488 -10.535 -0.229 104 H THR 15 HN THR 15 43.936 -7.517 -1.493 105 HA THR 15 HA THR 15 44.682 -8.281 -4.096 106 HB THR 15 HB THR 15 41.894 -7.387 -3.353 107 HG1 THR 15 HG1 THR 15 41.749 -9.450 -2.312 108 1HG2 THR 15 HG21 THR 15 42.349 -8.332 -5.616 109 2HG2 THR 15 HG22 THR 15 41.253 -9.338 -4.668 110 3HG2 THR 15 HG23 THR 15 42.945 -9.805 -4.849 111 H TYR 16 HN TYR 16 43.068 -5.248 -3.084 112 HA TYR 16 HA TYR 16 42.677 -4.097 -5.661 113 1HB TYR 16 HB1 TYR 16 43.376 -2.740 -3.034 114 2HB TYR 16 HB2 TYR 16 41.762 -3.299 -3.473 115 HD1 TYR 16 HD1 TYR 16 40.336 -1.949 -4.782 116 HD2 TYR 16 HD2 TYR 16 44.530 -1.041 -4.583 117 HE1 TYR 16 HE1 TYR 16 39.936 0.170 -6.004 118 HE2 TYR 16 HE2 TYR 16 44.129 1.080 -5.807 119 HH TYR 16 HH TYR 16 42.454 2.024 -7.345 120 H VAL 17 HN VAL 17 45.466 -3.900 -3.446 121 HA VAL 17 HA VAL 17 47.069 -2.151 -5.080 122 HB VAL 17 HB VAL 17 47.690 -4.192 -2.916 123 1HG1 VAL 17 HG11 VAL 17 49.819 -3.956 -3.774 124 2HG1 VAL 17 HG12 VAL 17 49.773 -2.520 -2.752 125 3HG1 VAL 17 HG13 VAL 17 49.473 -2.379 -4.484 126 1HG2 VAL 17 HG21 VAL 17 46.258 -2.013 -2.573 127 2HG2 VAL 17 HG22 VAL 17 47.822 -1.202 -2.648 128 3HG2 VAL 17 HG23 VAL 17 47.518 -2.419 -1.409 129 H LYS 18 HN LYS 18 47.150 -5.717 -4.654 130 HA LYS 18 HA LYS 18 49.156 -6.173 -6.679 131 1HB LYS 18 HB1 LYS 18 47.056 -8.174 -5.879 132 2HB LYS 18 HB2 LYS 18 48.232 -7.616 -4.688 133 1HG LYS 18 HG1 LYS 18 49.983 -8.155 -6.564 134 2HG LYS 18 HG2 LYS 18 48.693 -9.159 -7.228 135 1HD LYS 18 HD1 LYS 18 48.518 -10.358 -5.082 136 2HD LYS 18 HD2 LYS 18 49.790 -9.341 -4.404 137 1HE LYS 18 HE1 LYS 18 51.431 -10.558 -5.423 138 2HE LYS 18 HE2 LYS 18 50.541 -10.619 -6.958 139 1HZ LYS 18 HZ1 LYS 18 50.579 -12.814 -6.042 140 2HZ LYS 18 HZ2 LYS 18 49.002 -12.214 -5.838 141 3HZ LYS 18 HZ3 LYS 18 50.074 -12.262 -4.520 142 H GLU 19 HN GLU 19 45.754 -5.504 -6.901 143 HA GLU 19 HA GLU 19 45.341 -6.853 -9.470 144 1HB GLU 19 HB1 GLU 19 43.255 -5.150 -9.180 145 2HB GLU 19 HB2 GLU 19 43.829 -5.200 -7.514 146 1HG GLU 19 HG1 GLU 19 43.258 -7.413 -7.250 147 2HG GLU 19 HG2 GLU 19 43.634 -7.813 -8.926 148 H ASN 20 HN ASN 20 46.264 -3.629 -8.378 149 HA ASN 20 HA ASN 20 46.358 -2.743 -11.253 150 1HB ASN 20 HB1 ASN 20 45.643 -0.584 -10.558 151 2HB ASN 20 HB2 ASN 20 46.042 -0.903 -8.877 152 1HD2 ASN 20 HD21 ASN 20 44.186 -1.099 -7.654 153 2HD2 ASN 20 HD22 ASN 20 42.742 -1.831 -8.166 154 H ALA 21 HN ALA 21 47.774 -2.256 -8.015 155 HA ALA 21 HA ALA 21 50.089 -0.799 -8.913 156 1HB ALA 21 HB1 ALA 21 50.290 -0.576 -6.670 157 2HB ALA 21 HB2 ALA 21 50.482 -2.315 -6.460 158 3HB ALA 21 HB3 ALA 21 48.871 -1.605 -6.501 159 H ARG 22 HN ARG 22 50.615 -2.302 -10.781 160 HA ARG 22 HA ARG 22 52.284 -4.623 -9.864 161 1HB ARG 22 HB1 ARG 22 51.130 -4.280 -12.628 162 2HB ARG 22 HB2 ARG 22 50.123 -4.891 -11.316 163 1HG ARG 22 HG1 ARG 22 50.969 -6.926 -11.860 164 2HG ARG 22 HG2 ARG 22 52.427 -6.389 -11.030 165 1HD ARG 22 HD1 ARG 22 52.531 -5.295 -13.666 166 2HD ARG 22 HD2 ARG 22 52.092 -7.006 -13.823 167 HE ARG 22 HE ARG 22 54.235 -6.497 -11.884 168 1HH1 ARG 22 HH11 ARG 22 53.622 -8.842 -13.888 169 2HH1 ARG 22 HH12 ARG 22 55.047 -8.758 -14.868 170 1HH2 ARG 22 HH21 ARG 22 55.988 -5.632 -13.702 171 2HH2 ARG 22 HH22 ARG 22 56.385 -6.941 -14.763 172 H SER 23 HN SER 23 53.022 -1.727 -10.176 173 HA SER 23 HA SER 23 55.392 -2.128 -11.916 174 1HB SER 23 HB1 SER 23 53.452 -1.214 -13.264 175 2HB SER 23 HB2 SER 23 54.868 -0.167 -13.243 176 HG SER 23 HG SER 23 52.545 0.611 -12.648 177 HA PRO 24 HA PRO 24 57.205 0.363 -8.754 178 1HB PRO 24 HB1 PRO 24 59.276 -0.041 -9.698 179 2HB PRO 24 HB2 PRO 24 59.189 1.687 -10.094 180 1HG PRO 24 HG1 PRO 24 59.515 -0.206 -11.969 181 2HG PRO 24 HG2 PRO 24 58.604 1.280 -12.273 182 1HD PRO 24 HD1 PRO 24 57.634 -1.494 -11.900 183 2HD PRO 24 HD2 PRO 24 56.904 -0.148 -12.802 184 H SER 25 HN SER 25 54.935 1.579 -9.165 185 HA SER 25 HA SER 25 55.541 4.452 -9.143 186 1HB SER 25 HB1 SER 25 53.865 4.814 -11.053 187 2HB SER 25 HB2 SER 25 54.020 3.088 -11.377 188 HG SER 25 HG SER 25 55.554 4.007 -12.614 189 H SER 26 HN SER 26 52.773 2.236 -9.698 190 HA SER 26 HA SER 26 50.833 3.755 -8.253 191 1HB SER 26 HB1 SER 26 49.768 1.376 -8.115 192 2HB SER 26 HB2 SER 26 51.174 0.866 -9.044 193 HG SER 26 HG SER 26 49.239 1.562 -10.257 194 H VAL 27 HN VAL 27 53.234 1.394 -7.190 195 HA VAL 27 HA VAL 27 52.133 1.364 -4.433 196 HB VAL 27 HB VAL 27 53.883 -0.369 -4.115 197 1HG1 VAL 27 HG11 VAL 27 52.949 -2.012 -5.682 198 2HG1 VAL 27 HG12 VAL 27 52.292 -0.710 -6.675 199 3HG1 VAL 27 HG13 VAL 27 51.671 -0.977 -5.046 200 1HG2 VAL 27 HG21 VAL 27 55.213 0.938 -6.153 201 2HG2 VAL 27 HG22 VAL 27 54.592 -0.493 -6.976 202 3HG2 VAL 27 HG23 VAL 27 55.619 -0.670 -5.554 203 H THR 28 HN THR 28 53.890 3.614 -5.980 204 HA THR 28 HA THR 28 55.290 4.446 -3.518 205 HB THR 28 HB THR 28 56.824 4.076 -6.100 206 HG1 THR 28 HG1 THR 28 57.197 2.076 -5.561 207 1HG2 THR 28 HG21 THR 28 57.955 5.579 -4.670 208 2HG2 THR 28 HG22 THR 28 58.719 4.021 -4.349 209 3HG2 THR 28 HG23 THR 28 57.519 4.663 -3.226 210 H GLY 29 HN GLY 29 53.134 5.448 -5.380 211 1HA GLY 29 HA1 GLY 29 53.436 7.362 -7.160 212 2HA GLY 29 HA2 GLY 29 54.332 8.133 -5.853 213 H ASN 30 HN ASN 30 52.175 6.605 -4.057 214 HA ASN 30 HA ASN 30 50.123 7.177 -3.044 215 1HB ASN 30 HB1 ASN 30 49.849 9.635 -2.797 216 2HB ASN 30 HB2 ASN 30 51.074 9.882 -4.040 217 1HD2 ASN 30 HD21 ASN 30 52.010 11.072 -1.949 218 2HD2 ASN 30 HD22 ASN 30 53.041 10.133 -0.983 219 H ALA 31 HN ALA 31 50.214 6.642 -6.093 220 HA ALA 31 HA ALA 31 47.954 8.272 -7.085 221 1HB ALA 31 HB1 ALA 31 50.091 6.547 -8.128 222 2HB ALA 31 HB2 ALA 31 49.273 7.904 -8.901 223 3HB ALA 31 HB3 ALA 31 48.548 6.297 -8.942 224 H LEU 32 HN LEU 32 48.582 4.753 -7.168 225 HA LEU 32 HA LEU 32 45.879 3.921 -7.390 226 1HB LEU 32 HB1 LEU 32 47.785 2.251 -5.820 227 2HB LEU 32 HB2 LEU 32 48.325 2.756 -7.423 228 HG LEU 32 HG LEU 32 45.533 1.753 -7.245 229 1HD1 LEU 32 HD11 LEU 32 47.082 2.453 -9.291 230 2HD1 LEU 32 HD12 LEU 32 45.928 1.126 -9.440 231 3HD1 LEU 32 HD13 LEU 32 47.632 0.783 -9.144 232 1HD2 LEU 32 HD21 LEU 32 47.651 -0.334 -7.410 233 2HD2 LEU 32 HD22 LEU 32 46.009 -0.453 -6.783 234 3HD2 LEU 32 HD23 LEU 32 47.274 0.296 -5.809 235 H TRP 33 HN TRP 33 47.745 4.887 -4.576 236 HA TRP 33 HA TRP 33 45.928 3.808 -2.575 237 1HB TRP 33 HB1 TRP 33 47.363 5.033 -1.044 238 2HB TRP 33 HB2 TRP 33 47.934 6.081 -2.340 239 HD1 TRP 33 HD1 TRP 33 49.978 5.307 -3.685 240 HE1 TRP 33 HE1 TRP 33 51.413 3.169 -3.755 241 HE3 TRP 33 HE3 TRP 33 47.184 2.269 -0.676 242 HZ2 TRP 33 HZ2 TRP 33 51.375 0.523 -2.690 243 HZ3 TRP 33 HZ3 TRP 33 47.912 -0.057 -0.221 244 HH2 TRP 33 HH2 TRP 33 50.002 -0.933 -1.223 245 H LYS 34 HN LYS 34 46.583 7.143 -3.746 246 HA LYS 34 HA LYS 34 44.462 8.453 -2.361 247 1HB LYS 34 HB1 LYS 34 44.722 9.944 -4.575 248 2HB LYS 34 HB2 LYS 34 46.131 8.910 -4.803 249 1HG LYS 34 HG1 LYS 34 46.916 10.784 -3.561 250 2HG LYS 34 HG2 LYS 34 46.748 9.485 -2.381 251 1HD LYS 34 HD1 LYS 34 44.697 10.382 -1.548 252 2HD LYS 34 HD2 LYS 34 44.535 11.477 -2.921 253 1HE LYS 34 HE1 LYS 34 47.038 11.777 -1.346 254 2HE LYS 34 HE2 LYS 34 45.542 12.264 -0.522 255 1HZ LYS 34 HZ1 LYS 34 44.965 13.648 -2.359 256 2HZ LYS 34 HZ2 LYS 34 46.241 13.048 -3.305 257 3HZ LYS 34 HZ3 LYS 34 46.568 14.025 -1.954 258 H ALA 35 HN ALA 35 44.544 6.790 -5.496 259 HA ALA 35 HA ALA 35 41.966 7.478 -6.480 260 1HB ALA 35 HB1 ALA 35 42.549 5.976 -8.101 261 2HB ALA 35 HB2 ALA 35 42.898 4.706 -6.928 262 3HB ALA 35 HB3 ALA 35 44.103 5.948 -7.267 263 H MET 36 HN MET 36 42.982 4.951 -4.198 264 HA MET 36 HA MET 36 40.508 3.528 -3.995 265 1HB MET 36 HB1 MET 36 41.804 3.577 -1.462 266 2HB MET 36 HB2 MET 36 43.080 3.706 -2.670 267 1HG MET 36 HG1 MET 36 42.708 1.601 -3.479 268 2HG MET 36 HG2 MET 36 40.965 1.706 -3.247 269 1HE MET 36 HE1 MET 36 43.870 -0.511 -1.892 270 2HE MET 36 HE2 MET 36 44.293 0.467 -0.490 271 3HE MET 36 HE3 MET 36 44.308 1.190 -2.097 272 H GLU 37 HN GLU 37 41.787 6.267 -2.090 273 HA GLU 37 HA GLU 37 39.642 6.611 -0.271 274 1HB GLU 37 HB1 GLU 37 41.382 8.692 -1.640 275 2HB GLU 37 HB2 GLU 37 41.843 7.756 -0.217 276 1HG GLU 37 HG1 GLU 37 40.193 8.807 1.134 277 2HG GLU 37 HG2 GLU 37 39.344 9.455 -0.269 278 H LYS 38 HN LYS 38 39.912 7.513 -3.665 279 HA LYS 38 HA LYS 38 37.503 9.191 -3.650 280 1HB LYS 38 HB1 LYS 38 38.560 8.139 -6.201 281 2HB LYS 38 HB2 LYS 38 39.770 8.939 -5.196 282 1HG LYS 38 HG1 LYS 38 37.743 10.711 -4.954 283 2HG LYS 38 HG2 LYS 38 37.379 10.072 -6.556 284 1HD LYS 38 HD1 LYS 38 38.853 11.951 -6.862 285 2HD LYS 38 HD2 LYS 38 39.805 10.496 -7.162 286 1HE LYS 38 HE1 LYS 38 41.172 10.919 -5.382 287 2HE LYS 38 HE2 LYS 38 39.803 11.330 -4.329 288 1HZ LYS 38 HZ1 LYS 38 39.660 13.474 -5.326 289 2HZ LYS 38 HZ2 LYS 38 40.784 13.071 -6.534 290 3HZ LYS 38 HZ3 LYS 38 41.289 13.244 -4.921 291 H SER 39 HN SER 39 38.341 5.838 -4.372 292 HA SER 39 HA SER 39 35.497 5.096 -4.409 293 1HB SER 39 HB1 SER 39 37.027 4.354 -6.869 294 2HB SER 39 HB2 SER 39 36.445 6.012 -6.738 295 HG SER 39 HG SER 39 34.895 3.653 -6.528 296 H SER 40 HN SER 40 36.716 3.961 -2.536 297 HA SER 40 HA SER 40 38.077 1.471 -3.507 298 1HB SER 40 HB1 SER 40 39.526 2.726 -2.106 299 2HB SER 40 HB2 SER 40 38.862 1.490 -1.043 300 HG SER 40 HG SER 40 37.268 3.030 -0.405 301 H LEU 41 HN LEU 41 37.762 -0.196 -1.418 302 HA LEU 41 HA LEU 41 34.789 -0.506 -1.153 303 1HB LEU 41 HB1 LEU 41 36.605 -2.807 -0.721 304 2HB LEU 41 HB2 LEU 41 36.649 -2.123 -2.346 305 HG LEU 41 HG LEU 41 33.956 -2.185 -1.892 306 1HD1 LEU 41 HD11 LEU 41 35.424 -4.627 -2.886 307 2HD1 LEU 41 HD12 LEU 41 35.435 -3.115 -3.794 308 3HD1 LEU 41 HD13 LEU 41 33.909 -3.942 -3.476 309 1HD2 LEU 41 HD21 LEU 41 33.319 -3.756 -0.382 310 2HD2 LEU 41 HD22 LEU 41 34.967 -3.672 0.235 311 3HD2 LEU 41 HD23 LEU 41 34.530 -4.906 -0.947 312 H THR 42 HN THR 42 37.896 -0.640 0.524 313 HA THR 42 HA THR 42 36.740 -1.446 3.100 314 HB THR 42 HB THR 42 39.462 -0.355 2.316 315 HG1 THR 42 HG1 THR 42 39.793 -2.256 1.530 316 1HG2 THR 42 HG21 THR 42 39.714 -0.312 4.572 317 2HG2 THR 42 HG22 THR 42 39.816 -2.068 4.432 318 3HG2 THR 42 HG23 THR 42 38.281 -1.304 4.845 319 H GLN 43 HN GLN 43 37.274 1.546 1.406 320 HA GLN 43 HA GLN 43 36.913 3.788 2.024 321 1HB GLN 43 HB1 GLN 43 35.612 2.861 4.559 322 2HB GLN 43 HB2 GLN 43 34.879 2.384 3.027 323 1HG GLN 43 HG1 GLN 43 34.658 4.694 2.344 324 2HG GLN 43 HG2 GLN 43 35.599 5.245 3.729 325 1HE2 GLN 43 HE21 GLN 43 34.571 5.024 5.898 326 2HE2 GLN 43 HE22 GLN 43 32.882 4.916 6.030 327 H HIS 44 HN HIS 44 39.204 4.076 2.410 328 HA HIS 44 HA HIS 44 39.826 4.641 5.258 329 1HB HIS 44 HB1 HIS 44 42.115 3.341 4.228 330 2HB HIS 44 HB2 HIS 44 40.750 2.358 3.696 331 HD1 HIS 44 HD1 HIS 44 42.704 3.291 6.695 332 HD2 HIS 44 HD2 HIS 44 39.104 1.358 5.873 333 HE1 HIS 44 HE1 HIS 44 42.023 2.124 8.831 334 H SER 45 HN SER 45 41.935 5.873 5.410 335 HA SER 45 HA SER 45 42.102 7.861 3.245 336 1HB SER 45 HB1 SER 45 42.476 8.982 5.199 337 2HB SER 45 HB2 SER 45 44.132 8.429 5.001 338 HG SER 45 HG SER 45 43.843 7.458 6.819 339 H TRP 46 HN TRP 46 43.594 7.826 1.620 340 HA TRP 46 HA TRP 46 45.148 5.631 0.891 341 1HB TRP 46 HB1 TRP 46 44.482 7.870 -0.293 342 2HB TRP 46 HB2 TRP 46 45.975 7.075 -0.779 343 HD1 TRP 46 HD1 TRP 46 44.665 10.235 0.825 344 HE1 TRP 46 HE1 TRP 46 46.644 11.831 1.282 345 HE3 TRP 46 HE3 TRP 46 48.554 7.084 -0.131 346 HZ2 TRP 46 HZ2 TRP 46 49.514 11.765 1.247 347 HZ3 TRP 46 HZ3 TRP 46 50.900 7.866 0.087 348 HH2 TRP 46 HH2 TRP 46 51.382 10.197 0.776 349 H GLN 47 HN GLN 47 46.126 8.338 2.976 350 HA GLN 47 HA GLN 47 48.905 7.760 3.229 351 1HB GLN 47 HB1 GLN 47 47.785 8.697 5.717 352 2HB GLN 47 HB2 GLN 47 46.910 9.457 4.391 353 1HG GLN 47 HG1 GLN 47 49.025 10.217 3.403 354 2HG GLN 47 HG2 GLN 47 49.928 9.410 4.686 355 1HE2 GLN 47 HE21 GLN 47 48.957 10.121 7.022 356 2HE2 GLN 47 HE22 GLN 47 48.745 11.795 7.202 357 H SER 48 HN SER 48 46.086 6.505 4.984 358 HA SER 48 HA SER 48 47.617 4.890 6.855 359 1HB SER 48 HB1 SER 48 44.746 4.513 5.971 360 2HB SER 48 HB2 SER 48 45.228 5.831 7.034 361 HG SER 48 HG SER 48 46.167 4.208 8.412 362 H LEU 49 HN LEU 49 46.333 4.426 3.614 363 HA LEU 49 HA LEU 49 46.591 1.508 3.631 364 1HB LEU 49 HB1 LEU 49 45.992 1.758 1.267 365 2HB LEU 49 HB2 LEU 49 46.339 3.484 1.335 366 HG LEU 49 HG LEU 49 44.532 3.762 3.003 367 1HD1 LEU 49 HD11 LEU 49 42.653 2.869 1.329 368 2HD1 LEU 49 HD12 LEU 49 44.050 2.648 0.275 369 3HD1 LEU 49 HD13 LEU 49 43.675 4.247 0.916 370 1HD2 LEU 49 HD21 LEU 49 44.349 1.691 4.113 371 2HD2 LEU 49 HD22 LEU 49 44.334 0.781 2.603 372 3HD2 LEU 49 HD23 LEU 49 42.914 1.709 3.086 373 H LYS 50 HN LYS 50 48.471 4.269 2.418 374 HA LYS 50 HA LYS 50 50.520 2.692 1.109 375 1HB LYS 50 HB1 LYS 50 51.064 5.423 2.187 376 2HB LYS 50 HB2 LYS 50 49.730 5.264 1.043 377 1HG LYS 50 HG1 LYS 50 51.435 5.539 -0.475 378 2HG LYS 50 HG2 LYS 50 51.582 3.796 -0.251 379 1HD LYS 50 HD1 LYS 50 53.782 4.500 0.102 380 2HD LYS 50 HD2 LYS 50 53.152 4.481 1.749 381 1HE LYS 50 HE1 LYS 50 54.037 6.626 1.738 382 2HE LYS 50 HE2 LYS 50 52.454 7.002 1.029 383 1HZ LYS 50 HZ1 LYS 50 54.195 7.843 -0.399 384 2HZ LYS 50 HZ2 LYS 50 53.442 6.530 -1.171 385 3HZ LYS 50 HZ3 LYS 50 54.960 6.328 -0.435 386 H ASP 51 HN ASP 51 50.371 4.384 4.258 387 HA ASP 51 HA ASP 51 52.987 3.724 5.176 388 1HB ASP 51 HB1 ASP 51 50.668 3.846 7.063 389 2HB ASP 51 HB2 ASP 51 50.984 5.259 6.054 390 H ARG 52 HN ARG 52 49.936 1.903 5.312 391 HA ARG 52 HA ARG 52 50.820 -0.166 7.092 392 1HB ARG 52 HB1 ARG 52 48.933 -1.018 5.029 393 2HB ARG 52 HB2 ARG 52 48.510 0.558 5.691 394 1HG ARG 52 HG1 ARG 52 47.462 -1.263 6.993 395 2HG ARG 52 HG2 ARG 52 48.615 -0.363 7.975 396 1HD ARG 52 HD1 ARG 52 49.858 -2.234 8.324 397 2HD ARG 52 HD2 ARG 52 49.930 -2.575 6.585 398 HE ARG 52 HE ARG 52 47.884 -3.848 6.802 399 1HH1 ARG 52 HH11 ARG 52 47.822 -1.777 9.432 400 2HH1 ARG 52 HH12 ARG 52 47.261 -2.953 10.573 401 1HH2 ARG 52 HH21 ARG 52 47.631 -5.630 8.399 402 2HH2 ARG 52 HH22 ARG 52 47.154 -5.133 9.989 403 H TYR 53 HN TYR 53 50.832 0.068 3.520 404 HA TYR 53 HA TYR 53 51.831 -2.509 2.919 405 1HB TYR 53 HB1 TYR 53 52.670 -0.026 1.437 406 2HB TYR 53 HB2 TYR 53 50.985 -0.547 1.433 407 HD1 TYR 53 HD1 TYR 53 50.774 -3.251 1.117 408 HD2 TYR 53 HD2 TYR 53 53.962 -0.778 -0.357 409 HE1 TYR 53 HE1 TYR 53 51.303 -4.959 -0.599 410 HE2 TYR 53 HE2 TYR 53 54.490 -2.487 -2.076 411 HH TYR 53 HH TYR 53 53.397 -4.332 -3.233 412 H LEU 54 HN LEU 54 53.507 0.390 4.009 413 HA LEU 54 HA LEU 54 56.177 -0.851 3.697 414 1HB LEU 54 HB1 LEU 54 56.767 1.436 4.759 415 2HB LEU 54 HB2 LEU 54 55.055 1.814 4.561 416 HG LEU 54 HG LEU 54 55.414 1.019 2.102 417 1HD1 LEU 54 HD11 LEU 54 56.229 3.588 3.397 418 2HD1 LEU 54 HD12 LEU 54 54.929 3.276 2.248 419 3HD1 LEU 54 HD13 LEU 54 56.598 3.379 1.686 420 1HD2 LEU 54 HD21 LEU 54 57.930 1.811 1.583 421 2HD2 LEU 54 HD22 LEU 54 57.533 0.131 1.945 422 3HD2 LEU 54 HD23 LEU 54 58.178 1.176 3.209 423 H LYS 55 HN LYS 55 53.854 -0.002 6.226 424 HA LYS 55 HA LYS 55 55.408 -0.202 8.558 425 1HB LYS 55 HB1 LYS 55 53.053 -1.322 9.314 426 2HB LYS 55 HB2 LYS 55 52.589 -0.643 7.756 427 1HG LYS 55 HG1 LYS 55 52.244 1.237 9.034 428 2HG LYS 55 HG2 LYS 55 53.973 1.452 8.749 429 1HD LYS 55 HD1 LYS 55 54.537 0.839 10.899 430 2HD LYS 55 HD2 LYS 55 53.169 -0.265 11.053 431 1HE LYS 55 HE1 LYS 55 52.425 1.459 12.429 432 2HE LYS 55 HE2 LYS 55 51.809 2.060 10.877 433 1HZ LYS 55 HZ1 LYS 55 54.008 3.162 10.584 434 2HZ LYS 55 HZ2 LYS 55 54.404 2.720 12.177 435 3HZ LYS 55 HZ3 LYS 55 53.112 3.783 11.883 436 H HIS 56 HN HIS 56 53.578 -2.921 7.051 437 HA HIS 56 HA HIS 56 55.749 -4.780 7.662 438 1HB HIS 56 HB1 HIS 56 54.764 -4.470 9.871 439 2HB HIS 56 HB2 HIS 56 54.409 -6.091 9.291 440 HD1 HIS 56 HD1 HIS 56 52.499 -5.414 11.323 441 HD2 HIS 56 HD2 HIS 56 51.951 -4.001 7.443 442 HE1 HIS 56 HE1 HIS 56 50.038 -4.866 11.103 443 H LEU 57 HN LEU 57 54.590 -4.293 5.189 444 HA LEU 57 HA LEU 57 52.995 -6.804 4.725 445 1HB LEU 57 HB1 LEU 57 52.000 -5.483 2.798 446 2HB LEU 57 HB2 LEU 57 52.826 -4.068 3.440 447 HG LEU 57 HG LEU 57 51.592 -4.257 5.541 448 1HD1 LEU 57 HD11 LEU 57 49.171 -4.216 4.423 449 2HD1 LEU 57 HD12 LEU 57 50.125 -4.172 2.941 450 3HD1 LEU 57 HD13 LEU 57 50.325 -2.912 4.156 451 1HD2 LEU 57 HD21 LEU 57 50.463 -6.754 4.249 452 2HD2 LEU 57 HD22 LEU 57 49.684 -5.960 5.618 453 3HD2 LEU 57 HD23 LEU 57 51.308 -6.628 5.793 454 H ARG 58 HN ARG 58 54.761 -4.386 2.756 455 HA ARG 58 HA ARG 58 55.643 -6.183 0.737 456 1HB ARG 58 HB1 ARG 58 56.954 -3.656 1.796 457 2HB ARG 58 HB2 ARG 58 55.622 -3.697 0.640 458 1HG ARG 58 HG1 ARG 58 58.246 -5.121 0.147 459 2HG ARG 58 HG2 ARG 58 57.964 -3.456 -0.360 460 1HD ARG 58 HD1 ARG 58 55.918 -4.272 -1.611 461 2HD ARG 58 HD2 ARG 58 56.433 -5.930 -1.239 462 HE ARG 58 HE ARG 58 58.463 -5.519 -2.553 463 1HH1 ARG 58 HH11 ARG 58 58.417 -2.490 -2.062 464 2HH1 ARG 58 HH12 ARG 58 58.051 -1.909 -3.651 465 1HH2 ARG 58 HH21 ARG 58 56.992 -4.994 -4.825 466 2HH2 ARG 58 HH22 ARG 58 57.246 -3.326 -5.217 467 H GLY 59 HN GLY 59 56.725 -8.054 1.339 468 1HA GLY 59 HA1 GLY 59 58.858 -7.930 3.387 469 2HA GLY 59 HA2 GLY 59 59.352 -8.380 1.754 Start of MODEL 4 1 1H GLY 1 HT1 GLY 1 42.722 9.492 15.503 2 2H GLY 1 HT2 GLY 1 43.660 10.393 16.596 3 3H GLY 1 HT3 GLY 1 43.606 8.699 16.714 4 1HA GLY 1 HA1 GLY 1 45.624 9.028 15.684 5 2HA GLY 1 HA2 GLY 1 45.000 10.382 14.739 6 H ARG 2 HN ARG 2 44.546 6.863 15.189 7 HA ARG 2 HA ARG 2 44.068 6.647 12.234 8 1HB ARG 2 HB1 ARG 2 44.974 4.305 12.642 9 2HB ARG 2 HB2 ARG 2 45.321 4.811 14.296 10 1HG ARG 2 HG1 ARG 2 46.410 6.870 12.795 11 2HG ARG 2 HG2 ARG 2 46.738 5.453 11.797 12 1HD ARG 2 HD1 ARG 2 48.529 5.101 13.167 13 2HD ARG 2 HD2 ARG 2 47.353 4.603 14.398 14 HE ARG 2 HE ARG 2 48.092 7.489 14.051 15 1HH1 ARG 2 HH11 ARG 2 49.722 7.709 15.890 16 2HH1 ARG 2 HH12 ARG 2 49.126 7.152 17.418 17 1HH2 ARG 2 HH21 ARG 2 46.442 5.438 16.046 18 2HH2 ARG 2 HH22 ARG 2 47.269 5.866 17.506 19 H ILE 3 HN ILE 3 42.888 4.342 11.870 20 HA ILE 3 HA ILE 3 40.523 4.259 13.721 21 HB ILE 3 HB ILE 3 40.676 3.813 10.716 22 1HG1 ILE 3 HG11 ILE 3 40.158 6.195 12.423 23 2HG1 ILE 3 HG12 ILE 3 39.067 5.972 11.056 24 1HG2 ILE 3 HG21 ILE 3 38.806 2.587 11.326 25 2HG2 ILE 3 HG22 ILE 3 38.079 4.188 11.174 26 3HG2 ILE 3 HG23 ILE 3 38.508 3.562 12.766 27 1HD1 ILE 3 HD11 ILE 3 41.759 5.468 10.174 28 2HD1 ILE 3 HD12 ILE 3 41.719 7.013 11.024 29 3HD1 ILE 3 HD13 ILE 3 40.650 6.736 9.651 30 H ALA 4 HN ALA 4 43.035 2.634 13.774 31 HA ALA 4 HA ALA 4 43.688 0.376 13.998 32 1HB ALA 4 HB1 ALA 4 40.938 0.747 14.868 33 2HB ALA 4 HB2 ALA 4 42.204 -0.246 15.587 34 3HB ALA 4 HB3 ALA 4 41.197 -0.902 14.297 35 H PHE 5 HN PHE 5 42.573 -2.001 13.184 36 HA PHE 5 HA PHE 5 41.680 -1.791 10.376 37 1HB PHE 5 HB1 PHE 5 43.834 -3.384 9.986 38 2HB PHE 5 HB2 PHE 5 44.451 -2.375 11.294 39 HD1 PHE 5 HD1 PHE 5 42.504 -2.007 8.099 40 HD2 PHE 5 HD2 PHE 5 45.501 -0.384 10.714 41 HE1 PHE 5 HE1 PHE 5 42.915 -0.167 6.487 42 HE2 PHE 5 HE2 PHE 5 45.911 1.454 9.103 43 HZ PHE 5 HZ PHE 5 44.618 1.563 6.990 44 H THR 6 HN THR 6 41.631 -4.163 9.449 45 HA THR 6 HA THR 6 41.263 -6.242 11.531 46 HB THR 6 HB THR 6 39.134 -5.001 11.436 47 HG1 THR 6 HG1 THR 6 39.127 -7.303 11.638 48 1HG2 THR 6 HG21 THR 6 38.486 -5.843 8.687 49 2HG2 THR 6 HG22 THR 6 39.729 -4.596 8.790 50 3HG2 THR 6 HG23 THR 6 38.143 -4.320 9.509 51 H ASP 7 HN ASP 7 40.157 -8.237 10.119 52 HA ASP 7 HA ASP 7 42.211 -9.002 8.215 53 1HB ASP 7 HB1 ASP 7 40.666 -11.002 7.990 54 2HB ASP 7 HB2 ASP 7 39.540 -10.165 9.059 55 H ALA 8 HN ALA 8 38.918 -7.742 7.959 56 HA ALA 8 HA ALA 8 38.515 -8.290 5.158 57 1HB ALA 8 HB1 ALA 8 37.227 -5.890 6.277 58 2HB ALA 8 HB2 ALA 8 37.068 -7.314 7.305 59 3HB ALA 8 HB3 ALA 8 36.493 -7.362 5.639 60 H ASP 9 HN ASP 9 39.662 -5.384 6.893 61 HA ASP 9 HA ASP 9 39.988 -3.677 4.634 62 1HB ASP 9 HB1 ASP 9 41.877 -2.805 6.347 63 2HB ASP 9 HB2 ASP 9 41.005 -3.893 7.428 64 H ASP 10 HN ASP 10 42.181 -6.074 6.078 65 HA ASP 10 HA ASP 10 44.521 -5.421 4.546 66 1HB ASP 10 HB1 ASP 10 44.951 -7.958 5.130 67 2HB ASP 10 HB2 ASP 10 43.467 -7.790 6.068 68 H VAL 11 HN VAL 11 41.733 -7.507 3.875 69 HA VAL 11 HA VAL 11 42.851 -8.772 1.517 70 HB VAL 11 HB VAL 11 39.994 -8.334 2.456 71 1HG1 VAL 11 HG11 VAL 11 41.202 -9.824 0.181 72 2HG1 VAL 11 HG12 VAL 11 39.601 -9.099 0.327 73 3HG1 VAL 11 HG13 VAL 11 39.935 -10.659 1.080 74 1HG2 VAL 11 HG21 VAL 11 40.233 -10.180 3.803 75 2HG2 VAL 11 HG22 VAL 11 41.920 -9.668 3.806 76 3HG2 VAL 11 HG23 VAL 11 41.390 -10.950 2.718 77 H ALA 12 HN ALA 12 40.573 -6.051 1.995 78 HA ALA 12 HA ALA 12 40.139 -5.455 -0.764 79 1HB ALA 12 HB1 ALA 12 40.170 -3.633 1.667 80 2HB ALA 12 HB2 ALA 12 38.802 -4.620 1.155 81 3HB ALA 12 HB3 ALA 12 39.360 -3.290 0.139 82 H ILE 13 HN ILE 13 42.478 -4.035 1.553 83 HA ILE 13 HA ILE 13 43.738 -2.258 -0.315 84 HB ILE 13 HB ILE 13 44.789 -3.659 2.172 85 1HG1 ILE 13 HG11 ILE 13 42.657 -2.208 2.304 86 2HG1 ILE 13 HG12 ILE 13 43.715 -0.843 1.947 87 1HG2 ILE 13 HG21 ILE 13 46.436 -1.877 2.285 88 2HG2 ILE 13 HG22 ILE 13 45.744 -1.094 0.865 89 3HG2 ILE 13 HG23 ILE 13 46.558 -2.650 0.705 90 1HD1 ILE 13 HD11 ILE 13 44.051 -2.784 4.257 91 2HD1 ILE 13 HD12 ILE 13 43.430 -1.139 4.387 92 3HD1 ILE 13 HD13 ILE 13 45.106 -1.414 3.908 93 H LEU 14 HN LEU 14 44.562 -5.569 0.735 94 HA LEU 14 HA LEU 14 46.904 -5.920 -0.871 95 1HB LEU 14 HB1 LEU 14 44.798 -7.852 0.161 96 2HB LEU 14 HB2 LEU 14 46.268 -7.364 0.998 97 HG LEU 14 HG LEU 14 46.409 -8.670 -1.715 98 1HD1 LEU 14 HD11 LEU 14 48.596 -9.471 -0.580 99 2HD1 LEU 14 HD12 LEU 14 48.248 -8.247 0.641 100 3HD1 LEU 14 HD13 LEU 14 48.494 -7.771 -1.038 101 1HD2 LEU 14 HD21 LEU 14 46.583 -10.844 -0.637 102 2HD2 LEU 14 HD22 LEU 14 45.049 -10.107 -0.174 103 3HD2 LEU 14 HD23 LEU 14 46.404 -10.108 0.956 104 H THR 15 HN THR 15 43.661 -7.314 -1.495 105 HA THR 15 HA THR 15 44.056 -8.153 -4.147 106 HB THR 15 HB THR 15 41.544 -6.965 -2.928 107 HG1 THR 15 HG1 THR 15 42.577 -9.603 -2.821 108 1HG2 THR 15 HG21 THR 15 40.831 -7.435 -5.047 109 2HG2 THR 15 HG22 THR 15 40.753 -9.083 -4.421 110 3HG2 THR 15 HG23 THR 15 42.156 -8.558 -5.354 111 H TYR 16 HN TYR 16 42.758 -4.982 -3.075 112 HA TYR 16 HA TYR 16 42.387 -3.828 -5.654 113 1HB TYR 16 HB1 TYR 16 43.154 -2.577 -2.991 114 2HB TYR 16 HB2 TYR 16 41.514 -2.918 -3.536 115 HD1 TYR 16 HD1 TYR 16 44.520 -0.836 -4.128 116 HD2 TYR 16 HD2 TYR 16 40.395 -1.495 -5.135 117 HE1 TYR 16 HE1 TYR 16 44.448 1.361 -5.275 118 HE2 TYR 16 HE2 TYR 16 40.325 0.703 -6.283 119 HH TYR 16 HH TYR 16 41.816 2.299 -7.287 120 H VAL 17 HN VAL 17 45.174 -3.534 -3.436 121 HA VAL 17 HA VAL 17 46.842 -2.019 -5.213 122 HB VAL 17 HB VAL 17 47.387 -3.858 -2.858 123 1HG1 VAL 17 HG11 VAL 17 49.489 -3.701 -3.951 124 2HG1 VAL 17 HG12 VAL 17 49.533 -2.447 -2.712 125 3HG1 VAL 17 HG13 VAL 17 49.223 -2.014 -4.393 126 1HG2 VAL 17 HG21 VAL 17 45.962 -1.709 -2.657 127 2HG2 VAL 17 HG22 VAL 17 47.469 -0.842 -2.947 128 3HG2 VAL 17 HG23 VAL 17 47.314 -1.892 -1.540 129 H LYS 18 HN LYS 18 46.857 -5.527 -4.446 130 HA LYS 18 HA LYS 18 48.917 -6.338 -6.206 131 1HB LYS 18 HB1 LYS 18 46.398 -7.918 -5.670 132 2HB LYS 18 HB2 LYS 18 47.578 -7.607 -4.397 133 1HG LYS 18 HG1 LYS 18 48.781 -8.570 -6.912 134 2HG LYS 18 HG2 LYS 18 47.671 -9.725 -6.175 135 1HD LYS 18 HD1 LYS 18 48.906 -9.748 -4.129 136 2HD LYS 18 HD2 LYS 18 49.839 -8.324 -4.593 137 1HE LYS 18 HE1 LYS 18 51.396 -9.933 -5.180 138 2HE LYS 18 HE2 LYS 18 50.433 -9.985 -6.670 139 1HZ LYS 18 HZ1 LYS 18 49.047 -11.693 -5.662 140 2HZ LYS 18 HZ2 LYS 18 49.959 -11.629 -4.230 141 3HZ LYS 18 HZ3 LYS 18 50.666 -12.196 -5.667 142 H GLU 19 HN GLU 19 45.641 -5.350 -6.956 143 HA GLU 19 HA GLU 19 45.720 -6.549 -9.661 144 1HB GLU 19 HB1 GLU 19 43.462 -5.059 -9.569 145 2HB GLU 19 HB2 GLU 19 43.761 -5.247 -7.840 146 1HG GLU 19 HG1 GLU 19 43.683 -7.622 -7.986 147 2HG GLU 19 HG2 GLU 19 43.836 -7.597 -9.742 148 H ASN 20 HN ASN 20 46.323 -3.456 -8.124 149 HA ASN 20 HA ASN 20 46.382 -2.091 -10.787 150 1HB ASN 20 HB1 ASN 20 46.410 -0.044 -9.336 151 2HB ASN 20 HB2 ASN 20 46.353 -1.098 -7.923 152 1HD2 ASN 20 HD21 ASN 20 44.243 -0.592 -7.202 153 2HD2 ASN 20 HD22 ASN 20 42.844 -0.887 -8.115 154 H ALA 21 HN ALA 21 48.270 -2.069 -7.733 155 HA ALA 21 HA ALA 21 50.594 -0.794 -8.564 156 1HB ALA 21 HB1 ALA 21 51.675 -2.409 -6.849 157 2HB ALA 21 HB2 ALA 21 50.059 -3.095 -6.689 158 3HB ALA 21 HB3 ALA 21 50.340 -1.400 -6.295 159 H ARG 22 HN ARG 22 51.719 -1.200 -10.427 160 HA ARG 22 HA ARG 22 52.876 -3.893 -10.841 161 1HB ARG 22 HB1 ARG 22 51.542 -2.643 -13.202 162 2HB ARG 22 HB2 ARG 22 50.496 -3.375 -11.983 163 1HG ARG 22 HG1 ARG 22 50.901 -5.284 -13.178 164 2HG ARG 22 HG2 ARG 22 52.386 -5.316 -12.228 165 1HD ARG 22 HD1 ARG 22 53.683 -4.810 -14.048 166 2HD ARG 22 HD2 ARG 22 52.509 -3.632 -14.668 167 HE ARG 22 HE ARG 22 52.332 -6.599 -15.036 168 1HH1 ARG 22 HH11 ARG 22 49.712 -6.266 -15.393 169 2HH1 ARG 22 HH12 ARG 22 49.450 -5.434 -16.889 170 1HH2 ARG 22 HH21 ARG 22 52.708 -4.275 -17.124 171 2HH2 ARG 22 HH22 ARG 22 51.144 -4.308 -17.868 172 H SER 23 HN SER 23 53.772 -1.046 -10.271 173 HA SER 23 HA SER 23 56.033 -0.995 -12.111 174 1HB SER 23 HB1 SER 23 54.007 -0.053 -13.366 175 2HB SER 23 HB2 SER 23 55.429 0.985 -13.315 176 HG SER 23 HG SER 23 53.743 2.254 -12.724 177 HA PRO 24 HA PRO 24 57.693 1.272 -8.722 178 1HB PRO 24 HB1 PRO 24 59.774 1.118 -9.724 179 2HB PRO 24 HB2 PRO 24 59.570 2.870 -9.911 180 1HG PRO 24 HG1 PRO 24 59.995 1.242 -11.999 181 2HG PRO 24 HG2 PRO 24 58.971 2.681 -12.119 182 1HD PRO 24 HD1 PRO 24 58.215 -0.185 -12.057 183 2HD PRO 24 HD2 PRO 24 57.377 1.194 -12.801 184 H SER 25 HN SER 25 55.344 2.377 -8.954 185 HA SER 25 HA SER 25 55.747 5.240 -8.556 186 1HB SER 25 HB1 SER 25 53.911 4.573 -10.828 187 2HB SER 25 HB2 SER 25 55.646 4.593 -11.131 188 HG SER 25 HG SER 25 55.748 6.698 -10.442 189 H SER 26 HN SER 26 53.400 2.630 -9.183 190 HA SER 26 HA SER 26 51.138 3.962 -7.993 191 1HB SER 26 HB1 SER 26 50.054 1.916 -8.409 192 2HB SER 26 HB2 SER 26 51.523 0.979 -8.163 193 HG SER 26 HG SER 26 51.133 1.121 -10.354 194 H VAL 27 HN VAL 27 53.380 1.454 -6.703 195 HA VAL 27 HA VAL 27 52.102 1.626 -4.050 196 HB VAL 27 HB VAL 27 53.754 -0.150 -3.505 197 1HG1 VAL 27 HG11 VAL 27 53.009 -1.656 -5.571 198 2HG1 VAL 27 HG12 VAL 27 51.961 -0.273 -5.891 199 3HG1 VAL 27 HG13 VAL 27 51.846 -1.130 -4.353 200 1HG2 VAL 27 HG21 VAL 27 54.661 -0.399 -6.307 201 2HG2 VAL 27 HG22 VAL 27 55.559 -0.627 -4.809 202 3HG2 VAL 27 HG23 VAL 27 55.314 0.994 -5.451 203 H THR 28 HN THR 28 54.914 2.962 -5.649 204 HA THR 28 HA THR 28 56.173 3.772 -3.097 205 HB THR 28 HB THR 28 57.546 3.007 -4.976 206 HG1 THR 28 HG1 THR 28 58.382 4.642 -3.635 207 1HG2 THR 28 HG21 THR 28 56.538 3.470 -6.980 208 2HG2 THR 28 HG22 THR 28 57.623 4.857 -6.914 209 3HG2 THR 28 HG23 THR 28 55.934 5.035 -6.443 210 H GLY 29 HN GLY 29 54.040 5.107 -5.523 211 1HA GLY 29 HA1 GLY 29 53.468 7.409 -5.925 212 2HA GLY 29 HA2 GLY 29 54.477 7.874 -4.553 213 H ASN 30 HN ASN 30 51.714 8.679 -5.002 214 HA ASN 30 HA ASN 30 50.293 7.221 -2.799 215 1HB ASN 30 HB1 ASN 30 49.671 9.407 -1.867 216 2HB ASN 30 HB2 ASN 30 50.499 10.229 -3.187 217 1HD2 ASN 30 HD21 ASN 30 51.720 7.353 -1.428 218 2HD2 ASN 30 HD22 ASN 30 53.073 8.136 -0.771 219 H ALA 31 HN ALA 31 50.036 7.301 -5.836 220 HA ALA 31 HA ALA 31 47.459 8.702 -6.244 221 1HB ALA 31 HB1 ALA 31 48.045 8.575 -8.462 222 2HB ALA 31 HB2 ALA 31 48.655 6.928 -8.310 223 3HB ALA 31 HB3 ALA 31 49.650 8.288 -7.789 224 H LEU 32 HN LEU 32 48.671 5.364 -6.819 225 HA LEU 32 HA LEU 32 46.179 4.106 -7.245 226 1HB LEU 32 HB1 LEU 32 48.203 2.590 -5.698 227 2HB LEU 32 HB2 LEU 32 48.822 3.383 -7.148 228 HG LEU 32 HG LEU 32 46.311 1.695 -7.152 229 1HD1 LEU 32 HD11 LEU 32 48.106 2.074 -9.502 230 2HD1 LEU 32 HD12 LEU 32 47.154 3.466 -8.986 231 3HD1 LEU 32 HD13 LEU 32 46.347 1.963 -9.436 232 1HD2 LEU 32 HD21 LEU 32 47.663 -0.097 -6.828 233 2HD2 LEU 32 HD22 LEU 32 49.124 0.874 -6.998 234 3HD2 LEU 32 HD23 LEU 32 48.312 0.245 -8.429 235 H TRP 33 HN TRP 33 47.672 5.168 -4.256 236 HA TRP 33 HA TRP 33 45.828 3.667 -2.520 237 1HB TRP 33 HB1 TRP 33 47.072 4.765 -0.744 238 2HB TRP 33 HB2 TRP 33 47.692 5.979 -1.863 239 HD1 TRP 33 HD1 TRP 33 49.756 5.377 -3.314 240 HE1 TRP 33 HE1 TRP 33 51.342 3.351 -3.413 241 HE3 TRP 33 HE3 TRP 33 47.151 2.082 -0.414 242 HZ2 TRP 33 HZ2 TRP 33 51.480 0.679 -2.410 243 HZ3 TRP 33 HZ3 TRP 33 48.032 -0.198 -0.003 244 HH2 TRP 33 HH2 TRP 33 50.194 -0.903 -0.993 245 H LYS 34 HN LYS 34 46.342 7.037 -3.544 246 HA LYS 34 HA LYS 34 44.173 8.242 -2.118 247 1HB LYS 34 HB1 LYS 34 44.419 9.838 -4.234 248 2HB LYS 34 HB2 LYS 34 45.827 8.828 -4.557 249 1HG LYS 34 HG1 LYS 34 46.689 9.313 -2.301 250 2HG LYS 34 HG2 LYS 34 45.274 10.303 -1.967 251 1HD LYS 34 HD1 LYS 34 45.889 11.874 -3.706 252 2HD LYS 34 HD2 LYS 34 47.209 10.832 -4.237 253 1HE LYS 34 HE1 LYS 34 48.499 12.107 -2.835 254 2HE LYS 34 HE2 LYS 34 47.747 11.168 -1.530 255 1HZ LYS 34 HZ1 LYS 34 47.357 13.493 -1.132 256 2HZ LYS 34 HZ2 LYS 34 45.884 12.787 -1.602 257 3HZ LYS 34 HZ3 LYS 34 46.773 13.724 -2.706 258 H ALA 35 HN ALA 35 44.366 6.942 -5.445 259 HA ALA 35 HA ALA 35 41.659 7.443 -6.212 260 1HB ALA 35 HB1 ALA 35 42.190 5.518 -7.824 261 2HB ALA 35 HB2 ALA 35 43.744 5.393 -7.000 262 3HB ALA 35 HB3 ALA 35 43.314 6.876 -7.850 263 H MET 36 HN MET 36 43.159 4.767 -4.427 264 HA MET 36 HA MET 36 40.983 2.918 -4.438 265 1HB MET 36 HB1 MET 36 42.906 3.472 -2.159 266 2HB MET 36 HB2 MET 36 43.387 2.627 -3.631 267 1HG MET 36 HG1 MET 36 42.021 0.783 -3.165 268 2HG MET 36 HG2 MET 36 40.961 1.711 -2.106 269 1HE MET 36 HE1 MET 36 45.305 0.630 -1.284 270 2HE MET 36 HE2 MET 36 44.512 1.039 -2.803 271 3HE MET 36 HE3 MET 36 44.319 -0.575 -2.124 272 H GLU 37 HN GLU 37 41.696 5.705 -2.355 273 HA GLU 37 HA GLU 37 39.538 5.308 -0.479 274 1HB GLU 37 HB1 GLU 37 40.794 7.931 -1.334 275 2HB GLU 37 HB2 GLU 37 41.641 6.770 -0.313 276 1HG GLU 37 HG1 GLU 37 40.638 7.987 1.358 277 2HG GLU 37 HG2 GLU 37 39.296 6.893 1.018 278 H LYS 38 HN LYS 38 39.770 6.787 -3.662 279 HA LYS 38 HA LYS 38 36.961 7.781 -3.478 280 1HB LYS 38 HB1 LYS 38 37.788 8.728 -5.794 281 2HB LYS 38 HB2 LYS 38 39.385 8.297 -5.180 282 1HG LYS 38 HG1 LYS 38 39.061 9.694 -3.219 283 2HG LYS 38 HG2 LYS 38 37.391 10.020 -3.682 284 1HD LYS 38 HD1 LYS 38 38.812 10.748 -5.952 285 2HD LYS 38 HD2 LYS 38 39.884 11.251 -4.646 286 1HE LYS 38 HE1 LYS 38 38.547 13.031 -4.199 287 2HE LYS 38 HE2 LYS 38 37.142 11.966 -4.003 288 1HZ LYS 38 HZ1 LYS 38 36.855 11.912 -6.371 289 2HZ LYS 38 HZ2 LYS 38 38.288 12.790 -6.624 290 3HZ LYS 38 HZ3 LYS 38 36.945 13.539 -5.900 291 H SER 39 HN SER 39 38.196 4.864 -4.095 292 HA SER 39 HA SER 39 36.457 4.387 -6.494 293 1HB SER 39 HB1 SER 39 38.181 2.443 -6.784 294 2HB SER 39 HB2 SER 39 39.176 3.382 -5.676 295 HG SER 39 HG SER 39 39.131 3.753 -8.168 296 H SER 40 HN SER 40 38.129 2.221 -4.189 297 HA SER 40 HA SER 40 35.533 1.305 -3.079 298 1HB SER 40 HB1 SER 40 37.451 -0.491 -4.601 299 2HB SER 40 HB2 SER 40 35.904 0.085 -5.217 300 HG SER 40 HG SER 40 34.833 -1.081 -3.722 301 H LEU 41 HN LEU 41 36.171 1.676 -0.948 302 HA LEU 41 HA LEU 41 38.438 0.033 0.082 303 1HB LEU 41 HB1 LEU 41 38.103 2.757 1.207 304 2HB LEU 41 HB2 LEU 41 38.606 2.721 -0.473 305 HG LEU 41 HG LEU 41 40.516 1.309 0.072 306 1HD1 LEU 41 HD11 LEU 41 41.724 3.127 0.629 307 2HD1 LEU 41 HD12 LEU 41 40.966 3.236 2.216 308 3HD1 LEU 41 HD13 LEU 41 40.196 3.980 0.820 309 1HD2 LEU 41 HD21 LEU 41 39.333 0.151 2.031 310 2HD2 LEU 41 HD22 LEU 41 39.774 1.558 2.997 311 3HD2 LEU 41 HD23 LEU 41 41.032 0.551 2.281 312 H THR 42 HN THR 42 37.799 1.665 2.725 313 HA THR 42 HA THR 42 35.100 0.580 3.327 314 HB THR 42 HB THR 42 37.453 0.046 5.142 315 HG1 THR 42 HG1 THR 42 38.106 -0.937 3.308 316 1HG2 THR 42 HG21 THR 42 36.034 -1.466 6.175 317 2HG2 THR 42 HG22 THR 42 35.092 -1.746 4.710 318 3HG2 THR 42 HG23 THR 42 34.871 -0.257 5.630 319 H GLN 43 HN GLN 43 37.912 1.973 5.051 320 HA GLN 43 HA GLN 43 36.645 4.520 5.578 321 1HB GLN 43 HB1 GLN 43 36.880 2.897 8.073 322 2HB GLN 43 HB2 GLN 43 35.526 2.524 7.007 323 1HG GLN 43 HG1 GLN 43 34.566 4.199 8.282 324 2HG GLN 43 HG2 GLN 43 35.277 5.179 6.999 325 1HE2 GLN 43 HE21 GLN 43 35.164 4.784 10.378 326 2HE2 GLN 43 HE22 GLN 43 36.536 5.698 10.777 327 H HIS 44 HN HIS 44 39.009 4.632 4.682 328 HA HIS 44 HA HIS 44 40.797 5.185 6.962 329 1HB HIS 44 HB1 HIS 44 42.434 3.619 5.334 330 2HB HIS 44 HB2 HIS 44 40.888 2.763 5.306 331 HD1 HIS 44 HD1 HIS 44 43.542 3.991 7.687 332 HD2 HIS 44 HD2 HIS 44 40.136 1.584 7.752 333 HE1 HIS 44 HE1 HIS 44 43.488 2.901 9.964 334 H SER 45 HN SER 45 42.719 6.351 6.315 335 HA SER 45 HA SER 45 42.285 8.011 3.909 336 1HB SER 45 HB1 SER 45 43.044 9.394 5.573 337 2HB SER 45 HB2 SER 45 44.624 8.864 5.012 338 HG SER 45 HG SER 45 44.679 7.311 6.604 339 H TRP 46 HN TRP 46 43.635 7.990 2.101 340 HA TRP 46 HA TRP 46 44.871 5.630 1.226 341 1HB TRP 46 HB1 TRP 46 44.184 7.768 -0.020 342 2HB TRP 46 HB2 TRP 46 45.673 7.008 -0.573 343 HD1 TRP 46 HD1 TRP 46 44.335 10.223 0.764 344 HE1 TRP 46 HE1 TRP 46 46.272 11.888 1.145 345 HE3 TRP 46 HE3 TRP 46 48.308 7.066 0.267 346 HZ2 TRP 46 HZ2 TRP 46 49.139 11.872 1.229 347 HZ3 TRP 46 HZ3 TRP 46 50.629 7.908 0.503 348 HH2 TRP 46 HH2 TRP 46 51.048 10.301 0.987 349 H GLN 47 HN GLN 47 46.260 8.251 3.144 350 HA GLN 47 HA GLN 47 49.030 7.555 2.934 351 1HB GLN 47 HB1 GLN 47 47.699 8.734 5.375 352 2HB GLN 47 HB2 GLN 47 47.809 9.647 3.870 353 1HG GLN 47 HG1 GLN 47 50.363 8.816 4.051 354 2HG GLN 47 HG2 GLN 47 49.959 8.837 5.767 355 1HE2 GLN 47 HE21 GLN 47 48.166 11.050 5.821 356 2HE2 GLN 47 HE22 GLN 47 49.021 12.458 5.410 357 H SER 48 HN SER 48 46.729 6.838 5.596 358 HA SER 48 HA SER 48 48.390 5.174 7.157 359 1HB SER 48 HB1 SER 48 45.410 4.940 6.626 360 2HB SER 48 HB2 SER 48 46.148 6.071 7.757 361 HG SER 48 HG SER 48 45.856 4.462 9.087 362 H LEU 49 HN LEU 49 46.710 4.462 4.157 363 HA LEU 49 HA LEU 49 47.051 1.553 4.369 364 1HB LEU 49 HB1 LEU 49 46.044 1.600 2.128 365 2HB LEU 49 HB2 LEU 49 46.314 3.337 2.022 366 HG LEU 49 HG LEU 49 44.798 3.699 3.922 367 1HD1 LEU 49 HD11 LEU 49 43.946 2.289 1.443 368 2HD1 LEU 49 HD12 LEU 49 43.521 3.899 2.022 369 3HD1 LEU 49 HD13 LEU 49 42.731 2.479 2.706 370 1HD2 LEU 49 HD21 LEU 49 43.465 1.798 4.796 371 2HD2 LEU 49 HD22 LEU 49 45.187 1.552 5.087 372 3HD2 LEU 49 HD23 LEU 49 44.383 0.691 3.775 373 H LYS 50 HN LYS 50 48.670 4.282 2.788 374 HA LYS 50 HA LYS 50 50.502 2.699 1.188 375 1HB LYS 50 HB1 LYS 50 51.016 5.486 2.237 376 2HB LYS 50 HB2 LYS 50 49.749 5.203 1.043 377 1HG LYS 50 HG1 LYS 50 51.636 5.690 -0.281 378 2HG LYS 50 HG2 LYS 50 51.597 3.927 -0.276 379 1HD LYS 50 HD1 LYS 50 53.431 3.759 1.135 380 2HD LYS 50 HD2 LYS 50 53.124 5.323 1.890 381 1HE LYS 50 HE1 LYS 50 54.903 5.952 0.551 382 2HE LYS 50 HE2 LYS 50 53.623 6.118 -0.666 383 1HZ LYS 50 HZ1 LYS 50 55.059 3.573 -0.110 384 2HZ LYS 50 HZ2 LYS 50 55.532 4.655 -1.332 385 3HZ LYS 50 HZ3 LYS 50 54.012 3.901 -1.402 386 H ASP 51 HN ASP 51 50.768 4.377 4.325 387 HA ASP 51 HA ASP 51 53.488 3.597 4.882 388 1HB ASP 51 HB1 ASP 51 51.225 4.252 6.798 389 2HB ASP 51 HB2 ASP 51 52.151 5.470 5.919 390 H ARG 52 HN ARG 52 50.332 2.132 5.552 391 HA ARG 52 HA ARG 52 51.185 0.071 7.345 392 1HB ARG 52 HB1 ARG 52 48.904 0.404 5.377 393 2HB ARG 52 HB2 ARG 52 48.863 0.612 7.124 394 1HG ARG 52 HG1 ARG 52 49.119 -1.993 5.591 395 2HG ARG 52 HG2 ARG 52 47.784 -1.487 6.622 396 1HD ARG 52 HD1 ARG 52 50.052 -1.330 8.288 397 2HD ARG 52 HD2 ARG 52 50.261 -2.836 7.370 398 HE ARG 52 HE ARG 52 48.071 -3.563 8.200 399 1HH1 ARG 52 HH11 ARG 52 47.885 -3.817 10.621 400 2HH1 ARG 52 HH12 ARG 52 47.398 -2.379 11.453 401 1HH2 ARG 52 HH21 ARG 52 48.016 -0.288 8.758 402 2HH2 ARG 52 HH22 ARG 52 47.475 -0.382 10.401 403 H TYR 53 HN TYR 53 51.109 0.264 3.796 404 HA TYR 53 HA TYR 53 51.696 -2.475 3.219 405 1HB TYR 53 HB1 TYR 53 52.693 -0.120 1.619 406 2HB TYR 53 HB2 TYR 53 50.970 -0.489 1.713 407 HD1 TYR 53 HD1 TYR 53 54.124 -1.345 0.189 408 HD2 TYR 53 HD2 TYR 53 50.201 -2.845 1.088 409 HE1 TYR 53 HE1 TYR 53 54.418 -3.131 -1.503 410 HE2 TYR 53 HE2 TYR 53 50.493 -4.630 -0.608 411 HH TYR 53 HH TYR 53 52.986 -4.584 -2.911 412 H LEU 54 HN LEU 54 53.921 0.335 3.437 413 HA LEU 54 HA LEU 54 56.291 -1.382 3.323 414 1HB LEU 54 HB1 LEU 54 57.377 0.884 3.843 415 2HB LEU 54 HB2 LEU 54 55.744 1.551 3.817 416 HG LEU 54 HG LEU 54 55.474 0.527 1.515 417 1HD1 LEU 54 HD11 LEU 54 55.906 2.877 1.626 418 2HD1 LEU 54 HD12 LEU 54 57.023 2.237 0.421 419 3HD1 LEU 54 HD13 LEU 54 57.598 2.615 2.045 420 1HD2 LEU 54 HD21 LEU 54 58.351 -0.134 2.097 421 2HD2 LEU 54 HD22 LEU 54 57.849 0.176 0.435 422 3HD2 LEU 54 HD23 LEU 54 57.110 -1.140 1.347 423 H LYS 55 HN LYS 55 54.202 -0.171 5.837 424 HA LYS 55 HA LYS 55 55.964 -0.050 8.064 425 1HB LYS 55 HB1 LYS 55 53.597 -1.009 9.076 426 2HB LYS 55 HB2 LYS 55 53.084 -0.391 7.507 427 1HG LYS 55 HG1 LYS 55 52.892 1.443 9.038 428 2HG LYS 55 HG2 LYS 55 54.347 1.751 8.088 429 1HD LYS 55 HD1 LYS 55 55.771 1.201 9.859 430 2HD LYS 55 HD2 LYS 55 54.551 0.213 10.663 431 1HE LYS 55 HE1 LYS 55 53.251 2.314 11.145 432 2HE LYS 55 HE2 LYS 55 54.602 3.246 10.470 433 1HZ LYS 55 HZ1 LYS 55 54.882 2.987 12.851 434 2HZ LYS 55 HZ2 LYS 55 56.077 2.090 12.043 435 3HZ LYS 55 HZ3 LYS 55 54.733 1.302 12.724 436 H HIS 56 HN HIS 56 54.033 -2.832 6.860 437 HA HIS 56 HA HIS 56 56.111 -4.722 7.576 438 1HB HIS 56 HB1 HIS 56 55.395 -4.261 9.818 439 2HB HIS 56 HB2 HIS 56 54.744 -5.835 9.385 440 HD1 HIS 56 HD1 HIS 56 53.225 -4.763 11.568 441 HD2 HIS 56 HD2 HIS 56 52.387 -3.523 7.680 442 HE1 HIS 56 HE1 HIS 56 50.862 -3.856 11.601 443 H LEU 57 HN LEU 57 54.650 -4.338 5.183 444 HA LEU 57 HA LEU 57 53.110 -6.915 5.057 445 1HB LEU 57 HB1 LEU 57 51.716 -5.778 3.308 446 2HB LEU 57 HB2 LEU 57 52.580 -4.281 3.640 447 HG LEU 57 HG LEU 57 51.793 -4.322 5.962 448 1HD1 LEU 57 HD11 LEU 57 49.726 -4.602 3.781 449 2HD1 LEU 57 HD12 LEU 57 50.348 -3.123 4.513 450 3HD1 LEU 57 HD13 LEU 57 49.278 -4.179 5.432 451 1HD2 LEU 57 HD21 LEU 57 51.577 -6.619 6.508 452 2HD2 LEU 57 HD22 LEU 57 50.594 -6.951 5.082 453 3HD2 LEU 57 HD23 LEU 57 49.910 -6.050 6.434 454 H ARG 58 HN ARG 58 54.296 -4.530 2.667 455 HA ARG 58 HA ARG 58 55.570 -4.833 0.703 456 1HB ARG 58 HB1 ARG 58 56.900 -6.896 2.488 457 2HB ARG 58 HB2 ARG 58 57.208 -5.162 2.570 458 1HG ARG 58 HG1 ARG 58 57.663 -5.438 -0.019 459 2HG ARG 58 HG2 ARG 58 57.937 -7.125 0.417 460 1HD ARG 58 HD1 ARG 58 59.499 -6.181 2.268 461 2HD ARG 58 HD2 ARG 58 59.448 -4.670 1.338 462 HE ARG 58 HE ARG 58 60.689 -7.203 0.477 463 1HH1 ARG 58 HH11 ARG 58 62.142 -4.750 -0.043 464 2HH1 ARG 58 HH12 ARG 58 61.775 -4.389 -1.696 465 1HH2 ARG 58 HH21 ARG 58 59.019 -6.490 -1.819 466 2HH2 ARG 58 HH22 ARG 58 60.005 -5.374 -2.702 467 H GLY 59 HN GLY 59 53.244 -6.079 0.269 468 1HA GLY 59 HA1 GLY 59 52.164 -7.911 -0.747 469 2HA GLY 59 HA2 GLY 59 53.481 -8.941 -0.186 Start of MODEL 5 1 1H GLY 1 HT1 GLY 1 43.092 3.187 20.922 2 2H GLY 1 HT2 GLY 1 43.740 1.803 20.179 3 3H GLY 1 HT3 GLY 1 42.280 1.702 21.042 4 1HA GLY 1 HA1 GLY 1 41.469 3.473 19.348 5 2HA GLY 1 HA2 GLY 1 41.499 1.766 18.903 6 H ARG 2 HN ARG 2 43.554 1.015 17.829 7 HA ARG 2 HA ARG 2 45.240 3.068 16.548 8 1HB ARG 2 HB1 ARG 2 46.373 1.023 15.666 9 2HB ARG 2 HB2 ARG 2 45.089 0.038 16.365 10 1HG ARG 2 HG1 ARG 2 46.042 1.782 18.423 11 2HG ARG 2 HG2 ARG 2 47.455 1.078 17.639 12 1HD ARG 2 HD1 ARG 2 45.112 -0.649 18.466 13 2HD ARG 2 HD2 ARG 2 46.421 -0.259 19.598 14 HE ARG 2 HE ARG 2 47.948 -1.465 18.162 15 1HH1 ARG 2 HH11 ARG 2 47.829 -1.357 15.542 16 2HH1 ARG 2 HH12 ARG 2 46.698 -2.532 14.957 17 1HH2 ARG 2 HH21 ARG 2 45.142 -2.951 18.026 18 2HH2 ARG 2 HH22 ARG 2 45.177 -3.434 16.364 19 H ILE 3 HN ILE 3 45.676 1.939 14.055 20 HA ILE 3 HA ILE 3 43.587 2.992 12.432 21 HB ILE 3 HB ILE 3 45.976 1.189 12.080 22 1HG1 ILE 3 HG11 ILE 3 46.816 3.081 10.786 23 2HG1 ILE 3 HG12 ILE 3 46.224 3.649 12.344 24 1HG2 ILE 3 HG21 ILE 3 45.404 1.690 9.490 25 2HG2 ILE 3 HG22 ILE 3 43.766 1.517 10.117 26 3HG2 ILE 3 HG23 ILE 3 44.923 0.200 10.302 27 1HD1 ILE 3 HD11 ILE 3 45.525 5.055 10.340 28 2HD1 ILE 3 HD12 ILE 3 44.197 4.501 11.355 29 3HD1 ILE 3 HD13 ILE 3 44.535 3.694 9.825 30 H ALA 4 HN ALA 4 41.605 2.153 11.948 31 HA ALA 4 HA ALA 4 40.756 -0.455 12.901 32 1HB ALA 4 HB1 ALA 4 39.442 1.444 10.933 33 2HB ALA 4 HB2 ALA 4 39.360 1.629 12.684 34 3HB ALA 4 HB3 ALA 4 38.633 0.220 11.911 35 H PHE 5 HN PHE 5 42.450 -1.735 11.721 36 HA PHE 5 HA PHE 5 41.789 -2.143 8.823 37 1HB PHE 5 HB1 PHE 5 44.249 -3.284 9.278 38 2HB PHE 5 HB2 PHE 5 44.248 -1.977 10.456 39 HD1 PHE 5 HD1 PHE 5 42.419 -0.070 8.792 40 HD2 PHE 5 HD2 PHE 5 45.923 -2.363 7.819 41 HE1 PHE 5 HE1 PHE 5 42.975 1.542 6.992 42 HE2 PHE 5 HE2 PHE 5 46.475 -0.749 6.019 43 HZ PHE 5 HZ PHE 5 45.002 1.202 5.606 44 H THR 6 HN THR 6 39.997 -3.569 9.812 45 HA THR 6 HA THR 6 40.573 -5.990 11.241 46 HB THR 6 HB THR 6 38.361 -5.530 9.222 47 HG1 THR 6 HG1 THR 6 37.350 -4.306 10.716 48 1HG2 THR 6 HG21 THR 6 38.847 -7.338 11.526 49 2HG2 THR 6 HG22 THR 6 37.915 -7.613 10.055 50 3HG2 THR 6 HG23 THR 6 37.218 -6.681 11.379 51 H ASP 7 HN ASP 7 40.127 -8.218 10.148 52 HA ASP 7 HA ASP 7 42.141 -8.813 8.230 53 1HB ASP 7 HB1 ASP 7 40.602 -10.931 7.987 54 2HB ASP 7 HB2 ASP 7 39.658 -10.168 9.267 55 H ALA 8 HN ALA 8 38.784 -7.825 7.813 56 HA ALA 8 HA ALA 8 38.577 -8.550 5.003 57 1HB ALA 8 HB1 ALA 8 36.873 -7.846 7.029 58 2HB ALA 8 HB2 ALA 8 36.418 -7.871 5.326 59 3HB ALA 8 HB3 ALA 8 36.910 -6.357 6.085 60 H ASP 9 HN ASP 9 39.046 -5.438 6.711 61 HA ASP 9 HA ASP 9 39.311 -3.785 4.407 62 1HB ASP 9 HB1 ASP 9 40.704 -2.412 6.170 63 2HB ASP 9 HB2 ASP 9 40.203 -3.689 7.279 64 H ASP 10 HN ASP 10 41.583 -5.979 5.933 65 HA ASP 10 HA ASP 10 43.980 -4.868 4.699 66 1HB ASP 10 HB1 ASP 10 44.602 -7.426 5.390 67 2HB ASP 10 HB2 ASP 10 43.152 -7.183 6.365 68 H VAL 11 HN VAL 11 41.837 -7.643 3.988 69 HA VAL 11 HA VAL 11 43.289 -8.651 1.731 70 HB VAL 11 HB VAL 11 40.327 -8.707 2.418 71 1HG1 VAL 11 HG11 VAL 11 41.923 -9.923 0.245 72 2HG1 VAL 11 HG12 VAL 11 40.187 -9.629 0.336 73 3HG1 VAL 11 HG13 VAL 11 40.881 -11.053 1.111 74 1HG2 VAL 11 HG21 VAL 11 40.781 -10.402 3.883 75 2HG2 VAL 11 HG22 VAL 11 42.389 -9.678 3.924 76 3HG2 VAL 11 HG23 VAL 11 42.070 -11.062 2.878 77 H ALA 12 HN ALA 12 40.952 -6.039 2.080 78 HA ALA 12 HA ALA 12 40.390 -5.679 -0.738 79 1HB ALA 12 HB1 ALA 12 40.222 -3.322 1.013 80 2HB ALA 12 HB2 ALA 12 39.447 -4.750 1.695 81 3HB ALA 12 HB3 ALA 12 38.945 -4.143 0.118 82 H ILE 13 HN ILE 13 42.608 -4.050 1.542 83 HA ILE 13 HA ILE 13 43.732 -2.191 -0.328 84 HB ILE 13 HB ILE 13 44.872 -3.508 2.167 85 1HG1 ILE 13 HG11 ILE 13 42.674 -2.258 2.377 86 2HG1 ILE 13 HG12 ILE 13 43.527 -0.809 1.848 87 1HG2 ILE 13 HG21 ILE 13 46.112 -1.191 2.187 88 2HG2 ILE 13 HG22 ILE 13 45.784 -1.207 0.455 89 3HG2 ILE 13 HG23 ILE 13 46.742 -2.495 1.182 90 1HD1 ILE 13 HD11 ILE 13 43.430 -0.926 4.312 91 2HD1 ILE 13 HD12 ILE 13 45.096 -1.051 3.743 92 3HD1 ILE 13 HD13 ILE 13 44.233 -2.496 4.270 93 H LEU 14 HN LEU 14 44.866 -5.404 0.758 94 HA LEU 14 HA LEU 14 47.183 -5.533 -0.921 95 1HB LEU 14 HB1 LEU 14 45.366 -7.589 0.375 96 2HB LEU 14 HB2 LEU 14 46.909 -6.992 0.975 97 HG LEU 14 HG LEU 14 46.550 -8.613 -1.562 98 1HD1 LEU 14 HD11 LEU 14 48.911 -8.607 -1.741 99 2HD1 LEU 14 HD12 LEU 14 49.120 -8.037 -0.086 100 3HD1 LEU 14 HD13 LEU 14 48.513 -6.941 -1.326 101 1HD2 LEU 14 HD21 LEU 14 47.934 -10.261 -0.042 102 2HD2 LEU 14 HD22 LEU 14 46.182 -10.174 0.138 103 3HD2 LEU 14 HD23 LEU 14 47.229 -9.328 1.278 104 H THR 15 HN THR 15 43.954 -7.031 -1.383 105 HA THR 15 HA THR 15 44.365 -8.046 -4.002 106 HB THR 15 HB THR 15 41.860 -6.960 -2.669 107 HG1 THR 15 HG1 THR 15 42.649 -8.546 -1.410 108 1HG2 THR 15 HG21 THR 15 41.690 -7.345 -5.153 109 2HG2 THR 15 HG22 THR 15 40.619 -8.367 -4.193 110 3HG2 THR 15 HG23 THR 15 42.107 -9.035 -4.863 111 H TYR 16 HN TYR 16 43.196 -4.842 -2.951 112 HA TYR 16 HA TYR 16 42.630 -3.815 -5.587 113 1HB TYR 16 HB1 TYR 16 43.403 -2.387 -3.020 114 2HB TYR 16 HB2 TYR 16 41.773 -2.929 -3.419 115 HD1 TYR 16 HD1 TYR 16 44.533 -0.670 -4.484 116 HD2 TYR 16 HD2 TYR 16 40.377 -1.678 -4.893 117 HE1 TYR 16 HE1 TYR 16 44.153 1.419 -5.766 118 HE2 TYR 16 HE2 TYR 16 39.997 0.410 -6.177 119 HH TYR 16 HH TYR 16 41.404 1.978 -7.593 120 H VAL 17 HN VAL 17 45.544 -3.868 -3.575 121 HA VAL 17 HA VAL 17 47.060 -2.143 -5.415 122 HB VAL 17 HB VAL 17 47.787 -3.783 -2.962 123 1HG1 VAL 17 HG11 VAL 17 49.342 -1.674 -4.488 124 2HG1 VAL 17 HG12 VAL 17 49.792 -3.366 -4.267 125 3HG1 VAL 17 HG13 VAL 17 49.787 -2.266 -2.888 126 1HG2 VAL 17 HG21 VAL 17 46.139 -1.664 -3.004 127 2HG2 VAL 17 HG22 VAL 17 47.676 -0.801 -2.989 128 3HG2 VAL 17 HG23 VAL 17 47.284 -1.928 -1.690 129 H LYS 18 HN LYS 18 47.391 -5.532 -4.278 130 HA LYS 18 HA LYS 18 49.432 -6.406 -6.003 131 1HB LYS 18 HB1 LYS 18 47.126 -8.218 -5.449 132 2HB LYS 18 HB2 LYS 18 47.931 -7.489 -4.060 133 1HG LYS 18 HG1 LYS 18 49.290 -9.329 -4.301 134 2HG LYS 18 HG2 LYS 18 50.104 -8.267 -5.450 135 1HD LYS 18 HD1 LYS 18 48.296 -9.267 -7.124 136 2HD LYS 18 HD2 LYS 18 48.288 -10.595 -5.963 137 1HE LYS 18 HE1 LYS 18 49.991 -11.210 -7.503 138 2HE LYS 18 HE2 LYS 18 50.902 -10.457 -6.178 139 1HZ LYS 18 HZ1 LYS 18 49.886 -9.048 -8.597 140 2HZ LYS 18 HZ2 LYS 18 51.498 -9.530 -8.362 141 3HZ LYS 18 HZ3 LYS 18 50.802 -8.354 -7.351 142 H GLU 19 HN GLU 19 46.082 -5.730 -6.787 143 HA GLU 19 HA GLU 19 46.204 -7.177 -9.365 144 1HB GLU 19 HB1 GLU 19 43.857 -6.048 -9.480 145 2HB GLU 19 HB2 GLU 19 44.167 -5.592 -7.804 146 1HG GLU 19 HG1 GLU 19 44.227 -7.828 -7.081 147 2HG GLU 19 HG2 GLU 19 44.543 -8.443 -8.703 148 H ASN 20 HN ASN 20 45.787 -3.801 -8.250 149 HA ASN 20 HA ASN 20 46.046 -2.706 -10.956 150 1HB ASN 20 HB1 ASN 20 45.879 -0.570 -9.726 151 2HB ASN 20 HB2 ASN 20 46.106 -1.430 -8.206 152 1HD2 ASN 20 HD21 ASN 20 43.934 -0.527 -7.618 153 2HD2 ASN 20 HD22 ASN 20 42.536 -1.311 -8.174 154 H ALA 21 HN ALA 21 47.965 -2.241 -7.966 155 HA ALA 21 HA ALA 21 50.192 -0.906 -8.926 156 1HB ALA 21 HB1 ALA 21 49.631 -1.640 -6.580 157 2HB ALA 21 HB2 ALA 21 51.327 -1.850 -7.013 158 3HB ALA 21 HB3 ALA 21 50.247 -3.239 -6.997 159 H ARG 22 HN ARG 22 50.995 -1.489 -10.973 160 HA ARG 22 HA ARG 22 52.507 -4.055 -11.092 161 1HB ARG 22 HB1 ARG 22 50.694 -3.082 -13.314 162 2HB ARG 22 HB2 ARG 22 50.153 -4.219 -12.079 163 1HG ARG 22 HG1 ARG 22 52.349 -5.520 -12.754 164 2HG ARG 22 HG2 ARG 22 52.194 -4.596 -14.249 165 1HD ARG 22 HD1 ARG 22 49.948 -6.262 -13.054 166 2HD ARG 22 HD2 ARG 22 51.026 -6.822 -14.349 167 HE ARG 22 HE ARG 22 50.200 -4.437 -15.353 168 1HH1 ARG 22 HH11 ARG 22 47.818 -3.964 -13.983 169 2HH1 ARG 22 HH12 ARG 22 46.627 -4.983 -14.720 170 1HH2 ARG 22 HH21 ARG 22 48.955 -7.062 -16.230 171 2HH2 ARG 22 HH22 ARG 22 47.270 -6.736 -15.993 172 H SER 23 HN SER 23 53.170 -1.120 -10.869 173 HA SER 23 HA SER 23 55.246 -1.053 -12.945 174 1HB SER 23 HB1 SER 23 53.084 -0.253 -14.004 175 2HB SER 23 HB2 SER 23 54.396 0.921 -14.057 176 HG SER 23 HG SER 23 52.932 2.154 -13.178 177 HA PRO 24 HA PRO 24 57.190 1.360 -9.803 178 1HB PRO 24 HB1 PRO 24 59.149 1.297 -11.032 179 2HB PRO 24 HB2 PRO 24 58.816 3.027 -11.244 180 1HG PRO 24 HG1 PRO 24 59.100 1.376 -13.328 181 2HG PRO 24 HG2 PRO 24 57.953 2.723 -13.355 182 1HD PRO 24 HD1 PRO 24 57.450 -0.194 -13.080 183 2HD PRO 24 HD2 PRO 24 56.441 1.067 -13.822 184 H SER 25 HN SER 25 54.767 2.325 -9.806 185 HA SER 25 HA SER 25 55.052 5.222 -9.525 186 1HB SER 25 HB1 SER 25 53.276 4.023 -11.678 187 2HB SER 25 HB2 SER 25 54.750 4.943 -11.961 188 HG SER 25 HG SER 25 53.765 6.745 -11.502 189 H SER 26 HN SER 26 52.770 2.493 -9.822 190 HA SER 26 HA SER 26 50.599 3.604 -8.346 191 1HB SER 26 HB1 SER 26 49.852 1.309 -8.230 192 2HB SER 26 HB2 SER 26 51.498 0.710 -8.423 193 HG SER 26 HG SER 26 50.484 0.618 -10.406 194 H VAL 27 HN VAL 27 53.437 1.733 -7.247 195 HA VAL 27 HA VAL 27 52.630 2.242 -4.415 196 HB VAL 27 HB VAL 27 54.248 0.420 -3.942 197 1HG1 VAL 27 HG11 VAL 27 52.661 -0.714 -6.173 198 2HG1 VAL 27 HG12 VAL 27 51.748 0.184 -4.962 199 3HG1 VAL 27 HG13 VAL 27 52.728 -1.202 -4.481 200 1HG2 VAL 27 HG21 VAL 27 54.542 -0.384 -6.758 201 2HG2 VAL 27 HG22 VAL 27 55.751 -0.324 -5.476 202 3HG2 VAL 27 HG23 VAL 27 55.360 1.134 -6.386 203 H THR 28 HN THR 28 53.958 4.207 -6.320 204 HA THR 28 HA THR 28 56.176 4.971 -4.492 205 HB THR 28 HB THR 28 56.501 4.822 -7.498 206 HG1 THR 28 HG1 THR 28 57.325 2.975 -5.511 207 1HG2 THR 28 HG21 THR 28 58.815 4.610 -5.683 208 2HG2 THR 28 HG22 THR 28 57.979 6.160 -5.615 209 3HG2 THR 28 HG23 THR 28 58.616 5.570 -7.149 210 H GLY 29 HN GLY 29 53.376 5.974 -5.669 211 1HA GLY 29 HA1 GLY 29 53.377 8.177 -7.202 212 2HA GLY 29 HA2 GLY 29 54.254 8.792 -5.803 213 H ASN 30 HN ASN 30 52.434 6.806 -4.164 214 HA ASN 30 HA ASN 30 50.379 6.940 -3.003 215 1HB ASN 30 HB1 ASN 30 49.878 9.281 -2.332 216 2HB ASN 30 HB2 ASN 30 50.996 9.855 -3.570 217 1HD2 ASN 30 HD21 ASN 30 52.311 10.806 -1.767 218 2HD2 ASN 30 HD22 ASN 30 53.331 9.803 -0.855 219 H ALA 31 HN ALA 31 50.259 6.825 -6.059 220 HA ALA 31 HA ALA 31 47.871 8.435 -6.724 221 1HB ALA 31 HB1 ALA 31 49.220 6.309 -8.396 222 2HB ALA 31 HB2 ALA 31 49.932 7.908 -8.187 223 3HB ALA 31 HB3 ALA 31 48.350 7.741 -8.946 224 H LEU 32 HN LEU 32 48.631 4.945 -7.071 225 HA LEU 32 HA LEU 32 45.990 4.009 -7.427 226 1HB LEU 32 HB1 LEU 32 47.908 2.364 -5.843 227 2HB LEU 32 HB2 LEU 32 48.472 2.955 -7.405 228 HG LEU 32 HG LEU 32 45.773 1.982 -7.701 229 1HD1 LEU 32 HD11 LEU 32 47.902 0.297 -8.800 230 2HD1 LEU 32 HD12 LEU 32 48.171 2.010 -9.121 231 3HD1 LEU 32 HD13 LEU 32 46.672 1.243 -9.637 232 1HD2 LEU 32 HD21 LEU 32 45.748 -0.093 -6.733 233 2HD2 LEU 32 HD22 LEU 32 46.874 0.658 -5.602 234 3HD2 LEU 32 HD23 LEU 32 47.486 -0.321 -6.935 235 H TRP 33 HN TRP 33 47.554 5.088 -4.510 236 HA TRP 33 HA TRP 33 45.676 3.761 -2.681 237 1HB TRP 33 HB1 TRP 33 46.999 4.821 -0.968 238 2HB TRP 33 HB2 TRP 33 47.612 6.028 -2.095 239 HD1 TRP 33 HD1 TRP 33 49.548 5.345 -3.723 240 HE1 TRP 33 HE1 TRP 33 51.174 3.363 -3.782 241 HE3 TRP 33 HE3 TRP 33 47.256 2.207 -0.411 242 HZ2 TRP 33 HZ2 TRP 33 51.471 0.785 -2.607 243 HZ3 TRP 33 HZ3 TRP 33 48.235 -0.007 0.105 244 HH2 TRP 33 HH2 TRP 33 50.344 -0.722 -0.992 245 H LYS 34 HN LYS 34 46.371 7.159 -3.624 246 HA LYS 34 HA LYS 34 44.232 8.419 -2.248 247 1HB LYS 34 HB1 LYS 34 44.506 10.006 -4.367 248 2HB LYS 34 HB2 LYS 34 45.886 8.956 -4.692 249 1HG LYS 34 HG1 LYS 34 46.948 10.464 -3.323 250 2HG LYS 34 HG2 LYS 34 46.294 9.413 -2.067 251 1HD LYS 34 HD1 LYS 34 44.755 10.966 -1.392 252 2HD LYS 34 HD2 LYS 34 44.453 11.526 -3.037 253 1HE LYS 34 HE1 LYS 34 47.051 12.357 -2.640 254 2HE LYS 34 HE2 LYS 34 46.346 12.561 -1.022 255 1HZ LYS 34 HZ1 LYS 34 45.924 14.501 -2.427 256 2HZ LYS 34 HZ2 LYS 34 44.470 13.710 -2.043 257 3HZ LYS 34 HZ3 LYS 34 45.162 13.519 -3.582 258 H ALA 35 HN ALA 35 44.293 6.904 -5.476 259 HA ALA 35 HA ALA 35 41.587 7.634 -6.204 260 1HB ALA 35 HB1 ALA 35 42.120 6.489 -8.137 261 2HB ALA 35 HB2 ALA 35 42.873 5.157 -7.259 262 3HB ALA 35 HB3 ALA 35 43.752 6.667 -7.494 263 H MET 36 HN MET 36 43.054 4.859 -4.565 264 HA MET 36 HA MET 36 40.788 3.110 -4.537 265 1HB MET 36 HB1 MET 36 42.922 3.453 -2.407 266 2HB MET 36 HB2 MET 36 43.213 2.637 -3.944 267 1HG MET 36 HG1 MET 36 41.860 0.834 -3.395 268 2HG MET 36 HG2 MET 36 40.855 1.790 -2.304 269 1HE MET 36 HE1 MET 36 45.231 0.890 -1.571 270 2HE MET 36 HE2 MET 36 44.377 1.200 -3.081 271 3HE MET 36 HE3 MET 36 44.366 -0.419 -2.388 272 H GLU 37 HN GLU 37 41.867 5.608 -2.227 273 HA GLU 37 HA GLU 37 39.850 5.233 -0.246 274 1HB GLU 37 HB1 GLU 37 41.202 7.805 -1.122 275 2HB GLU 37 HB2 GLU 37 41.968 6.586 -0.103 276 1HG GLU 37 HG1 GLU 37 40.481 6.977 1.683 277 2HG GLU 37 HG2 GLU 37 39.292 7.761 0.641 278 H LYS 38 HN LYS 38 39.860 7.157 -3.236 279 HA LYS 38 HA LYS 38 37.147 8.208 -2.701 280 1HB LYS 38 HB1 LYS 38 38.597 8.547 -5.293 281 2HB LYS 38 HB2 LYS 38 39.319 9.264 -3.852 282 1HG LYS 38 HG1 LYS 38 36.946 10.229 -3.411 283 2HG LYS 38 HG2 LYS 38 36.638 9.847 -5.105 284 1HD LYS 38 HD1 LYS 38 39.146 11.332 -4.417 285 2HD LYS 38 HD2 LYS 38 37.620 12.217 -4.395 286 1HE LYS 38 HE1 LYS 38 37.267 11.904 -6.697 287 2HE LYS 38 HE2 LYS 38 38.307 10.466 -6.755 288 1HZ LYS 38 HZ1 LYS 38 40.219 11.827 -6.356 289 2HZ LYS 38 HZ2 LYS 38 39.263 13.208 -6.097 290 3HZ LYS 38 HZ3 LYS 38 39.368 12.523 -7.649 291 H SER 39 HN SER 39 38.599 5.521 -4.359 292 HA SER 39 HA SER 39 36.340 5.151 -6.222 293 1HB SER 39 HB1 SER 39 38.746 3.416 -5.572 294 2HB SER 39 HB2 SER 39 38.734 4.690 -6.787 295 HG SER 39 HG SER 39 37.491 2.203 -6.813 296 H SER 40 HN SER 40 37.896 2.951 -3.851 297 HA SER 40 HA SER 40 35.268 2.260 -2.684 298 1HB SER 40 HB1 SER 40 36.371 -0.231 -3.348 299 2HB SER 40 HB2 SER 40 36.624 0.756 -4.784 300 HG SER 40 HG SER 40 34.596 -0.131 -4.923 301 H LEU 41 HN LEU 41 36.177 2.907 -0.662 302 HA LEU 41 HA LEU 41 37.929 0.907 0.613 303 1HB LEU 41 HB1 LEU 41 38.759 3.801 0.670 304 2HB LEU 41 HB2 LEU 41 39.210 2.793 -0.699 305 HG LEU 41 HG LEU 41 41.006 2.806 0.970 306 1HD1 LEU 41 HD11 LEU 41 39.413 1.308 2.973 307 2HD1 LEU 41 HD12 LEU 41 39.070 3.034 2.841 308 3HD1 LEU 41 HD13 LEU 41 40.704 2.484 3.206 309 1HD2 LEU 41 HD21 LEU 41 39.707 0.104 1.259 310 2HD2 LEU 41 HD22 LEU 41 41.408 0.495 1.002 311 3HD2 LEU 41 HD23 LEU 41 40.255 0.660 -0.324 312 H THR 42 HN THR 42 37.515 0.829 2.824 313 HA THR 42 HA THR 42 35.198 1.998 3.952 314 HB THR 42 HB THR 42 36.461 1.361 6.131 315 HG1 THR 42 HG1 THR 42 38.525 1.254 5.696 316 1HG2 THR 42 HG21 THR 42 36.151 -1.021 5.668 317 2HG2 THR 42 HG22 THR 42 36.159 -0.705 3.934 318 3HG2 THR 42 HG23 THR 42 34.841 -0.097 4.935 319 H GLN 43 HN GLN 43 35.701 3.230 6.282 320 HA GLN 43 HA GLN 43 36.412 5.930 5.533 321 1HB GLN 43 HB1 GLN 43 36.301 5.985 8.226 322 2HB GLN 43 HB2 GLN 43 35.531 4.424 7.947 323 1HG GLN 43 HG1 GLN 43 33.620 5.443 7.323 324 2HG GLN 43 HG2 GLN 43 34.472 6.336 6.065 325 1HE2 GLN 43 HE21 GLN 43 32.364 7.103 8.272 326 2HE2 GLN 43 HE22 GLN 43 33.021 8.516 8.945 327 H HIS 44 HN HIS 44 38.642 5.670 4.772 328 HA HIS 44 HA HIS 44 40.587 5.888 6.994 329 1HB HIS 44 HB1 HIS 44 41.887 4.137 5.292 330 2HB HIS 44 HB2 HIS 44 40.216 3.569 5.212 331 HD1 HIS 44 HD1 HIS 44 42.918 4.355 7.753 332 HD2 HIS 44 HD2 HIS 44 39.337 2.246 7.504 333 HE1 HIS 44 HE1 HIS 44 42.651 3.143 9.951 334 H SER 45 HN SER 45 42.728 6.617 6.208 335 HA SER 45 HA SER 45 42.417 8.452 3.885 336 1HB SER 45 HB1 SER 45 43.340 9.656 5.622 337 2HB SER 45 HB2 SER 45 44.830 9.045 4.916 338 HG SER 45 HG SER 45 45.150 8.219 6.805 339 H TRP 46 HN TRP 46 43.854 8.414 2.111 340 HA TRP 46 HA TRP 46 44.725 5.902 1.132 341 1HB TRP 46 HB1 TRP 46 44.257 8.136 -0.058 342 2HB TRP 46 HB2 TRP 46 45.628 7.209 -0.667 343 HD1 TRP 46 HD1 TRP 46 44.740 10.522 0.860 344 HE1 TRP 46 HE1 TRP 46 46.884 11.923 1.188 345 HE3 TRP 46 HE3 TRP 46 48.268 6.952 -0.050 346 HZ2 TRP 46 HZ2 TRP 46 49.729 11.563 1.084 347 HZ3 TRP 46 HZ3 TRP 46 50.680 7.497 0.074 348 HH2 TRP 46 HH2 TRP 46 51.414 9.789 0.642 349 H GLN 47 HN GLN 47 46.461 8.345 3.017 350 HA GLN 47 HA GLN 47 49.095 7.187 2.758 351 1HB GLN 47 HB1 GLN 47 48.320 8.736 5.180 352 2HB GLN 47 HB2 GLN 47 48.081 9.533 3.624 353 1HG GLN 47 HG1 GLN 47 50.471 8.897 3.059 354 2HG GLN 47 HG2 GLN 47 50.656 8.384 4.736 355 1HE2 GLN 47 HE21 GLN 47 50.215 10.129 6.423 356 2HE2 GLN 47 HE22 GLN 47 50.555 11.743 6.021 357 H SER 48 HN SER 48 46.439 6.756 5.076 358 HA SER 48 HA SER 48 47.791 5.293 7.101 359 1HB SER 48 HB1 SER 48 44.973 5.087 5.985 360 2HB SER 48 HB2 SER 48 45.504 6.119 7.309 361 HG SER 48 HG SER 48 45.485 3.290 7.266 362 H LEU 49 HN LEU 49 45.858 3.925 4.415 363 HA LEU 49 HA LEU 49 46.826 1.238 4.778 364 1HB LEU 49 HB1 LEU 49 44.768 1.472 3.630 365 2HB LEU 49 HB2 LEU 49 45.901 0.985 2.380 366 HG LEU 49 HG LEU 49 46.065 3.779 2.386 367 1HD1 LEU 49 HD11 LEU 49 45.691 3.446 0.178 368 2HD1 LEU 49 HD12 LEU 49 44.124 2.693 0.470 369 3HD1 LEU 49 HD13 LEU 49 45.597 1.731 0.573 370 1HD2 LEU 49 HD21 LEU 49 43.994 3.774 3.810 371 2HD2 LEU 49 HD22 LEU 49 43.157 2.920 2.516 372 3HD2 LEU 49 HD23 LEU 49 43.758 4.556 2.247 373 H LYS 50 HN LYS 50 48.136 4.020 3.090 374 HA LYS 50 HA LYS 50 50.004 2.575 1.398 375 1HB LYS 50 HB1 LYS 50 50.061 5.396 2.546 376 2HB LYS 50 HB2 LYS 50 49.293 4.930 1.028 377 1HG LYS 50 HG1 LYS 50 52.228 4.437 1.578 378 2HG LYS 50 HG2 LYS 50 51.642 5.931 0.844 379 1HD LYS 50 HD1 LYS 50 50.810 4.789 -1.062 380 2HD LYS 50 HD2 LYS 50 50.891 3.222 -0.259 381 1HE LYS 50 HE1 LYS 50 52.769 3.341 -1.788 382 2HE LYS 50 HE2 LYS 50 53.428 3.554 -0.153 383 1HZ LYS 50 HZ1 LYS 50 53.159 5.979 -0.480 384 2HZ LYS 50 HZ2 LYS 50 52.688 5.695 -2.089 385 3HZ LYS 50 HZ3 LYS 50 54.259 5.296 -1.577 386 H ASP 51 HN ASP 51 50.114 3.973 4.656 387 HA ASP 51 HA ASP 51 52.906 3.469 5.181 388 1HB ASP 51 HB1 ASP 51 50.793 3.452 7.313 389 2HB ASP 51 HB2 ASP 51 51.019 4.920 6.361 390 H ARG 52 HN ARG 52 49.967 1.530 5.487 391 HA ARG 52 HA ARG 52 51.062 -0.592 7.103 392 1HB ARG 52 HB1 ARG 52 48.769 -0.340 5.130 393 2HB ARG 52 HB2 ARG 52 48.682 -0.319 6.886 394 1HG ARG 52 HG1 ARG 52 49.297 -2.699 5.115 395 2HG ARG 52 HG2 ARG 52 47.893 -2.476 6.147 396 1HD ARG 52 HD1 ARG 52 50.061 -2.197 7.903 397 2HD ARG 52 HD2 ARG 52 50.529 -3.534 6.835 398 HE ARG 52 HE ARG 52 48.037 -3.434 8.486 399 1HH1 ARG 52 HH11 ARG 52 48.805 -5.604 9.590 400 2HH1 ARG 52 HH12 ARG 52 48.770 -6.931 8.477 401 1HH2 ARG 52 HH21 ARG 52 48.619 -4.913 5.662 402 2HH2 ARG 52 HH22 ARG 52 48.668 -6.539 6.255 403 H TYR 53 HN TYR 53 51.110 0.109 3.639 404 HA TYR 53 HA TYR 53 52.047 -2.469 2.743 405 1HB TYR 53 HB1 TYR 53 52.823 0.072 1.375 406 2HB TYR 53 HB2 TYR 53 51.101 -0.282 1.542 407 HD1 TYR 53 HD1 TYR 53 53.949 -0.788 -0.474 408 HD2 TYR 53 HD2 TYR 53 50.448 -2.805 0.979 409 HE1 TYR 53 HE1 TYR 53 54.113 -2.416 -2.336 410 HE2 TYR 53 HE2 TYR 53 50.610 -4.433 -0.882 411 HH TYR 53 HH TYR 53 52.309 -3.961 -3.590 412 H LEU 54 HN LEU 54 53.713 0.506 3.767 413 HA LEU 54 HA LEU 54 56.370 -0.737 3.353 414 1HB LEU 54 HB1 LEU 54 57.075 1.561 4.174 415 2HB LEU 54 HB2 LEU 54 55.359 1.958 4.288 416 HG LEU 54 HG LEU 54 55.401 0.966 1.784 417 1HD1 LEU 54 HD11 LEU 54 55.812 3.688 2.926 418 2HD1 LEU 54 HD12 LEU 54 54.503 3.079 1.912 419 3HD1 LEU 54 HD13 LEU 54 56.054 3.503 1.188 420 1HD2 LEU 54 HD21 LEU 54 58.039 0.807 2.304 421 2HD2 LEU 54 HD22 LEU 54 57.973 2.471 1.721 422 3HD2 LEU 54 HD23 LEU 54 57.417 1.153 0.690 423 H LYS 55 HN LYS 55 54.094 -0.171 5.948 424 HA LYS 55 HA LYS 55 55.779 -0.103 8.222 425 1HB LYS 55 HB1 LYS 55 53.624 -1.439 9.131 426 2HB LYS 55 HB2 LYS 55 52.990 -0.922 7.567 427 1HG LYS 55 HG1 LYS 55 52.441 0.875 8.990 428 2HG LYS 55 HG2 LYS 55 53.933 1.417 8.219 429 1HD LYS 55 HD1 LYS 55 54.971 0.091 10.338 430 2HD LYS 55 HD2 LYS 55 53.434 0.604 11.037 431 1HE LYS 55 HE1 LYS 55 54.228 2.909 9.780 432 2HE LYS 55 HE2 LYS 55 55.790 2.226 10.275 433 1HZ LYS 55 HZ1 LYS 55 54.825 1.855 12.495 434 2HZ LYS 55 HZ2 LYS 55 53.390 2.616 11.997 435 3HZ LYS 55 HZ3 LYS 55 54.837 3.501 12.083 436 H HIS 56 HN HIS 56 54.070 -3.035 7.037 437 HA HIS 56 HA HIS 56 56.508 -4.635 7.544 438 1HB HIS 56 HB1 HIS 56 55.518 -4.644 9.717 439 2HB HIS 56 HB2 HIS 56 55.127 -6.198 8.996 440 HD1 HIS 56 HD1 HIS 56 53.350 -5.254 11.233 441 HD2 HIS 56 HD2 HIS 56 52.585 -4.328 7.241 442 HE1 HIS 56 HE1 HIS 56 50.876 -4.749 11.078 443 H LEU 57 HN LEU 57 54.478 -3.951 5.266 444 HA LEU 57 HA LEU 57 53.528 -6.683 4.584 445 1HB LEU 57 HB1 LEU 57 52.790 -5.184 2.497 446 2HB LEU 57 HB2 LEU 57 53.102 -3.878 3.634 447 HG LEU 57 HG LEU 57 51.565 -4.905 5.251 448 1HD1 LEU 57 HD11 LEU 57 50.500 -4.443 2.457 449 2HD1 LEU 57 HD12 LEU 57 50.589 -3.282 3.779 450 3HD1 LEU 57 HD13 LEU 57 49.453 -4.628 3.864 451 1HD2 LEU 57 HD21 LEU 57 51.700 -7.116 3.295 452 2HD2 LEU 57 HD22 LEU 57 50.065 -6.745 3.844 453 3HD2 LEU 57 HD23 LEU 57 51.314 -7.163 5.016 454 H ARG 58 HN ARG 58 55.228 -4.114 2.761 455 HA ARG 58 HA ARG 58 56.447 -6.022 0.933 456 1HB ARG 58 HB1 ARG 58 57.611 -3.322 1.160 457 2HB ARG 58 HB2 ARG 58 55.857 -3.322 0.987 458 1HG ARG 58 HG1 ARG 58 55.943 -4.421 -1.094 459 2HG ARG 58 HG2 ARG 58 57.575 -5.027 -0.811 460 1HD ARG 58 HD1 ARG 58 58.384 -2.627 -0.884 461 2HD ARG 58 HD2 ARG 58 56.752 -2.162 -1.401 462 HE ARG 58 HE ARG 58 58.230 -4.283 -2.901 463 1HH1 ARG 58 HH11 ARG 58 55.781 -3.600 -4.176 464 2HH1 ARG 58 HH12 ARG 58 56.176 -2.283 -5.229 465 1HH2 ARG 58 HH21 ARG 58 59.148 -1.531 -3.613 466 2HH2 ARG 58 HH22 ARG 58 58.081 -1.112 -4.911 467 H GLY 59 HN GLY 59 59.009 -5.566 0.624 468 1HA GLY 59 HA1 GLY 59 60.730 -6.889 1.970 469 2HA GLY 59 HA2 GLY 59 60.288 -5.836 3.315 Start of MODEL 6 1 1H GLY 1 HT1 GLY 1 47.989 3.536 19.593 2 2H GLY 1 HT2 GLY 1 47.618 2.722 18.149 3 3H GLY 1 HT3 GLY 1 46.575 3.926 18.743 4 1HA GLY 1 HA1 GLY 1 49.173 4.208 17.401 5 2HA GLY 1 HA2 GLY 1 48.651 5.445 18.544 6 H ARG 2 HN ARG 2 48.182 4.100 15.388 7 HA ARG 2 HA ARG 2 46.420 6.374 14.671 8 1HB ARG 2 HB1 ARG 2 46.874 5.017 12.371 9 2HB ARG 2 HB2 ARG 2 48.230 4.426 13.329 10 1HG ARG 2 HG1 ARG 2 47.875 7.315 13.622 11 2HG ARG 2 HG2 ARG 2 48.109 6.853 11.936 12 1HD ARG 2 HD1 ARG 2 49.921 5.519 13.876 13 2HD ARG 2 HD2 ARG 2 50.176 7.260 13.654 14 HE ARG 2 HE ARG 2 49.782 5.966 11.101 15 1HH1 ARG 2 HH11 ARG 2 51.820 7.868 10.971 16 2HH1 ARG 2 HH12 ARG 2 53.306 7.000 11.162 17 1HH2 ARG 2 HH21 ARG 2 51.796 4.185 12.514 18 2HH2 ARG 2 HH22 ARG 2 53.293 4.914 12.035 19 H ILE 3 HN ILE 3 44.929 5.368 12.618 20 HA ILE 3 HA ILE 3 42.708 4.102 13.890 21 HB ILE 3 HB ILE 3 42.608 5.497 11.856 22 1HG1 ILE 3 HG11 ILE 3 41.006 3.450 12.398 23 2HG1 ILE 3 HG12 ILE 3 41.705 2.800 10.916 24 1HG2 ILE 3 HG21 ILE 3 43.287 4.356 9.672 25 2HG2 ILE 3 HG22 ILE 3 44.175 3.201 10.666 26 3HG2 ILE 3 HG23 ILE 3 44.609 4.910 10.699 27 1HD1 ILE 3 HD11 ILE 3 39.572 4.570 11.056 28 2HD1 ILE 3 HD12 ILE 3 40.542 4.249 9.620 29 3HD1 ILE 3 HD13 ILE 3 40.934 5.619 10.660 30 H ALA 4 HN ALA 4 41.868 1.916 13.511 31 HA ALA 4 HA ALA 4 44.013 -0.119 13.483 32 1HB ALA 4 HB1 ALA 4 42.113 -1.575 14.199 33 2HB ALA 4 HB2 ALA 4 41.018 -0.213 13.964 34 3HB ALA 4 HB3 ALA 4 42.270 -0.134 15.204 35 H PHE 5 HN PHE 5 43.269 -2.262 12.304 36 HA PHE 5 HA PHE 5 42.053 -1.635 9.641 37 1HB PHE 5 HB1 PHE 5 44.044 -3.321 8.951 38 2HB PHE 5 HB2 PHE 5 44.786 -2.576 10.368 39 HD1 PHE 5 HD1 PHE 5 45.260 -0.167 10.427 40 HD2 PHE 5 HD2 PHE 5 43.538 -2.022 6.956 41 HE1 PHE 5 HE1 PHE 5 45.790 1.850 9.087 42 HE2 PHE 5 HE2 PHE 5 44.068 -0.003 5.615 43 HZ PHE 5 HZ PHE 5 45.194 1.933 6.680 44 H THR 6 HN THR 6 40.336 -3.020 9.484 45 HA THR 6 HA THR 6 40.172 -5.499 11.025 46 HB THR 6 HB THR 6 38.006 -5.649 9.655 47 HG1 THR 6 HG1 THR 6 38.778 -4.403 7.903 48 1HG2 THR 6 HG21 THR 6 38.333 -4.516 11.929 49 2HG2 THR 6 HG22 THR 6 36.939 -3.991 10.985 50 3HG2 THR 6 HG23 THR 6 38.392 -2.994 11.040 51 H ASP 7 HN ASP 7 39.409 -7.534 9.716 52 HA ASP 7 HA ASP 7 41.569 -8.423 8.039 53 1HB ASP 7 HB1 ASP 7 39.909 -10.347 7.657 54 2HB ASP 7 HB2 ASP 7 38.787 -9.440 8.672 55 H ALA 8 HN ALA 8 38.191 -7.517 7.266 56 HA ALA 8 HA ALA 8 38.246 -7.985 4.470 57 1HB ALA 8 HB1 ALA 8 36.820 -5.833 6.071 58 2HB ALA 8 HB2 ALA 8 36.247 -7.485 5.835 59 3HB ALA 8 HB3 ALA 8 36.355 -6.384 4.461 60 H ASP 9 HN ASP 9 39.680 -5.398 6.348 61 HA ASP 9 HA ASP 9 40.055 -3.577 4.084 62 1HB ASP 9 HB1 ASP 9 41.596 -2.520 5.914 63 2HB ASP 9 HB2 ASP 9 40.910 -3.755 6.970 64 H ASP 10 HN ASP 10 42.164 -5.736 6.014 65 HA ASP 10 HA ASP 10 44.604 -5.203 4.616 66 1HB ASP 10 HB1 ASP 10 44.953 -7.708 5.508 67 2HB ASP 10 HB2 ASP 10 43.464 -7.333 6.375 68 H VAL 11 HN VAL 11 42.116 -7.718 4.115 69 HA VAL 11 HA VAL 11 43.438 -9.018 1.903 70 HB VAL 11 HB VAL 11 40.509 -8.852 2.704 71 1HG1 VAL 11 HG11 VAL 11 41.668 -11.252 1.376 72 2HG1 VAL 11 HG12 VAL 11 41.406 -9.838 0.357 73 3HG1 VAL 11 HG13 VAL 11 40.055 -10.556 1.232 74 1HG2 VAL 11 HG21 VAL 11 42.808 -10.622 3.551 75 2HG2 VAL 11 HG22 VAL 11 41.130 -11.133 3.736 76 3HG2 VAL 11 HG23 VAL 11 41.711 -9.694 4.573 77 H ALA 12 HN ALA 12 41.051 -6.387 2.117 78 HA ALA 12 HA ALA 12 40.563 -6.171 -0.726 79 1HB ALA 12 HB1 ALA 12 39.683 -3.900 0.018 80 2HB ALA 12 HB2 ALA 12 40.259 -4.295 1.637 81 3HB ALA 12 HB3 ALA 12 39.003 -5.278 0.883 82 H ILE 13 HN ILE 13 42.633 -4.284 1.511 83 HA ILE 13 HA ILE 13 43.798 -2.541 -0.422 84 HB ILE 13 HB ILE 13 44.873 -3.713 2.171 85 1HG1 ILE 13 HG11 ILE 13 42.656 -2.389 2.127 86 2HG1 ILE 13 HG12 ILE 13 43.645 -0.989 1.715 87 1HG2 ILE 13 HG21 ILE 13 46.730 -2.758 0.953 88 2HG2 ILE 13 HG22 ILE 13 46.259 -1.599 2.196 89 3HG2 ILE 13 HG23 ILE 13 45.780 -1.337 0.519 90 1HD1 ILE 13 HD11 ILE 13 44.427 -2.702 4.055 91 2HD1 ILE 13 HD12 ILE 13 43.121 -1.532 4.244 92 3HD1 ILE 13 HD13 ILE 13 44.732 -0.987 3.778 93 H LEU 14 HN LEU 14 45.023 -5.654 0.867 94 HA LEU 14 HA LEU 14 47.383 -5.853 -0.703 95 1HB LEU 14 HB1 LEU 14 45.465 -7.947 0.374 96 2HB LEU 14 HB2 LEU 14 46.870 -7.283 1.205 97 HG LEU 14 HG LEU 14 47.025 -8.805 -1.409 98 1HD1 LEU 14 HD11 LEU 14 49.436 -8.946 -0.782 99 2HD1 LEU 14 HD12 LEU 14 49.105 -7.932 0.623 100 3HD1 LEU 14 HD13 LEU 14 48.898 -7.281 -1.003 101 1HD2 LEU 14 HD21 LEU 14 47.864 -10.686 -0.025 102 2HD2 LEU 14 HD22 LEU 14 46.201 -10.270 0.391 103 3HD2 LEU 14 HD23 LEU 14 47.525 -9.752 1.433 104 H THR 15 HN THR 15 44.265 -7.512 -1.350 105 HA THR 15 HA THR 15 44.843 -8.411 -3.974 106 HB THR 15 HB THR 15 42.169 -7.457 -2.901 107 HG1 THR 15 HG1 THR 15 43.566 -9.891 -2.505 108 1HG2 THR 15 HG21 THR 15 41.300 -9.310 -4.296 109 2HG2 THR 15 HG22 THR 15 42.939 -9.642 -4.856 110 3HG2 THR 15 HG23 THR 15 42.160 -8.114 -5.267 111 H TYR 16 HN TYR 16 43.222 -5.382 -2.961 112 HA TYR 16 HA TYR 16 42.775 -4.255 -5.538 113 1HB TYR 16 HB1 TYR 16 43.387 -3.007 -2.834 114 2HB TYR 16 HB2 TYR 16 41.792 -3.423 -3.454 115 HD1 TYR 16 HD1 TYR 16 44.672 -1.128 -3.818 116 HD2 TYR 16 HD2 TYR 16 40.660 -2.020 -5.069 117 HE1 TYR 16 HE1 TYR 16 44.502 1.111 -4.869 118 HE2 TYR 16 HE2 TYR 16 40.492 0.219 -6.122 119 HH TYR 16 HH TYR 16 43.225 2.246 -6.580 120 H VAL 17 HN VAL 17 45.494 -3.656 -3.285 121 HA VAL 17 HA VAL 17 47.059 -2.030 -5.034 122 HB VAL 17 HB VAL 17 47.783 -3.897 -2.746 123 1HG1 VAL 17 HG11 VAL 17 49.865 -3.491 -3.757 124 2HG1 VAL 17 HG12 VAL 17 49.748 -2.188 -2.574 125 3HG1 VAL 17 HG13 VAL 17 49.403 -1.869 -4.274 126 1HG2 VAL 17 HG21 VAL 17 47.436 -2.069 -1.326 127 2HG2 VAL 17 HG22 VAL 17 46.152 -1.850 -2.515 128 3HG2 VAL 17 HG23 VAL 17 47.632 -0.897 -2.629 129 H LYS 18 HN LYS 18 47.285 -5.544 -4.363 130 HA LYS 18 HA LYS 18 49.377 -6.074 -6.266 131 1HB LYS 18 HB1 LYS 18 47.323 -8.124 -5.537 132 2HB LYS 18 HB2 LYS 18 48.270 -7.402 -4.235 133 1HG LYS 18 HG1 LYS 18 50.336 -7.940 -5.668 134 2HG LYS 18 HG2 LYS 18 49.262 -8.958 -6.630 135 1HD LYS 18 HD1 LYS 18 48.838 -10.416 -4.828 136 2HD LYS 18 HD2 LYS 18 49.362 -9.233 -3.630 137 1HE LYS 18 HE1 LYS 18 51.311 -10.455 -3.659 138 2HE LYS 18 HE2 LYS 18 51.648 -9.532 -5.137 139 1HZ LYS 18 HZ1 LYS 18 50.357 -11.266 -6.350 140 2HZ LYS 18 HZ2 LYS 18 50.296 -12.176 -4.916 141 3HZ LYS 18 HZ3 LYS 18 51.790 -11.852 -5.658 142 H GLU 19 HN GLU 19 45.992 -5.463 -6.730 143 HA GLU 19 HA GLU 19 45.928 -6.894 -9.336 144 1HB GLU 19 HB1 GLU 19 43.495 -5.986 -9.155 145 2HB GLU 19 HB2 GLU 19 43.943 -5.560 -7.504 146 1HG GLU 19 HG1 GLU 19 43.189 -7.709 -7.126 147 2HG GLU 19 HG2 GLU 19 44.867 -8.079 -7.532 148 H ASN 20 HN ASN 20 46.514 -3.702 -8.123 149 HA ASN 20 HA ASN 20 45.951 -2.547 -10.839 150 1HB ASN 20 HB1 ASN 20 45.516 -0.465 -9.720 151 2HB ASN 20 HB2 ASN 20 46.189 -1.062 -8.209 152 1HD2 ASN 20 HD21 ASN 20 44.318 -0.902 -6.905 153 2HD2 ASN 20 HD22 ASN 20 42.889 -1.768 -7.204 154 H ALA 21 HN ALA 21 48.064 -1.955 -7.998 155 HA ALA 21 HA ALA 21 50.036 -0.392 -9.194 156 1HB ALA 21 HB1 ALA 21 51.523 -1.475 -7.404 157 2HB ALA 21 HB2 ALA 21 50.141 -2.505 -7.033 158 3HB ALA 21 HB3 ALA 21 50.017 -0.756 -6.836 159 H ARG 22 HN ARG 22 51.148 -3.679 -8.419 160 HA ARG 22 HA ARG 22 52.555 -5.127 -9.646 161 1HB ARG 22 HB1 ARG 22 50.926 -4.144 -12.000 162 2HB ARG 22 HB2 ARG 22 50.232 -5.184 -10.757 163 1HG ARG 22 HG1 ARG 22 51.514 -7.005 -11.376 164 2HG ARG 22 HG2 ARG 22 52.839 -6.004 -11.969 165 1HD ARG 22 HD1 ARG 22 51.876 -6.845 -13.964 166 2HD ARG 22 HD2 ARG 22 51.091 -5.261 -13.798 167 HE ARG 22 HE ARG 22 49.108 -6.398 -12.959 168 1HH1 ARG 22 HH11 ARG 22 49.210 -8.596 -11.525 169 2HH1 ARG 22 HH12 ARG 22 49.343 -9.972 -12.570 170 1HH2 ARG 22 HH21 ARG 22 50.371 -8.119 -15.317 171 2HH2 ARG 22 HH22 ARG 22 50.000 -9.701 -14.717 172 H SER 23 HN SER 23 53.252 -2.141 -9.503 173 HA SER 23 HA SER 23 55.560 -2.212 -11.268 174 1HB SER 23 HB1 SER 23 53.534 -1.741 -12.760 175 2HB SER 23 HB2 SER 23 54.841 -0.566 -12.861 176 HG SER 23 HG SER 23 53.600 0.899 -12.046 177 HA PRO 24 HA PRO 24 56.672 0.823 -8.239 178 1HB PRO 24 HB1 PRO 24 58.878 0.262 -8.656 179 2HB PRO 24 HB2 PRO 24 58.913 1.873 -9.400 180 1HG PRO 24 HG1 PRO 24 59.529 -0.400 -10.734 181 2HG PRO 24 HG2 PRO 24 58.831 1.025 -11.516 182 1HD PRO 24 HD1 PRO 24 57.618 -1.594 -10.962 183 2HD PRO 24 HD2 PRO 24 57.125 -0.342 -12.121 184 H SER 25 HN SER 25 54.546 1.865 -9.477 185 HA SER 25 HA SER 25 55.306 4.689 -9.971 186 1HB SER 25 HB1 SER 25 53.895 2.870 -11.942 187 2HB SER 25 HB2 SER 25 55.418 3.720 -12.180 188 HG SER 25 HG SER 25 53.004 4.597 -12.724 189 H SER 26 HN SER 26 52.559 2.375 -10.043 190 HA SER 26 HA SER 26 50.498 4.255 -9.425 191 1HB SER 26 HB1 SER 26 49.172 2.323 -9.146 192 2HB SER 26 HB2 SER 26 50.512 1.391 -8.486 193 HG SER 26 HG SER 26 49.919 2.014 -11.138 194 H VAL 27 HN VAL 27 52.639 2.339 -7.343 195 HA VAL 27 HA VAL 27 51.416 3.573 -4.918 196 HB VAL 27 HB VAL 27 52.709 1.789 -3.758 197 1HG1 VAL 27 HG11 VAL 27 51.534 -0.165 -4.895 198 2HG1 VAL 27 HG12 VAL 27 50.995 0.986 -6.118 199 3HG1 VAL 27 HG13 VAL 27 50.495 1.185 -4.439 200 1HG2 VAL 27 HG21 VAL 27 54.527 1.836 -5.630 201 2HG2 VAL 27 HG22 VAL 27 53.459 0.719 -6.477 202 3HG2 VAL 27 HG23 VAL 27 54.120 0.283 -4.902 203 H THR 28 HN THR 28 53.129 5.135 -6.732 204 HA THR 28 HA THR 28 55.437 5.670 -4.891 205 HB THR 28 HB THR 28 55.244 5.965 -7.905 206 HG1 THR 28 HG1 THR 28 55.444 3.856 -7.587 207 1HG2 THR 28 HG21 THR 28 57.745 6.237 -7.682 208 2HG2 THR 28 HG22 THR 28 57.512 6.363 -5.938 209 3HG2 THR 28 HG23 THR 28 56.805 7.571 -7.012 210 H GLY 29 HN GLY 29 53.082 7.079 -7.167 211 1HA GLY 29 HA1 GLY 29 52.870 9.481 -7.587 212 2HA GLY 29 HA2 GLY 29 53.682 9.780 -6.052 213 H ASN 30 HN ASN 30 52.093 7.766 -4.603 214 HA ASN 30 HA ASN 30 50.050 7.610 -3.419 215 1HB ASN 30 HB1 ASN 30 49.139 9.847 -2.837 216 2HB ASN 30 HB2 ASN 30 50.134 10.564 -4.102 217 1HD2 ASN 30 HD21 ASN 30 51.075 11.797 -2.155 218 2HD2 ASN 30 HD22 ASN 30 52.333 11.058 -1.288 219 H ALA 31 HN ALA 31 49.893 7.119 -6.329 220 HA ALA 31 HA ALA 31 47.365 8.380 -7.199 221 1HB ALA 31 HB1 ALA 31 48.286 6.252 -8.901 222 2HB ALA 31 HB2 ALA 31 49.682 7.193 -8.378 223 3HB ALA 31 HB3 ALA 31 48.341 7.988 -9.200 224 H LEU 32 HN LEU 32 48.491 4.977 -6.986 225 HA LEU 32 HA LEU 32 45.884 3.814 -7.097 226 1HB LEU 32 HB1 LEU 32 48.090 2.486 -5.574 227 2HB LEU 32 HB2 LEU 32 48.402 2.905 -7.260 228 HG LEU 32 HG LEU 32 45.858 1.497 -6.481 229 1HD1 LEU 32 HD11 LEU 32 46.804 2.524 -8.857 230 2HD1 LEU 32 HD12 LEU 32 45.600 1.243 -8.724 231 3HD1 LEU 32 HD13 LEU 32 47.298 0.834 -8.969 232 1HD2 LEU 32 HD21 LEU 32 46.872 -0.587 -6.406 233 2HD2 LEU 32 HD22 LEU 32 48.148 0.395 -5.686 234 3HD2 LEU 32 HD23 LEU 32 48.242 -0.066 -7.384 235 H TRP 33 HN TRP 33 47.679 5.221 -4.433 236 HA TRP 33 HA TRP 33 46.059 4.000 -2.323 237 1HB TRP 33 HB1 TRP 33 47.361 5.545 -0.899 238 2HB TRP 33 HB2 TRP 33 47.923 6.405 -2.333 239 HD1 TRP 33 HD1 TRP 33 50.252 5.701 -3.032 240 HE1 TRP 33 HE1 TRP 33 51.642 3.537 -2.953 241 HE3 TRP 33 HE3 TRP 33 46.882 2.563 -0.818 242 HZ2 TRP 33 HZ2 TRP 33 51.361 0.835 -2.088 243 HZ3 TRP 33 HZ3 TRP 33 47.476 0.196 -0.379 244 HH2 TRP 33 HH2 TRP 33 49.711 -0.670 -1.008 245 H LYS 34 HN LYS 34 46.394 7.359 -3.534 246 HA LYS 34 HA LYS 34 44.189 8.511 -2.169 247 1HB LYS 34 HB1 LYS 34 44.276 10.059 -4.271 248 2HB LYS 34 HB2 LYS 34 45.627 9.039 -4.769 249 1HG LYS 34 HG1 LYS 34 46.672 10.775 -3.568 250 2HG LYS 34 HG2 LYS 34 46.543 9.482 -2.375 251 1HD LYS 34 HD1 LYS 34 44.696 10.513 -1.303 252 2HD LYS 34 HD2 LYS 34 44.381 11.570 -2.678 253 1HE LYS 34 HE1 LYS 34 47.034 11.759 -1.268 254 2HE LYS 34 HE2 LYS 34 45.609 12.552 -0.566 255 1HZ LYS 34 HZ1 LYS 34 46.631 14.059 -2.109 256 2HZ LYS 34 HZ2 LYS 34 45.191 13.498 -2.814 257 3HZ LYS 34 HZ3 LYS 34 46.688 12.875 -3.322 258 H ALA 35 HN ALA 35 44.291 7.131 -5.473 259 HA ALA 35 HA ALA 35 41.558 7.521 -6.154 260 1HB ALA 35 HB1 ALA 35 43.781 5.676 -6.963 261 2HB ALA 35 HB2 ALA 35 42.963 6.918 -7.911 262 3HB ALA 35 HB3 ALA 35 42.162 5.378 -7.598 263 H MET 36 HN MET 36 43.138 4.875 -4.389 264 HA MET 36 HA MET 36 40.949 3.040 -4.311 265 1HB MET 36 HB1 MET 36 43.121 3.591 -2.261 266 2HB MET 36 HB2 MET 36 43.318 2.581 -3.694 267 1HG MET 36 HG1 MET 36 42.109 0.852 -2.800 268 2HG MET 36 HG2 MET 36 40.995 1.929 -1.961 269 1HE MET 36 HE1 MET 36 44.121 -0.573 -0.306 270 2HE MET 36 HE2 MET 36 44.821 0.359 -1.628 271 3HE MET 36 HE3 MET 36 43.320 -0.529 -1.884 272 H GLU 37 HN GLU 37 41.861 5.693 -2.105 273 HA GLU 37 HA GLU 37 39.842 5.286 -0.126 274 1HB GLU 37 HB1 GLU 37 41.187 7.819 -1.136 275 2HB GLU 37 HB2 GLU 37 41.820 6.742 0.107 276 1HG GLU 37 HG1 GLU 37 40.771 8.178 1.535 277 2HG GLU 37 HG2 GLU 37 39.330 7.257 1.103 278 H LYS 38 HN LYS 38 39.773 6.914 -3.260 279 HA LYS 38 HA LYS 38 37.021 7.920 -2.822 280 1HB LYS 38 HB1 LYS 38 38.482 8.067 -5.429 281 2HB LYS 38 HB2 LYS 38 39.149 8.958 -4.061 282 1HG LYS 38 HG1 LYS 38 37.640 10.441 -5.226 283 2HG LYS 38 HG2 LYS 38 36.853 9.966 -3.721 284 1HD LYS 38 HD1 LYS 38 35.247 8.735 -4.799 285 2HD LYS 38 HD2 LYS 38 36.355 8.210 -6.068 286 1HE LYS 38 HE1 LYS 38 36.221 10.455 -7.111 287 2HE LYS 38 HE2 LYS 38 35.110 10.979 -5.830 288 1HZ LYS 38 HZ1 LYS 38 34.007 10.110 -7.894 289 2HZ LYS 38 HZ2 LYS 38 33.560 9.306 -6.465 290 3HZ LYS 38 HZ3 LYS 38 34.661 8.586 -7.539 291 H SER 39 HN SER 39 38.676 5.254 -4.383 292 HA SER 39 HA SER 39 36.497 4.560 -6.200 293 1HB SER 39 HB1 SER 39 39.070 3.309 -5.239 294 2HB SER 39 HB2 SER 39 38.675 3.905 -6.848 295 HG SER 39 HG SER 39 37.628 2.123 -7.304 296 H SER 40 HN SER 40 37.892 2.404 -3.726 297 HA SER 40 HA SER 40 35.259 2.037 -2.427 298 1HB SER 40 HB1 SER 40 36.707 -0.073 -4.058 299 2HB SER 40 HB2 SER 40 35.113 0.604 -4.381 300 HG SER 40 HG SER 40 34.253 -0.565 -2.847 301 H LEU 41 HN LEU 41 36.293 2.620 -0.461 302 HA LEU 41 HA LEU 41 37.962 0.496 0.751 303 1HB LEU 41 HB1 LEU 41 38.876 3.368 0.876 304 2HB LEU 41 HB2 LEU 41 39.297 2.376 -0.515 305 HG LEU 41 HG LEU 41 41.100 2.295 1.134 306 1HD1 LEU 41 HD11 LEU 41 39.491 0.846 3.154 307 2HD1 LEU 41 HD12 LEU 41 39.177 2.577 3.020 308 3HD1 LEU 41 HD13 LEU 41 40.805 2.001 3.372 309 1HD2 LEU 41 HD21 LEU 41 40.124 0.152 -0.126 310 2HD2 LEU 41 HD22 LEU 41 39.808 -0.373 1.527 311 3HD2 LEU 41 HD23 LEU 41 41.453 0.013 1.024 312 H THR 42 HN THR 42 37.592 0.362 2.958 313 HA THR 42 HA THR 42 35.304 1.483 4.168 314 HB THR 42 HB THR 42 36.641 0.837 6.308 315 HG1 THR 42 HG1 THR 42 38.685 1.076 5.308 316 1HG2 THR 42 HG21 THR 42 36.439 -1.582 5.734 317 2HG2 THR 42 HG22 THR 42 36.189 -1.131 4.047 318 3HG2 THR 42 HG23 THR 42 35.012 -0.655 5.272 319 H GLN 43 HN GLN 43 35.689 2.765 6.431 320 HA GLN 43 HA GLN 43 36.363 5.464 5.739 321 1HB GLN 43 HB1 GLN 43 36.258 5.650 8.338 322 2HB GLN 43 HB2 GLN 43 35.839 3.938 8.287 323 1HG GLN 43 HG1 GLN 43 33.758 5.108 8.256 324 2HG GLN 43 HG2 GLN 43 34.029 4.585 6.594 325 1HE2 GLN 43 HE21 GLN 43 33.688 7.369 8.673 326 2HE2 GLN 43 HE22 GLN 43 33.896 8.548 7.469 327 H HIS 44 HN HIS 44 38.563 5.232 4.858 328 HA HIS 44 HA HIS 44 40.622 5.368 7.008 329 1HB HIS 44 HB1 HIS 44 41.871 3.914 5.006 330 2HB HIS 44 HB2 HIS 44 40.225 3.271 4.977 331 HD1 HIS 44 HD1 HIS 44 43.210 3.667 7.234 332 HD2 HIS 44 HD2 HIS 44 39.479 1.808 7.285 333 HE1 HIS 44 HE1 HIS 44 43.180 2.190 9.280 334 H SER 45 HN SER 45 42.792 6.031 5.957 335 HA SER 45 HA SER 45 42.255 8.052 3.798 336 1HB SER 45 HB1 SER 45 42.878 9.402 5.550 337 2HB SER 45 HB2 SER 45 44.496 8.953 5.029 338 HG SER 45 HG SER 45 42.976 7.816 7.119 339 H TRP 46 HN TRP 46 43.838 8.234 2.149 340 HA TRP 46 HA TRP 46 45.141 5.862 1.293 341 1HB TRP 46 HB1 TRP 46 44.428 8.099 0.104 342 2HB TRP 46 HB2 TRP 46 45.818 7.216 -0.519 343 HD1 TRP 46 HD1 TRP 46 44.831 10.504 1.017 344 HE1 TRP 46 HE1 TRP 46 46.921 12.009 1.228 345 HE3 TRP 46 HE3 TRP 46 48.468 7.090 -0.033 346 HZ2 TRP 46 HZ2 TRP 46 49.772 11.779 0.989 347 HZ3 TRP 46 HZ3 TRP 46 50.861 7.750 -0.030 348 HH2 TRP 46 HH2 TRP 46 51.515 10.086 0.480 349 H GLN 47 HN GLN 47 46.331 8.560 3.258 350 HA GLN 47 HA GLN 47 49.119 8.074 3.265 351 1HB GLN 47 HB1 GLN 47 48.482 8.849 5.856 352 2HB GLN 47 HB2 GLN 47 47.078 9.381 4.934 353 1HG GLN 47 HG1 GLN 47 49.091 10.187 3.284 354 2HG GLN 47 HG2 GLN 47 49.878 10.348 4.853 355 1HE2 GLN 47 HE21 GLN 47 49.002 12.575 3.093 356 2HE2 GLN 47 HE22 GLN 47 47.863 13.464 3.984 357 H SER 48 HN SER 48 46.920 7.038 5.899 358 HA SER 48 HA SER 48 48.679 5.142 7.082 359 1HB SER 48 HB1 SER 48 45.704 4.720 6.999 360 2HB SER 48 HB2 SER 48 46.330 6.188 7.745 361 HG SER 48 HG SER 48 46.485 4.895 9.406 362 H LEU 49 HN LEU 49 46.654 4.938 4.239 363 HA LEU 49 HA LEU 49 46.509 2.070 3.970 364 1HB LEU 49 HB1 LEU 49 46.605 3.701 1.513 365 2HB LEU 49 HB2 LEU 49 45.505 4.340 2.729 366 HG LEU 49 HG LEU 49 44.356 2.791 1.213 367 1HD1 LEU 49 HD11 LEU 49 45.600 1.069 0.430 368 2HD1 LEU 49 HD12 LEU 49 45.186 0.254 1.936 369 3HD1 LEU 49 HD13 LEU 49 46.706 1.131 1.798 370 1HD2 LEU 49 HD21 LEU 49 43.087 1.895 2.898 371 2HD2 LEU 49 HD22 LEU 49 44.121 2.904 3.910 372 3HD2 LEU 49 HD23 LEU 49 44.483 1.190 3.712 373 H LYS 50 HN LYS 50 48.673 4.522 2.517 374 HA LYS 50 HA LYS 50 50.374 2.580 1.188 375 1HB LYS 50 HB1 LYS 50 51.123 5.401 1.965 376 2HB LYS 50 HB2 LYS 50 49.918 5.095 0.714 377 1HG LYS 50 HG1 LYS 50 51.798 5.115 -0.618 378 2HG LYS 50 HG2 LYS 50 51.833 3.417 -0.142 379 1HD LYS 50 HD1 LYS 50 53.967 3.929 0.504 380 2HD LYS 50 HD2 LYS 50 53.159 4.526 1.954 381 1HE LYS 50 HE1 LYS 50 53.620 6.708 1.434 382 2HE LYS 50 HE2 LYS 50 53.260 6.466 -0.286 383 1HZ LYS 50 HZ1 LYS 50 55.649 6.833 0.137 384 2HZ LYS 50 HZ2 LYS 50 55.350 5.301 -0.533 385 3HZ LYS 50 HZ3 LYS 50 55.679 5.456 1.127 386 H ASP 51 HN ASP 51 50.633 4.467 4.208 387 HA ASP 51 HA ASP 51 53.266 3.674 4.961 388 1HB ASP 51 HB1 ASP 51 51.013 4.094 6.918 389 2HB ASP 51 HB2 ASP 51 51.575 5.429 5.912 390 H ARG 52 HN ARG 52 50.107 2.150 5.611 391 HA ARG 52 HA ARG 52 51.063 0.038 7.303 392 1HB ARG 52 HB1 ARG 52 48.662 0.474 5.512 393 2HB ARG 52 HB2 ARG 52 48.737 0.552 7.269 394 1HG ARG 52 HG1 ARG 52 48.944 -1.947 5.563 395 2HG ARG 52 HG2 ARG 52 47.607 -1.505 6.617 396 1HD ARG 52 HD1 ARG 52 50.061 -1.463 8.148 397 2HD ARG 52 HD2 ARG 52 49.911 -3.022 7.313 398 HE ARG 52 HE ARG 52 47.480 -2.965 8.244 399 1HH1 ARG 52 HH11 ARG 52 48.642 -0.317 9.637 400 2HH1 ARG 52 HH12 ARG 52 48.672 -0.889 11.272 401 1HH2 ARG 52 HH21 ARG 52 48.187 -4.211 10.397 402 2HH2 ARG 52 HH22 ARG 52 48.414 -3.093 11.701 403 H TYR 53 HN TYR 53 50.780 0.345 3.774 404 HA TYR 53 HA TYR 53 51.319 -2.383 3.095 405 1HB TYR 53 HB1 TYR 53 52.111 0.100 1.546 406 2HB TYR 53 HB2 TYR 53 50.451 -0.493 1.637 407 HD1 TYR 53 HD1 TYR 53 53.638 -0.837 0.008 408 HD2 TYR 53 HD2 TYR 53 50.011 -2.928 0.962 409 HE1 TYR 53 HE1 TYR 53 54.134 -2.502 -1.760 410 HE2 TYR 53 HE2 TYR 53 50.503 -4.593 -0.806 411 HH TYR 53 HH TYR 53 53.127 -5.295 -1.988 412 H LEU 54 HN LEU 54 53.487 0.375 3.717 413 HA LEU 54 HA LEU 54 55.884 -1.274 3.188 414 1HB LEU 54 HB1 LEU 54 57.004 0.916 3.791 415 2HB LEU 54 HB2 LEU 54 55.397 1.590 4.060 416 HG LEU 54 HG LEU 54 54.789 1.015 1.720 417 1HD1 LEU 54 HD11 LEU 54 55.616 3.248 2.118 418 2HD1 LEU 54 HD12 LEU 54 56.353 2.669 0.624 419 3HD1 LEU 54 HD13 LEU 54 57.286 2.684 2.120 420 1HD2 LEU 54 HD21 LEU 54 57.447 -0.295 1.866 421 2HD2 LEU 54 HD22 LEU 54 57.135 0.596 0.377 422 3HD2 LEU 54 HD23 LEU 54 56.047 -0.700 0.873 423 H LYS 55 HN LYS 55 53.885 -0.368 5.883 424 HA LYS 55 HA LYS 55 55.756 -0.442 8.034 425 1HB LYS 55 HB1 LYS 55 53.437 -1.458 9.074 426 2HB LYS 55 HB2 LYS 55 52.845 -0.729 7.583 427 1HG LYS 55 HG1 LYS 55 53.763 1.423 8.192 428 2HG LYS 55 HG2 LYS 55 54.608 0.725 9.574 429 1HD LYS 55 HD1 LYS 55 51.596 0.623 9.272 430 2HD LYS 55 HD2 LYS 55 52.423 1.939 10.106 431 1HE LYS 55 HE1 LYS 55 53.348 -0.706 10.996 432 2HE LYS 55 HE2 LYS 55 51.618 -0.446 11.287 433 1HZ LYS 55 HZ1 LYS 55 53.870 1.347 12.053 434 2HZ LYS 55 HZ2 LYS 55 52.844 0.496 13.106 435 3HZ LYS 55 HZ3 LYS 55 52.235 1.781 12.176 436 H HIS 56 HN HIS 56 53.749 -3.075 6.630 437 HA HIS 56 HA HIS 56 55.824 -5.047 7.137 438 1HB HIS 56 HB1 HIS 56 55.139 -4.841 9.410 439 2HB HIS 56 HB2 HIS 56 54.398 -6.319 8.819 440 HD1 HIS 56 HD1 HIS 56 53.038 -5.228 11.180 441 HD2 HIS 56 HD2 HIS 56 52.084 -3.869 7.356 442 HE1 HIS 56 HE1 HIS 56 50.716 -4.232 11.332 443 H LEU 57 HN LEU 57 54.337 -4.399 4.803 444 HA LEU 57 HA LEU 57 52.787 -6.943 4.423 445 1HB LEU 57 HB1 LEU 57 51.455 -5.562 2.748 446 2HB LEU 57 HB2 LEU 57 52.273 -4.141 3.391 447 HG LEU 57 HG LEU 57 51.415 -4.669 5.639 448 1HD1 LEU 57 HD11 LEU 57 48.912 -4.390 5.004 449 2HD1 LEU 57 HD12 LEU 57 49.491 -4.383 3.337 450 3HD1 LEU 57 HD13 LEU 57 50.047 -3.152 4.469 451 1HD2 LEU 57 HD21 LEU 57 50.931 -6.883 5.945 452 2HD2 LEU 57 HD22 LEU 57 50.583 -7.140 4.235 453 3HD2 LEU 57 HD23 LEU 57 49.350 -6.451 5.291 454 H ARG 58 HN ARG 58 53.742 -4.434 2.075 455 HA ARG 58 HA ARG 58 54.962 -4.618 0.063 456 1HB ARG 58 HB1 ARG 58 57.083 -6.201 0.675 457 2HB ARG 58 HB2 ARG 58 56.475 -5.856 2.294 458 1HG ARG 58 HG1 ARG 58 56.456 -3.409 1.669 459 2HG ARG 58 HG2 ARG 58 57.273 -3.846 0.169 460 1HD ARG 58 HD1 ARG 58 58.389 -4.685 2.854 461 2HD ARG 58 HD2 ARG 58 58.778 -3.109 2.139 462 HE ARG 58 HE ARG 58 59.086 -5.250 0.204 463 1HH1 ARG 58 HH11 ARG 58 61.217 -4.397 -0.645 464 2HH1 ARG 58 HH12 ARG 58 62.529 -4.523 0.481 465 1HH2 ARG 58 HH21 ARG 58 60.482 -5.119 3.212 466 2HH2 ARG 58 HH22 ARG 58 62.113 -4.932 2.660 467 H GLY 59 HN GLY 59 56.315 -6.559 -1.213 468 1HA GLY 59 HA1 GLY 59 54.469 -8.197 -2.468 469 2HA GLY 59 HA2 GLY 59 55.020 -9.163 -1.099 Start of MODEL 7 1 1H GLY 1 HT1 GLY 1 42.302 11.366 14.654 2 2H GLY 1 HT2 GLY 1 42.374 12.662 13.557 3 3H GLY 1 HT3 GLY 1 43.522 12.535 14.805 4 1HA GLY 1 HA1 GLY 1 44.685 10.864 13.790 5 2HA GLY 1 HA2 GLY 1 44.140 11.808 12.404 6 H ARG 2 HN ARG 2 44.672 9.272 11.805 7 HA ARG 2 HA ARG 2 42.117 8.180 10.958 8 1HB ARG 2 HB1 ARG 2 44.210 8.076 9.646 9 2HB ARG 2 HB2 ARG 2 43.579 6.458 9.942 10 1HG ARG 2 HG1 ARG 2 45.346 5.877 11.265 11 2HG ARG 2 HG2 ARG 2 45.436 7.469 12.017 12 1HD ARG 2 HD1 ARG 2 46.255 8.140 9.535 13 2HD ARG 2 HD2 ARG 2 46.796 6.451 9.564 14 HE ARG 2 HE ARG 2 47.718 8.611 11.380 15 1HH1 ARG 2 HH11 ARG 2 48.339 7.333 13.427 16 2HH1 ARG 2 HH12 ARG 2 49.392 5.997 13.099 17 1HH2 ARG 2 HH21 ARG 2 48.774 6.005 9.687 18 2HH2 ARG 2 HH22 ARG 2 49.638 5.245 10.981 19 H ILE 3 HN ILE 3 42.532 5.405 11.257 20 HA ILE 3 HA ILE 3 42.635 4.927 14.200 21 HB ILE 3 HB ILE 3 40.474 3.700 14.003 22 1HG1 ILE 3 HG11 ILE 3 40.981 3.631 11.320 23 2HG1 ILE 3 HG12 ILE 3 39.849 4.982 11.397 24 1HG2 ILE 3 HG21 ILE 3 40.199 6.515 12.926 25 2HG2 ILE 3 HG22 ILE 3 40.662 6.172 14.594 26 3HG2 ILE 3 HG23 ILE 3 39.090 5.651 13.991 27 1HD1 ILE 3 HD11 ILE 3 38.490 3.332 12.959 28 2HD1 ILE 3 HD12 ILE 3 39.423 2.100 12.111 29 3HD1 ILE 3 HD13 ILE 3 38.376 3.193 11.205 30 H ALA 4 HN ALA 4 41.994 2.299 14.306 31 HA ALA 4 HA ALA 4 44.266 0.993 13.010 32 1HB ALA 4 HB1 ALA 4 43.183 -1.005 14.234 33 2HB ALA 4 HB2 ALA 4 42.012 0.165 14.846 34 3HB ALA 4 HB3 ALA 4 43.723 0.344 15.235 35 H PHE 5 HN PHE 5 43.860 -1.166 11.856 36 HA PHE 5 HA PHE 5 41.598 -0.845 9.918 37 1HB PHE 5 HB1 PHE 5 43.389 -2.626 8.825 38 2HB PHE 5 HB2 PHE 5 44.451 -1.611 9.801 39 HD1 PHE 5 HD1 PHE 5 41.360 -0.979 7.757 40 HD2 PHE 5 HD2 PHE 5 45.455 0.061 8.531 41 HE1 PHE 5 HE1 PHE 5 41.231 0.807 6.041 42 HE2 PHE 5 HE2 PHE 5 45.326 1.847 6.815 43 HZ PHE 5 HZ PHE 5 43.213 2.219 5.570 44 H THR 6 HN THR 6 40.808 -3.029 9.039 45 HA THR 6 HA THR 6 40.614 -5.013 11.282 46 HB THR 6 HB THR 6 38.405 -5.529 10.232 47 HG1 THR 6 HG1 THR 6 37.715 -4.059 8.599 48 1HG2 THR 6 HG21 THR 6 38.668 -3.775 12.012 49 2HG2 THR 6 HG22 THR 6 37.293 -3.500 10.943 50 3HG2 THR 6 HG23 THR 6 38.772 -2.564 10.734 51 H ASP 7 HN ASP 7 39.784 -7.237 10.117 52 HA ASP 7 HA ASP 7 42.055 -8.189 8.575 53 1HB ASP 7 HB1 ASP 7 40.140 -10.137 8.414 54 2HB ASP 7 HB2 ASP 7 39.557 -9.215 9.800 55 H ALA 8 HN ALA 8 38.739 -7.226 7.800 56 HA ALA 8 HA ALA 8 38.768 -8.185 5.058 57 1HB ALA 8 HB1 ALA 8 36.849 -6.242 5.179 58 2HB ALA 8 HB2 ALA 8 37.054 -6.613 6.890 59 3HB ALA 8 HB3 ALA 8 36.610 -7.892 5.759 60 H ASP 9 HN ASP 9 39.293 -4.996 6.581 61 HA ASP 9 HA ASP 9 39.651 -3.500 4.158 62 1HB ASP 9 HB1 ASP 9 40.798 -1.906 5.751 63 2HB ASP 9 HB2 ASP 9 40.682 -3.155 6.992 64 H ASP 10 HN ASP 10 41.912 -5.356 6.175 65 HA ASP 10 HA ASP 10 44.356 -4.511 4.937 66 1HB ASP 10 HB1 ASP 10 44.841 -7.064 5.757 67 2HB ASP 10 HB2 ASP 10 43.351 -6.725 6.641 68 H VAL 11 HN VAL 11 42.334 -7.408 4.303 69 HA VAL 11 HA VAL 11 43.872 -8.369 2.079 70 HB VAL 11 HB VAL 11 40.929 -8.671 2.778 71 1HG1 VAL 11 HG11 VAL 11 40.729 -10.216 1.117 72 2HG1 VAL 11 HG12 VAL 11 42.344 -10.867 1.398 73 3HG1 VAL 11 HG13 VAL 11 42.138 -9.417 0.418 74 1HG2 VAL 11 HG21 VAL 11 43.350 -10.372 3.459 75 2HG2 VAL 11 HG22 VAL 11 41.680 -10.762 3.870 76 3HG2 VAL 11 HG23 VAL 11 42.460 -9.356 4.591 77 H ALA 12 HN ALA 12 41.209 -6.042 2.320 78 HA ALA 12 HA ALA 12 40.639 -5.800 -0.485 79 1HB ALA 12 HB1 ALA 12 39.007 -4.720 0.679 80 2HB ALA 12 HB2 ALA 12 40.100 -3.336 0.662 81 3HB ALA 12 HB3 ALA 12 40.074 -4.422 2.052 82 H ILE 13 HN ILE 13 43.091 -4.354 1.599 83 HA ILE 13 HA ILE 13 43.968 -2.346 -0.322 84 HB ILE 13 HB ILE 13 45.189 -3.581 2.176 85 1HG1 ILE 13 HG11 ILE 13 42.999 -2.175 2.217 86 2HG1 ILE 13 HG12 ILE 13 44.048 -0.805 1.850 87 1HG2 ILE 13 HG21 ILE 13 46.138 -1.385 0.345 88 2HG2 ILE 13 HG22 ILE 13 47.072 -2.666 1.118 89 3HG2 ILE 13 HG23 ILE 13 46.494 -1.300 2.071 90 1HD1 ILE 13 HD11 ILE 13 45.325 -1.148 3.860 91 2HD1 ILE 13 HD12 ILE 13 44.543 -2.698 4.163 92 3HD1 ILE 13 HD13 ILE 13 43.625 -1.202 4.323 93 H LEU 14 HN LEU 14 45.056 -5.608 0.613 94 HA LEU 14 HA LEU 14 47.397 -5.699 -1.065 95 1HB LEU 14 HB1 LEU 14 45.540 -7.820 0.067 96 2HB LEU 14 HB2 LEU 14 47.024 -7.218 0.803 97 HG LEU 14 HG LEU 14 46.915 -8.640 -1.872 98 1HD1 LEU 14 HD11 LEU 14 49.417 -8.913 -1.226 99 2HD1 LEU 14 HD12 LEU 14 49.112 -7.606 -0.082 100 3HD1 LEU 14 HD13 LEU 14 48.882 -7.337 -1.811 101 1HD2 LEU 14 HD21 LEU 14 46.443 -10.415 -0.479 102 2HD2 LEU 14 HD22 LEU 14 47.145 -9.629 0.935 103 3HD2 LEU 14 HD23 LEU 14 48.193 -10.376 -0.269 104 H THR 15 HN THR 15 44.212 -7.279 -1.548 105 HA THR 15 HA THR 15 44.526 -8.163 -4.192 106 HB THR 15 HB THR 15 41.981 -6.940 -3.110 107 HG1 THR 15 HG1 THR 15 41.766 -8.661 -1.795 108 1HG2 THR 15 HG21 THR 15 41.765 -7.856 -5.324 109 2HG2 THR 15 HG22 THR 15 41.042 -9.017 -4.210 110 3HG2 THR 15 HG23 THR 15 42.652 -9.312 -4.868 111 H TYR 16 HN TYR 16 43.393 -4.948 -3.099 112 HA TYR 16 HA TYR 16 42.846 -3.851 -5.690 113 1HB TYR 16 HB1 TYR 16 43.809 -2.483 -3.153 114 2HB TYR 16 HB2 TYR 16 42.135 -2.938 -3.474 115 HD1 TYR 16 HD1 TYR 16 40.724 -1.546 -4.763 116 HD2 TYR 16 HD2 TYR 16 44.968 -0.885 -4.783 117 HE1 TYR 16 HE1 TYR 16 40.390 0.562 -6.022 118 HE2 TYR 16 HE2 TYR 16 44.633 1.225 -6.044 119 HH TYR 16 HH TYR 16 42.916 2.856 -6.468 120 H VAL 17 HN VAL 17 45.731 -3.469 -3.604 121 HA VAL 17 HA VAL 17 47.350 -2.012 -5.435 122 HB VAL 17 HB VAL 17 48.024 -4.012 -3.247 123 1HG1 VAL 17 HG11 VAL 17 49.998 -3.683 -4.620 124 2HG1 VAL 17 HG12 VAL 17 50.196 -2.753 -3.134 125 3HG1 VAL 17 HG13 VAL 17 49.749 -1.937 -4.632 126 1HG2 VAL 17 HG21 VAL 17 47.967 -2.199 -1.760 127 2HG2 VAL 17 HG22 VAL 17 46.613 -1.845 -2.834 128 3HG2 VAL 17 HG23 VAL 17 48.152 -1.012 -3.050 129 H LYS 18 HN LYS 18 47.432 -5.538 -4.760 130 HA LYS 18 HA LYS 18 49.254 -6.280 -6.809 131 1HB LYS 18 HB1 LYS 18 46.945 -8.041 -6.072 132 2HB LYS 18 HB2 LYS 18 48.043 -7.533 -4.790 133 1HG LYS 18 HG1 LYS 18 49.144 -8.638 -7.365 134 2HG LYS 18 HG2 LYS 18 48.557 -9.734 -6.113 135 1HD LYS 18 HD1 LYS 18 50.045 -8.208 -4.540 136 2HD LYS 18 HD2 LYS 18 50.885 -7.843 -6.048 137 1HE LYS 18 HE1 LYS 18 50.287 -10.714 -5.367 138 2HE LYS 18 HE2 LYS 18 51.669 -9.905 -4.602 139 1HZ LYS 18 HZ1 LYS 18 52.347 -9.167 -6.848 140 2HZ LYS 18 HZ2 LYS 18 51.087 -10.089 -7.518 141 3HZ LYS 18 HZ3 LYS 18 52.361 -10.855 -6.695 142 H GLU 19 HN GLU 19 45.897 -5.342 -7.030 143 HA GLU 19 HA GLU 19 45.440 -6.601 -9.643 144 1HB GLU 19 HB1 GLU 19 43.376 -4.912 -9.290 145 2HB GLU 19 HB2 GLU 19 43.967 -4.967 -7.630 146 1HG GLU 19 HG1 GLU 19 42.346 -6.734 -7.860 147 2HG GLU 19 HG2 GLU 19 43.934 -7.501 -7.825 148 H ASN 20 HN ASN 20 46.620 -3.521 -8.459 149 HA ASN 20 HA ASN 20 46.558 -2.471 -11.276 150 1HB ASN 20 HB1 ASN 20 46.054 -0.304 -10.415 151 2HB ASN 20 HB2 ASN 20 46.476 -0.772 -8.774 152 1HD2 ASN 20 HD21 ASN 20 44.634 -0.934 -7.515 153 2HD2 ASN 20 HD22 ASN 20 43.136 -1.534 -8.038 154 H ALA 21 HN ALA 21 48.179 -1.918 -8.121 155 HA ALA 21 HA ALA 21 50.484 -0.632 -9.140 156 1HB ALA 21 HB1 ALA 21 49.718 -2.128 -6.668 157 2HB ALA 21 HB2 ALA 21 50.238 -0.452 -6.849 158 3HB ALA 21 HB3 ALA 21 51.426 -1.752 -6.899 159 H ARG 22 HN ARG 22 51.367 -3.646 -7.552 160 HA ARG 22 HA ARG 22 52.813 -5.367 -8.266 161 1HB ARG 22 HB1 ARG 22 52.002 -5.853 -10.861 162 2HB ARG 22 HB2 ARG 22 50.614 -4.996 -10.189 163 1HG ARG 22 HG1 ARG 22 50.071 -7.129 -9.504 164 2HG ARG 22 HG2 ARG 22 51.095 -6.673 -8.143 165 1HD ARG 22 HD1 ARG 22 51.875 -8.833 -8.905 166 2HD ARG 22 HD2 ARG 22 53.058 -7.644 -9.488 167 HE ARG 22 HE ARG 22 52.266 -8.037 -11.697 168 1HH1 ARG 22 HH11 ARG 22 49.782 -7.730 -12.384 169 2HH1 ARG 22 HH12 ARG 22 48.907 -9.211 -12.176 170 1HH2 ARG 22 HH21 ARG 22 51.289 -10.631 -10.092 171 2HH2 ARG 22 HH22 ARG 22 49.762 -10.855 -10.876 172 H SER 23 HN SER 23 53.552 -2.460 -8.906 173 HA SER 23 HA SER 23 55.826 -3.105 -10.685 174 1HB SER 23 HB1 SER 23 53.717 -2.413 -12.012 175 2HB SER 23 HB2 SER 23 55.206 -1.548 -12.375 176 HG SER 23 HG SER 23 52.936 -0.687 -11.007 177 HA PRO 24 HA PRO 24 57.692 -0.054 -8.105 178 1HB PRO 24 HB1 PRO 24 59.733 -0.658 -9.007 179 2HB PRO 24 HB2 PRO 24 59.652 0.967 -9.711 180 1HG PRO 24 HG1 PRO 24 59.901 -1.270 -11.198 181 2HG PRO 24 HG2 PRO 24 59.052 0.173 -11.769 182 1HD PRO 24 HD1 PRO 24 57.974 -2.448 -10.960 183 2HD PRO 24 HD2 PRO 24 57.256 -1.197 -11.998 184 H SER 25 HN SER 25 55.392 1.072 -8.778 185 HA SER 25 HA SER 25 56.078 3.891 -9.346 186 1HB SER 25 HB1 SER 25 54.166 3.854 -11.103 187 2HB SER 25 HB2 SER 25 54.397 2.108 -11.110 188 HG SER 25 HG SER 25 56.098 4.128 -11.984 189 H SER 26 HN SER 26 53.134 1.828 -9.292 190 HA SER 26 HA SER 26 51.456 3.701 -7.951 191 1HB SER 26 HB1 SER 26 50.137 1.608 -7.422 192 2HB SER 26 HB2 SER 26 51.489 0.672 -8.051 193 HG SER 26 HG SER 26 51.224 1.631 -10.045 194 H VAL 27 HN VAL 27 53.158 0.873 -6.559 195 HA VAL 27 HA VAL 27 52.554 1.481 -3.820 196 HB VAL 27 HB VAL 27 54.374 -0.178 -3.402 197 1HG1 VAL 27 HG11 VAL 27 52.352 -1.254 -3.819 198 2HG1 VAL 27 HG12 VAL 27 53.369 -1.940 -5.086 199 3HG1 VAL 27 HG13 VAL 27 52.245 -0.634 -5.466 200 1HG2 VAL 27 HG21 VAL 27 55.907 -0.789 -4.999 201 2HG2 VAL 27 HG22 VAL 27 55.560 0.821 -5.623 202 3HG2 VAL 27 HG23 VAL 27 54.762 -0.584 -6.323 203 H THR 28 HN THR 28 54.915 2.816 -6.012 204 HA THR 28 HA THR 28 56.616 3.872 -3.829 205 HB THR 28 HB THR 28 56.720 4.244 -6.839 206 HG1 THR 28 HG1 THR 28 58.137 2.513 -6.791 207 1HG2 THR 28 HG21 THR 28 58.715 4.695 -4.608 208 2HG2 THR 28 HG22 THR 28 58.068 5.895 -5.728 209 3HG2 THR 28 HG23 THR 28 59.164 4.643 -6.313 210 H GLY 29 HN GLY 29 54.154 4.955 -6.108 211 1HA GLY 29 HA1 GLY 29 53.440 7.197 -6.579 212 2HA GLY 29 HA2 GLY 29 54.568 7.787 -5.359 213 H ASN 30 HN ASN 30 51.659 8.336 -5.685 214 HA ASN 30 HA ASN 30 50.510 7.070 -3.237 215 1HB ASN 30 HB1 ASN 30 49.975 9.332 -2.378 216 2HB ASN 30 HB2 ASN 30 50.784 10.048 -3.772 217 1HD2 ASN 30 HD21 ASN 30 51.664 7.404 -1.459 218 2HD2 ASN 30 HD22 ASN 30 53.197 8.037 -1.101 219 H ALA 31 HN ALA 31 49.981 7.169 -6.294 220 HA ALA 31 HA ALA 31 47.353 8.524 -6.423 221 1HB ALA 31 HB1 ALA 31 49.377 8.196 -8.182 222 2HB ALA 31 HB2 ALA 31 47.704 8.403 -8.701 223 3HB ALA 31 HB3 ALA 31 48.407 6.787 -8.609 224 H LEU 32 HN LEU 32 48.593 5.195 -7.005 225 HA LEU 32 HA LEU 32 46.096 3.895 -7.307 226 1HB LEU 32 HB1 LEU 32 48.253 2.473 -5.827 227 2HB LEU 32 HB2 LEU 32 48.720 3.195 -7.368 228 HG LEU 32 HG LEU 32 46.139 1.841 -7.579 229 1HD1 LEU 32 HD11 LEU 32 48.176 2.518 -9.244 230 2HD1 LEU 32 HD12 LEU 32 46.977 1.286 -9.631 231 3HD1 LEU 32 HD13 LEU 32 48.545 0.815 -8.978 232 1HD2 LEU 32 HD21 LEU 32 46.599 -0.284 -6.855 233 2HD2 LEU 32 HD22 LEU 32 47.669 0.565 -5.740 234 3HD2 LEU 32 HD23 LEU 32 48.318 -0.145 -7.215 235 H TRP 33 HN TRP 33 47.702 5.042 -4.411 236 HA TRP 33 HA TRP 33 45.977 3.538 -2.560 237 1HB TRP 33 HB1 TRP 33 47.264 4.761 -0.871 238 2HB TRP 33 HB2 TRP 33 47.861 5.883 -2.093 239 HD1 TRP 33 HD1 TRP 33 49.921 5.188 -3.474 240 HE1 TRP 33 HE1 TRP 33 51.436 3.107 -3.540 241 HE3 TRP 33 HE3 TRP 33 47.216 2.033 -0.505 242 HZ2 TRP 33 HZ2 TRP 33 51.489 0.456 -2.483 243 HZ3 TRP 33 HZ3 TRP 33 48.025 -0.264 -0.049 244 HH2 TRP 33 HH2 TRP 33 50.159 -1.056 -1.033 245 H LYS 34 HN LYS 34 46.361 6.910 -3.657 246 HA LYS 34 HA LYS 34 44.261 8.111 -2.151 247 1HB LYS 34 HB1 LYS 34 44.301 9.553 -4.439 248 2HB LYS 34 HB2 LYS 34 45.790 8.633 -4.659 249 1HG LYS 34 HG1 LYS 34 46.804 9.579 -2.786 250 2HG LYS 34 HG2 LYS 34 45.264 9.947 -2.018 251 1HD LYS 34 HD1 LYS 34 44.873 11.801 -3.463 252 2HD LYS 34 HD2 LYS 34 46.148 11.298 -4.572 253 1HE LYS 34 HE1 LYS 34 47.791 11.656 -2.644 254 2HE LYS 34 HE2 LYS 34 46.458 12.447 -1.780 255 1HZ LYS 34 HZ1 LYS 34 47.526 13.156 -4.469 256 2HZ LYS 34 HZ2 LYS 34 47.657 14.086 -3.054 257 3HZ LYS 34 HZ3 LYS 34 46.140 13.849 -3.779 258 H ALA 35 HN ALA 35 44.237 6.541 -5.353 259 HA ALA 35 HA ALA 35 41.472 7.006 -5.977 260 1HB ALA 35 HB1 ALA 35 42.903 6.351 -7.739 261 2HB ALA 35 HB2 ALA 35 41.964 4.889 -7.433 262 3HB ALA 35 HB3 ALA 35 43.604 5.034 -6.798 263 H MET 36 HN MET 36 43.153 4.372 -4.271 264 HA MET 36 HA MET 36 40.997 2.545 -3.963 265 1HB MET 36 HB1 MET 36 43.037 3.118 -1.813 266 2HB MET 36 HB2 MET 36 43.541 2.441 -3.363 267 1HG MET 36 HG1 MET 36 42.335 0.458 -3.030 268 2HG MET 36 HG2 MET 36 41.257 1.200 -1.848 269 1HE MET 36 HE1 MET 36 44.687 0.674 -2.853 270 2HE MET 36 HE2 MET 36 45.440 -0.325 -1.613 271 3HE MET 36 HE3 MET 36 45.510 1.430 -1.482 272 H GLU 37 HN GLU 37 41.897 5.408 -2.074 273 HA GLU 37 HA GLU 37 39.846 5.048 -0.031 274 1HB GLU 37 HB1 GLU 37 41.544 7.407 -0.922 275 2HB GLU 37 HB2 GLU 37 41.955 6.254 0.345 276 1HG GLU 37 HG1 GLU 37 41.045 7.880 1.686 277 2HG GLU 37 HG2 GLU 37 39.542 7.063 1.253 278 H LYS 38 HN LYS 38 40.070 6.676 -3.151 279 HA LYS 38 HA LYS 38 37.361 7.877 -2.761 280 1HB LYS 38 HB1 LYS 38 39.235 8.363 -5.070 281 2HB LYS 38 HB2 LYS 38 39.547 9.105 -3.501 282 1HG LYS 38 HG1 LYS 38 36.905 9.675 -3.782 283 2HG LYS 38 HG2 LYS 38 37.402 9.669 -5.476 284 1HD LYS 38 HD1 LYS 38 39.426 11.112 -4.509 285 2HD LYS 38 HD2 LYS 38 38.247 11.482 -3.250 286 1HE LYS 38 HE1 LYS 38 36.726 11.796 -5.520 287 2HE LYS 38 HE2 LYS 38 38.318 12.359 -6.069 288 1HZ LYS 38 HZ1 LYS 38 36.955 13.191 -3.555 289 2HZ LYS 38 HZ2 LYS 38 37.052 14.131 -4.966 290 3HZ LYS 38 HZ3 LYS 38 38.462 13.749 -4.098 291 H SER 39 HN SER 39 38.062 4.951 -3.490 292 HA SER 39 HA SER 39 36.375 4.835 -5.968 293 1HB SER 39 HB1 SER 39 38.773 4.392 -6.408 294 2HB SER 39 HB2 SER 39 37.799 2.950 -6.677 295 HG SER 39 HG SER 39 39.623 2.458 -5.431 296 H SER 40 HN SER 40 37.631 2.815 -3.275 297 HA SER 40 HA SER 40 34.944 1.979 -2.494 298 1HB SER 40 HB1 SER 40 36.766 -0.109 -3.713 299 2HB SER 40 HB2 SER 40 35.543 0.737 -4.658 300 HG SER 40 HG SER 40 33.999 -0.298 -3.663 301 H LEU 41 HN LEU 41 35.848 2.703 -0.429 302 HA LEU 41 HA LEU 41 37.289 0.567 1.003 303 1HB LEU 41 HB1 LEU 41 38.435 3.346 1.030 304 2HB LEU 41 HB2 LEU 41 38.859 2.226 -0.261 305 HG LEU 41 HG LEU 41 39.214 0.603 1.869 306 1HD1 LEU 41 HD11 LEU 41 41.667 1.512 1.795 307 2HD1 LEU 41 HD12 LEU 41 41.058 2.549 0.505 308 3HD1 LEU 41 HD13 LEU 41 40.975 0.795 0.340 309 1HD2 LEU 41 HD21 LEU 41 40.600 2.340 3.402 310 2HD2 LEU 41 HD22 LEU 41 38.917 1.924 3.724 311 3HD2 LEU 41 HD23 LEU 41 39.309 3.409 2.856 312 H THR 42 HN THR 42 37.216 0.912 3.339 313 HA THR 42 HA THR 42 34.803 2.127 4.302 314 HB THR 42 HB THR 42 35.801 1.583 6.522 315 HG1 THR 42 HG1 THR 42 38.072 0.699 5.095 316 1HG2 THR 42 HG21 THR 42 36.642 -0.837 5.198 317 2HG2 THR 42 HG22 THR 42 35.205 -0.197 4.402 318 3HG2 THR 42 HG23 THR 42 35.176 -0.539 6.131 319 H GLN 43 HN GLN 43 35.501 3.546 6.586 320 HA GLN 43 HA GLN 43 36.150 6.160 5.478 321 1HB GLN 43 HB1 GLN 43 34.454 5.808 7.220 322 2HB GLN 43 HB2 GLN 43 35.723 6.873 7.818 323 1HG GLN 43 HG1 GLN 43 36.609 4.271 8.438 324 2HG GLN 43 HG2 GLN 43 34.885 4.265 8.809 325 1HE2 GLN 43 HE21 GLN 43 37.983 5.804 9.621 326 2HE2 GLN 43 HE22 GLN 43 37.439 6.549 11.046 327 H HIS 44 HN HIS 44 38.382 5.489 4.732 328 HA HIS 44 HA HIS 44 40.359 5.927 6.940 329 1HB HIS 44 HB1 HIS 44 41.631 4.229 5.176 330 2HB HIS 44 HB2 HIS 44 39.964 3.655 5.104 331 HD1 HIS 44 HD1 HIS 44 42.823 4.148 7.488 332 HD2 HIS 44 HD2 HIS 44 39.012 2.462 7.482 333 HE1 HIS 44 HE1 HIS 44 42.606 2.887 9.659 334 H SER 45 HN SER 45 42.616 6.307 5.845 335 HA SER 45 HA SER 45 42.219 8.187 3.531 336 1HB SER 45 HB1 SER 45 42.943 9.647 5.136 337 2HB SER 45 HB2 SER 45 44.527 8.999 4.737 338 HG SER 45 HG SER 45 42.831 8.230 6.858 339 H TRP 46 HN TRP 46 43.817 8.154 1.892 340 HA TRP 46 HA TRP 46 44.980 5.666 1.198 341 1HB TRP 46 HB1 TRP 46 44.445 7.835 -0.155 342 2HB TRP 46 HB2 TRP 46 45.843 6.885 -0.648 343 HD1 TRP 46 HD1 TRP 46 44.869 10.298 0.520 344 HE1 TRP 46 HE1 TRP 46 46.983 11.751 0.820 345 HE3 TRP 46 HE3 TRP 46 48.458 6.698 0.159 346 HZ2 TRP 46 HZ2 TRP 46 49.834 11.413 0.902 347 HZ3 TRP 46 HZ3 TRP 46 50.856 7.275 0.356 348 HH2 TRP 46 HH2 TRP 46 51.550 9.623 0.728 349 H GLN 47 HN GLN 47 46.375 8.429 2.935 350 HA GLN 47 HA GLN 47 49.094 7.654 3.036 351 1HB GLN 47 HB1 GLN 47 47.980 8.825 5.505 352 2HB GLN 47 HB2 GLN 47 47.480 9.660 4.035 353 1HG GLN 47 HG1 GLN 47 50.118 9.327 3.504 354 2HG GLN 47 HG2 GLN 47 50.175 9.429 5.264 355 1HE2 GLN 47 HE21 GLN 47 51.357 11.528 3.920 356 2HE2 GLN 47 HE22 GLN 47 50.389 12.919 3.997 357 H SER 48 HN SER 48 46.361 6.623 5.066 358 HA SER 48 HA SER 48 47.940 5.131 6.976 359 1HB SER 48 HB1 SER 48 45.156 4.300 6.373 360 2HB SER 48 HB2 SER 48 45.367 6.002 6.775 361 HG SER 48 HG SER 48 45.772 3.747 8.342 362 H LEU 49 HN LEU 49 45.687 3.868 4.495 363 HA LEU 49 HA LEU 49 46.613 1.194 4.536 364 1HB LEU 49 HB1 LEU 49 44.545 1.641 3.480 365 2HB LEU 49 HB2 LEU 49 45.610 1.159 2.167 366 HG LEU 49 HG LEU 49 45.846 4.003 2.510 367 1HD1 LEU 49 HD11 LEU 49 46.199 3.504 0.331 368 2HD1 LEU 49 HD12 LEU 49 44.447 3.592 0.168 369 3HD1 LEU 49 HD13 LEU 49 45.232 2.032 0.418 370 1HD2 LEU 49 HD21 LEU 49 43.482 4.625 1.966 371 2HD2 LEU 49 HD22 LEU 49 43.648 3.937 3.580 372 3HD2 LEU 49 HD23 LEU 49 43.009 2.953 2.265 373 H LYS 50 HN LYS 50 48.008 3.991 2.898 374 HA LYS 50 HA LYS 50 49.755 2.425 1.153 375 1HB LYS 50 HB1 LYS 50 50.095 5.291 2.096 376 2HB LYS 50 HB2 LYS 50 48.934 4.834 0.847 377 1HG LYS 50 HG1 LYS 50 50.757 5.316 -0.486 378 2HG LYS 50 HG2 LYS 50 51.067 3.607 -0.174 379 1HD LYS 50 HD1 LYS 50 52.646 4.126 1.558 380 2HD LYS 50 HD2 LYS 50 52.173 5.826 1.563 381 1HE LYS 50 HE1 LYS 50 52.960 5.900 -0.881 382 2HE LYS 50 HE2 LYS 50 53.708 4.320 -0.574 383 1HZ LYS 50 HZ1 LYS 50 54.151 6.845 0.943 384 2HZ LYS 50 HZ2 LYS 50 55.280 6.050 -0.047 385 3HZ LYS 50 HZ3 LYS 50 54.769 5.334 1.406 386 H ASP 51 HN ASP 51 50.266 4.349 4.129 387 HA ASP 51 HA ASP 51 53.008 3.634 4.538 388 1HB ASP 51 HB1 ASP 51 51.004 4.189 6.731 389 2HB ASP 51 HB2 ASP 51 51.493 5.458 5.606 390 H ARG 52 HN ARG 52 49.971 2.062 5.462 391 HA ARG 52 HA ARG 52 51.061 0.118 7.275 392 1HB ARG 52 HB1 ARG 52 48.784 -0.809 5.702 393 2HB ARG 52 HB2 ARG 52 48.568 0.864 6.209 394 1HG ARG 52 HG1 ARG 52 47.673 -0.597 7.935 395 2HG ARG 52 HG2 ARG 52 49.136 0.173 8.548 396 1HD ARG 52 HD1 ARG 52 49.607 -2.030 9.122 397 2HD ARG 52 HD2 ARG 52 50.251 -2.048 7.467 398 HE ARG 52 HE ARG 52 47.945 -2.872 6.775 399 1HH1 ARG 52 HH11 ARG 52 48.926 -5.268 7.833 400 2HH1 ARG 52 HH12 ARG 52 47.919 -5.639 9.193 401 1HH2 ARG 52 HH21 ARG 52 46.673 -2.413 9.484 402 2HH2 ARG 52 HH22 ARG 52 46.643 -4.020 10.129 403 H TYR 53 HN TYR 53 50.719 0.210 3.747 404 HA TYR 53 HA TYR 53 51.297 -2.528 3.177 405 1HB TYR 53 HB1 TYR 53 52.130 -0.109 1.555 406 2HB TYR 53 HB2 TYR 53 50.463 -0.686 1.625 407 HD1 TYR 53 HD1 TYR 53 50.108 -3.236 1.116 408 HD2 TYR 53 HD2 TYR 53 53.608 -1.015 -0.015 409 HE1 TYR 53 HE1 TYR 53 50.654 -4.958 -0.582 410 HE2 TYR 53 HE2 TYR 53 54.152 -2.737 -1.714 411 HH TYR 53 HH TYR 53 53.070 -5.696 -1.732 412 H LEU 54 HN LEU 54 53.410 0.292 3.636 413 HA LEU 54 HA LEU 54 55.871 -1.280 3.237 414 1HB LEU 54 HB1 LEU 54 56.780 1.022 4.084 415 2HB LEU 54 HB2 LEU 54 55.103 1.544 3.930 416 HG LEU 54 HG LEU 54 55.363 0.336 1.552 417 1HD1 LEU 54 HD11 LEU 54 56.235 2.680 0.751 418 2HD1 LEU 54 HD12 LEU 54 56.076 3.114 2.453 419 3HD1 LEU 54 HD13 LEU 54 54.665 2.567 1.546 420 1HD2 LEU 54 HD21 LEU 54 58.137 1.440 2.075 421 2HD2 LEU 54 HD22 LEU 54 57.574 0.598 0.631 422 3HD2 LEU 54 HD23 LEU 54 57.755 -0.280 2.150 423 H LYS 55 HN LYS 55 53.810 -0.337 5.903 424 HA LYS 55 HA LYS 55 55.625 -0.396 8.089 425 1HB LYS 55 HB1 LYS 55 53.376 -1.350 9.185 426 2HB LYS 55 HB2 LYS 55 52.713 -0.894 7.618 427 1HG LYS 55 HG1 LYS 55 52.606 1.243 8.317 428 2HG LYS 55 HG2 LYS 55 54.362 1.267 8.461 429 1HD LYS 55 HD1 LYS 55 53.985 0.112 10.750 430 2HD LYS 55 HD2 LYS 55 52.308 0.628 10.579 431 1HE LYS 55 HE1 LYS 55 52.844 2.754 11.172 432 2HE LYS 55 HE2 LYS 55 54.152 2.815 9.974 433 1HZ LYS 55 HZ1 LYS 55 54.238 1.571 12.678 434 2HZ LYS 55 HZ2 LYS 55 55.106 2.937 12.161 435 3HZ LYS 55 HZ3 LYS 55 55.467 1.405 11.520 436 H HIS 56 HN HIS 56 53.650 -3.056 6.726 437 HA HIS 56 HA HIS 56 55.726 -5.022 7.205 438 1HB HIS 56 HB1 HIS 56 55.087 -4.734 9.505 439 2HB HIS 56 HB2 HIS 56 54.400 -6.257 8.965 440 HD1 HIS 56 HD1 HIS 56 52.967 -5.351 11.275 441 HD2 HIS 56 HD2 HIS 56 52.022 -3.785 7.530 442 HE1 HIS 56 HE1 HIS 56 50.610 -4.450 11.449 443 H LEU 57 HN LEU 57 54.327 -4.512 4.867 444 HA LEU 57 HA LEU 57 52.631 -6.981 4.625 445 1HB LEU 57 HB1 LEU 57 51.276 -5.644 2.973 446 2HB LEU 57 HB2 LEU 57 52.207 -4.226 3.442 447 HG LEU 57 HG LEU 57 51.473 -4.563 5.794 448 1HD1 LEU 57 HD11 LEU 57 50.037 -3.007 4.950 449 2HD1 LEU 57 HD12 LEU 57 48.858 -4.316 5.053 450 3HD1 LEU 57 HD13 LEU 57 49.669 -3.977 3.524 451 1HD2 LEU 57 HD21 LEU 57 49.312 -6.154 5.806 452 2HD2 LEU 57 HD22 LEU 57 50.928 -6.782 6.132 453 3HD2 LEU 57 HD23 LEU 57 50.221 -6.959 4.527 454 H ARG 58 HN ARG 58 54.337 -4.493 2.675 455 HA ARG 58 HA ARG 58 54.706 -6.021 0.318 456 1HB ARG 58 HB1 ARG 58 55.123 -3.604 0.543 457 2HB ARG 58 HB2 ARG 58 56.556 -4.411 -0.089 458 1HG ARG 58 HG1 ARG 58 56.400 -4.222 2.868 459 2HG ARG 58 HG2 ARG 58 56.606 -2.689 2.020 460 1HD ARG 58 HD1 ARG 58 58.556 -3.682 0.793 461 2HD ARG 58 HD2 ARG 58 58.378 -5.151 1.772 462 HE ARG 58 HE ARG 58 58.432 -3.120 3.654 463 1HH1 ARG 58 HH11 ARG 58 60.035 -1.391 1.961 464 2HH1 ARG 58 HH12 ARG 58 61.656 -1.932 2.234 465 1HH2 ARG 58 HH21 ARG 58 60.696 -4.971 3.599 466 2HH2 ARG 58 HH22 ARG 58 62.032 -3.959 3.161 467 H GLY 59 HN GLY 59 57.010 -6.764 -0.426 468 1HA GLY 59 HA1 GLY 59 57.821 -9.047 0.970 469 2HA GLY 59 HA2 GLY 59 58.855 -7.750 1.571 Start of MODEL 8 1 1H GLY 1 HT1 GLY 1 45.255 8.268 15.205 2 2H GLY 1 HT2 GLY 1 45.433 9.942 14.971 3 3H GLY 1 HT3 GLY 1 46.429 8.852 14.130 4 1HA GLY 1 HA1 GLY 1 44.791 9.630 12.612 5 2HA GLY 1 HA2 GLY 1 43.514 9.265 13.771 6 H ARG 2 HN ARG 2 46.375 7.387 12.727 7 HA ARG 2 HA ARG 2 44.945 5.489 11.117 8 1HB ARG 2 HB1 ARG 2 47.050 4.182 11.378 9 2HB ARG 2 HB2 ARG 2 47.549 5.277 12.668 10 1HG ARG 2 HG1 ARG 2 46.975 7.079 10.727 11 2HG ARG 2 HG2 ARG 2 47.473 5.713 9.729 12 1HD ARG 2 HD1 ARG 2 49.661 5.911 10.370 13 2HD ARG 2 HD2 ARG 2 49.227 6.229 12.061 14 HE ARG 2 HE ARG 2 48.568 8.380 10.148 15 1HH1 ARG 2 HH11 ARG 2 51.496 7.209 11.163 16 2HH1 ARG 2 HH12 ARG 2 51.984 8.625 12.033 17 1HH2 ARG 2 HH21 ARG 2 48.880 10.155 11.811 18 2HH2 ARG 2 HH22 ARG 2 50.503 10.294 12.400 19 H ILE 3 HN ILE 3 44.022 3.496 11.664 20 HA ILE 3 HA ILE 3 43.993 2.748 14.568 21 HB ILE 3 HB ILE 3 41.585 2.235 14.262 22 1HG1 ILE 3 HG11 ILE 3 42.292 2.549 11.472 23 2HG1 ILE 3 HG12 ILE 3 41.008 3.685 11.878 24 1HG2 ILE 3 HG21 ILE 3 40.840 4.642 13.914 25 2HG2 ILE 3 HG22 ILE 3 42.523 5.022 13.550 26 3HG2 ILE 3 HG23 ILE 3 42.084 4.405 15.142 27 1HD1 ILE 3 HD11 ILE 3 40.983 0.702 11.882 28 2HD1 ILE 3 HD12 ILE 3 39.711 1.836 11.427 29 3HD1 ILE 3 HD13 ILE 3 40.040 1.516 13.130 30 H ALA 4 HN ALA 4 45.722 1.597 12.618 31 HA ALA 4 HA ALA 4 46.367 -0.497 11.738 32 1HB ALA 4 HB1 ALA 4 45.934 -2.247 13.237 33 2HB ALA 4 HB2 ALA 4 44.289 -1.696 13.552 34 3HB ALA 4 HB3 ALA 4 45.656 -0.830 14.250 35 H PHE 5 HN PHE 5 45.058 -2.802 11.129 36 HA PHE 5 HA PHE 5 42.615 -2.032 9.580 37 1HB PHE 5 HB1 PHE 5 43.729 -3.444 7.713 38 2HB PHE 5 HB2 PHE 5 45.218 -3.241 8.636 39 HD1 PHE 5 HD1 PHE 5 42.566 -1.491 6.743 40 HD2 PHE 5 HD2 PHE 5 46.320 -1.087 8.794 41 HE1 PHE 5 HE1 PHE 5 42.853 0.772 5.773 42 HE2 PHE 5 HE2 PHE 5 46.606 1.178 7.824 43 HZ PHE 5 HZ PHE 5 44.873 2.108 6.313 44 H THR 6 HN THR 6 41.027 -3.512 9.973 45 HA THR 6 HA THR 6 41.400 -5.877 11.552 46 HB THR 6 HB THR 6 39.289 -4.621 11.356 47 HG1 THR 6 HG1 THR 6 38.351 -6.436 11.745 48 1HG2 THR 6 HG21 THR 6 38.757 -3.850 9.303 49 2HG2 THR 6 HG22 THR 6 38.154 -5.472 8.961 50 3HG2 THR 6 HG23 THR 6 39.800 -5.029 8.508 51 H ASP 7 HN ASP 7 39.831 -7.760 9.968 52 HA ASP 7 HA ASP 7 42.009 -8.879 8.311 53 1HB ASP 7 HB1 ASP 7 40.073 -10.708 8.197 54 2HB ASP 7 HB2 ASP 7 39.433 -9.775 9.550 55 H ALA 8 HN ALA 8 38.554 -8.030 7.896 56 HA ALA 8 HA ALA 8 38.284 -8.638 5.144 57 1HB ALA 8 HB1 ALA 8 36.979 -6.938 7.183 58 2HB ALA 8 HB2 ALA 8 36.263 -8.095 6.062 59 3HB ALA 8 HB3 ALA 8 36.661 -6.468 5.514 60 H ASP 9 HN ASP 9 39.255 -5.539 6.654 61 HA ASP 9 HA ASP 9 39.576 -4.018 4.273 62 1HB ASP 9 HB1 ASP 9 41.339 -2.855 5.874 63 2HB ASP 9 HB2 ASP 9 40.676 -3.974 7.065 64 H ASP 10 HN ASP 10 41.905 -6.110 5.996 65 HA ASP 10 HA ASP 10 44.221 -5.550 4.443 66 1HB ASP 10 HB1 ASP 10 44.798 -7.954 5.193 67 2HB ASP 10 HB2 ASP 10 43.208 -7.965 5.953 68 H VAL 11 HN VAL 11 41.429 -7.589 3.745 69 HA VAL 11 HA VAL 11 42.663 -8.968 1.478 70 HB VAL 11 HB VAL 11 39.781 -8.621 2.379 71 1HG1 VAL 11 HG11 VAL 11 40.842 -9.752 -0.021 72 2HG1 VAL 11 HG12 VAL 11 39.176 -9.791 0.551 73 3HG1 VAL 11 HG13 VAL 11 40.285 -11.088 0.987 74 1HG2 VAL 11 HG21 VAL 11 41.401 -9.681 4.010 75 2HG2 VAL 11 HG22 VAL 11 41.675 -10.949 2.814 76 3HG2 VAL 11 HG23 VAL 11 40.072 -10.730 3.518 77 H ALA 12 HN ALA 12 40.086 -6.482 1.753 78 HA ALA 12 HA ALA 12 39.815 -5.956 -1.038 79 1HB ALA 12 HB1 ALA 12 38.206 -5.247 0.659 80 2HB ALA 12 HB2 ALA 12 38.796 -3.824 -0.198 81 3HB ALA 12 HB3 ALA 12 39.415 -4.204 1.409 82 H ILE 13 HN ILE 13 42.017 -4.587 1.395 83 HA ILE 13 HA ILE 13 43.120 -2.524 -0.315 84 HB ILE 13 HB ILE 13 44.173 -3.946 2.156 85 1HG1 ILE 13 HG11 ILE 13 41.917 -2.668 2.205 86 2HG1 ILE 13 HG12 ILE 13 42.896 -1.214 2.006 87 1HG2 ILE 13 HG21 ILE 13 45.217 -1.712 0.498 88 2HG2 ILE 13 HG22 ILE 13 46.084 -2.845 1.535 89 3HG2 ILE 13 HG23 ILE 13 45.253 -1.460 2.244 90 1HD1 ILE 13 HD11 ILE 13 44.043 -1.583 4.056 91 2HD1 ILE 13 HD12 ILE 13 43.489 -3.254 4.157 92 3HD1 ILE 13 HD13 ILE 13 42.353 -1.931 4.422 93 H LEU 14 HN LEU 14 43.940 -5.904 0.345 94 HA LEU 14 HA LEU 14 46.479 -5.876 -1.081 95 1HB LEU 14 HB1 LEU 14 44.565 -8.073 -0.208 96 2HB LEU 14 HB2 LEU 14 45.965 -7.485 0.688 97 HG LEU 14 HG LEU 14 46.080 -8.814 -2.037 98 1HD1 LEU 14 HD11 LEU 14 48.180 -7.783 -0.114 99 2HD1 LEU 14 HD12 LEU 14 47.948 -7.340 -1.805 100 3HD1 LEU 14 HD13 LEU 14 48.554 -8.942 -1.390 101 1HD2 LEU 14 HD21 LEU 14 47.173 -9.991 0.504 102 2HD2 LEU 14 HD22 LEU 14 46.666 -10.810 -0.974 103 3HD2 LEU 14 HD23 LEU 14 45.457 -10.171 0.140 104 H THR 15 HN THR 15 43.357 -7.452 -1.864 105 HA THR 15 HA THR 15 43.848 -8.226 -4.509 106 HB THR 15 HB THR 15 41.244 -7.016 -3.560 107 HG1 THR 15 HG1 THR 15 40.902 -9.048 -2.556 108 1HG2 THR 15 HG21 THR 15 40.285 -8.253 -5.204 109 2HG2 THR 15 HG22 THR 15 41.334 -9.637 -4.903 110 3HG2 THR 15 HG23 THR 15 41.907 -8.296 -5.894 111 H TYR 16 HN TYR 16 42.986 -4.996 -3.321 112 HA TYR 16 HA TYR 16 42.561 -3.841 -5.963 113 1HB TYR 16 HB1 TYR 16 43.177 -2.588 -3.263 114 2HB TYR 16 HB2 TYR 16 41.564 -2.992 -3.852 115 HD1 TYR 16 HD1 TYR 16 40.391 -1.535 -5.317 116 HD2 TYR 16 HD2 TYR 16 44.572 -0.906 -4.561 117 HE1 TYR 16 HE1 TYR 16 40.278 0.640 -6.504 118 HE2 TYR 16 HE2 TYR 16 44.459 1.269 -5.747 119 HH TYR 16 HH TYR 16 42.307 3.004 -6.207 120 H VAL 17 HN VAL 17 45.291 -4.151 -3.730 121 HA VAL 17 HA VAL 17 47.057 -2.446 -5.348 122 HB VAL 17 HB VAL 17 47.474 -4.277 -2.956 123 1HG1 VAL 17 HG11 VAL 17 49.591 -2.906 -2.681 124 2HG1 VAL 17 HG12 VAL 17 49.326 -2.301 -4.315 125 3HG1 VAL 17 HG13 VAL 17 49.607 -4.021 -4.047 126 1HG2 VAL 17 HG21 VAL 17 47.261 -2.345 -1.625 127 2HG2 VAL 17 HG22 VAL 17 45.991 -2.148 -2.832 128 3HG2 VAL 17 HG23 VAL 17 47.509 -1.264 -2.995 129 H LYS 18 HN LYS 18 46.339 -5.878 -4.985 130 HA LYS 18 HA LYS 18 48.697 -6.819 -6.412 131 1HB LYS 18 HB1 LYS 18 46.098 -8.314 -6.122 132 2HB LYS 18 HB2 LYS 18 47.093 -7.983 -4.704 133 1HG LYS 18 HG1 LYS 18 48.240 -9.244 -7.198 134 2HG LYS 18 HG2 LYS 18 47.507 -10.213 -5.919 135 1HD LYS 18 HD1 LYS 18 49.129 -9.531 -4.328 136 2HD LYS 18 HD2 LYS 18 49.659 -8.176 -5.325 137 1HE LYS 18 HE1 LYS 18 50.722 -9.654 -6.908 138 2HE LYS 18 HE2 LYS 18 49.970 -11.080 -6.162 139 1HZ LYS 18 HZ1 LYS 18 51.757 -9.181 -4.728 140 2HZ LYS 18 HZ2 LYS 18 52.293 -10.642 -5.410 141 3HZ LYS 18 HZ3 LYS 18 51.160 -10.658 -4.145 142 H GLU 19 HN GLU 19 45.544 -5.637 -7.351 143 HA GLU 19 HA GLU 19 45.673 -6.816 -10.054 144 1HB GLU 19 HB1 GLU 19 43.535 -5.354 -10.208 145 2HB GLU 19 HB2 GLU 19 43.783 -5.059 -8.485 146 1HG GLU 19 HG1 GLU 19 42.351 -6.945 -8.550 147 2HG GLU 19 HG2 GLU 19 43.951 -7.631 -8.271 148 H ASN 20 HN ASN 20 46.077 -3.641 -8.498 149 HA ASN 20 HA ASN 20 46.671 -2.378 -11.131 150 1HB ASN 20 HB1 ASN 20 46.535 -0.304 -9.783 151 2HB ASN 20 HB2 ASN 20 46.373 -1.276 -8.323 152 1HD2 ASN 20 HD21 ASN 20 44.232 -0.233 -8.002 153 2HD2 ASN 20 HD22 ASN 20 42.892 -0.774 -8.890 154 H ALA 21 HN ALA 21 48.116 -2.210 -7.852 155 HA ALA 21 HA ALA 21 50.596 -1.117 -8.496 156 1HB ALA 21 HB1 ALA 21 49.336 -2.209 -6.292 157 2HB ALA 21 HB2 ALA 21 50.956 -1.520 -6.297 158 3HB ALA 21 HB3 ALA 21 50.739 -3.258 -6.494 159 H ARG 22 HN ARG 22 51.962 -1.778 -10.064 160 HA ARG 22 HA ARG 22 53.238 -4.391 -9.956 161 1HB ARG 22 HB1 ARG 22 51.625 -3.814 -12.443 162 2HB ARG 22 HB2 ARG 22 50.888 -4.631 -11.065 163 1HG ARG 22 HG1 ARG 22 53.499 -5.579 -12.252 164 2HG ARG 22 HG2 ARG 22 51.948 -6.115 -12.897 165 1HD ARG 22 HD1 ARG 22 51.354 -7.196 -10.862 166 2HD ARG 22 HD2 ARG 22 52.592 -6.317 -9.943 167 HE ARG 22 HE ARG 22 53.233 -8.355 -12.056 168 1HH1 ARG 22 HH11 ARG 22 55.708 -8.042 -11.915 169 2HH1 ARG 22 HH12 ARG 22 56.334 -8.317 -10.324 170 1HH2 ARG 22 HH21 ARG 22 53.230 -8.131 -8.784 171 2HH2 ARG 22 HH22 ARG 22 54.930 -8.367 -8.550 172 H SER 23 HN SER 23 53.925 -1.506 -10.022 173 HA SER 23 HA SER 23 56.054 -1.616 -12.030 174 1HB SER 23 HB1 SER 23 53.795 -0.930 -13.129 175 2HB SER 23 HB2 SER 23 55.206 0.065 -13.471 176 HG SER 23 HG SER 23 53.145 0.576 -11.606 177 HA PRO 24 HA PRO 24 57.798 1.256 -9.162 178 1HB PRO 24 HB1 PRO 24 59.762 1.196 -10.379 179 2HB PRO 24 HB2 PRO 24 59.345 2.888 -10.713 180 1HG PRO 24 HG1 PRO 24 59.713 1.045 -12.653 181 2HG PRO 24 HG2 PRO 24 58.605 2.414 -12.820 182 1HD PRO 24 HD1 PRO 24 58.016 -0.452 -12.492 183 2HD PRO 24 HD2 PRO 24 56.996 0.848 -13.141 184 H SER 25 HN SER 25 55.355 2.118 -9.176 185 HA SER 25 HA SER 25 55.485 5.028 -9.128 186 1HB SER 25 HB1 SER 25 53.372 4.158 -10.999 187 2HB SER 25 HB2 SER 25 55.008 3.885 -11.590 188 HG SER 25 HG SER 25 55.453 6.094 -11.021 189 H SER 26 HN SER 26 53.337 2.190 -9.300 190 HA SER 26 HA SER 26 51.127 3.352 -7.864 191 1HB SER 26 HB1 SER 26 50.788 0.737 -7.487 192 2HB SER 26 HB2 SER 26 52.096 0.634 -8.660 193 HG SER 26 HG SER 26 50.897 1.712 -10.139 194 H VAL 27 HN VAL 27 53.255 0.720 -6.698 195 HA VAL 27 HA VAL 27 52.633 1.187 -3.921 196 HB VAL 27 HB VAL 27 54.455 -0.469 -3.576 197 1HG1 VAL 27 HG11 VAL 27 52.067 -0.973 -4.553 198 2HG1 VAL 27 HG12 VAL 27 53.288 -2.246 -4.529 199 3HG1 VAL 27 HG13 VAL 27 52.962 -1.365 -6.022 200 1HG2 VAL 27 HG21 VAL 27 55.189 0.490 -6.266 201 2HG2 VAL 27 HG22 VAL 27 55.205 -1.267 -6.112 202 3HG2 VAL 27 HG23 VAL 27 56.189 -0.278 -5.034 203 H THR 28 HN THR 28 54.938 2.667 -6.069 204 HA THR 28 HA THR 28 56.626 3.651 -3.834 205 HB THR 28 HB THR 28 57.989 4.518 -5.734 206 HG1 THR 28 HG1 THR 28 56.713 4.935 -7.376 207 1HG2 THR 28 HG21 THR 28 57.946 2.043 -4.864 208 2HG2 THR 28 HG22 THR 28 58.822 2.426 -6.347 209 3HG2 THR 28 HG23 THR 28 57.217 1.702 -6.433 210 H GLY 29 HN GLY 29 54.116 4.747 -6.031 211 1HA GLY 29 HA1 GLY 29 53.512 7.046 -6.527 212 2HA GLY 29 HA2 GLY 29 54.526 7.570 -5.180 213 H ASN 30 HN ASN 30 51.918 8.500 -5.378 214 HA ASN 30 HA ASN 30 50.460 6.966 -3.245 215 1HB ASN 30 HB1 ASN 30 49.856 9.198 -2.333 216 2HB ASN 30 HB2 ASN 30 50.803 9.964 -3.608 217 1HD2 ASN 30 HD21 ASN 30 52.250 10.899 -1.948 218 2HD2 ASN 30 HD22 ASN 30 53.406 9.929 -1.169 219 H ALA 31 HN ALA 31 50.146 7.034 -6.245 220 HA ALA 31 HA ALA 31 47.620 8.516 -6.667 221 1HB ALA 31 HB1 ALA 31 49.766 7.237 -8.231 222 2HB ALA 31 HB2 ALA 31 48.779 8.644 -8.624 223 3HB ALA 31 HB3 ALA 31 48.158 7.021 -8.922 224 H LEU 32 HN LEU 32 48.741 5.124 -6.959 225 HA LEU 32 HA LEU 32 46.185 3.935 -7.394 226 1HB LEU 32 HB1 LEU 32 48.191 2.409 -5.829 227 2HB LEU 32 HB2 LEU 32 48.807 3.143 -7.313 228 HG LEU 32 HG LEU 32 46.243 1.546 -7.256 229 1HD1 LEU 32 HD11 LEU 32 48.023 1.635 -9.620 230 2HD1 LEU 32 HD12 LEU 32 47.294 3.177 -9.175 231 3HD1 LEU 32 HD13 LEU 32 46.269 1.785 -9.524 232 1HD2 LEU 32 HD21 LEU 32 47.431 -0.349 -6.979 233 2HD2 LEU 32 HD22 LEU 32 48.923 0.574 -6.843 234 3HD2 LEU 32 HD23 LEU 32 48.360 0.039 -8.425 235 H TRP 33 HN TRP 33 47.773 5.007 -4.451 236 HA TRP 33 HA TRP 33 45.942 3.581 -2.652 237 1HB TRP 33 HB1 TRP 33 47.248 4.707 -0.925 238 2HB TRP 33 HB2 TRP 33 47.892 5.849 -2.104 239 HD1 TRP 33 HD1 TRP 33 49.868 5.098 -3.607 240 HE1 TRP 33 HE1 TRP 33 51.372 3.008 -3.669 241 HE3 TRP 33 HE3 TRP 33 47.258 2.026 -0.459 242 HZ2 TRP 33 HZ2 TRP 33 51.457 0.390 -2.545 243 HZ3 TRP 33 HZ3 TRP 33 48.087 -0.263 0.024 244 HH2 TRP 33 HH2 TRP 33 50.180 -1.080 -1.014 245 H LYS 34 HN LYS 34 46.530 7.010 -3.500 246 HA LYS 34 HA LYS 34 44.414 8.216 -2.064 247 1HB LYS 34 HB1 LYS 34 44.582 9.728 -4.316 248 2HB LYS 34 HB2 LYS 34 46.061 8.783 -4.476 249 1HG LYS 34 HG1 LYS 34 46.800 10.591 -3.199 250 2HG LYS 34 HG2 LYS 34 46.392 9.422 -1.943 251 1HD LYS 34 HD1 LYS 34 44.433 10.544 -1.355 252 2HD LYS 34 HD2 LYS 34 44.279 11.314 -2.933 253 1HE LYS 34 HE1 LYS 34 46.754 12.201 -1.803 254 2HE LYS 34 HE2 LYS 34 45.505 12.372 -0.556 255 1HZ LYS 34 HZ1 LYS 34 45.638 14.279 -2.139 256 2HZ LYS 34 HZ2 LYS 34 44.113 13.531 -2.099 257 3HZ LYS 34 HZ3 LYS 34 45.177 13.228 -3.388 258 H ALA 35 HN ALA 35 44.394 6.911 -5.396 259 HA ALA 35 HA ALA 35 41.648 7.510 -5.986 260 1HB ALA 35 HB1 ALA 35 42.877 6.979 -7.868 261 2HB ALA 35 HB2 ALA 35 42.191 5.385 -7.553 262 3HB ALA 35 HB3 ALA 35 43.832 5.761 -7.023 263 H MET 36 HN MET 36 43.227 4.692 -4.507 264 HA MET 36 HA MET 36 41.039 2.878 -4.453 265 1HB MET 36 HB1 MET 36 43.151 3.303 -2.318 266 2HB MET 36 HB2 MET 36 43.467 2.491 -3.852 267 1HG MET 36 HG1 MET 36 42.194 0.640 -3.288 268 2HG MET 36 HG2 MET 36 41.142 1.562 -2.212 269 1HE MET 36 HE1 MET 36 45.279 -0.185 -1.433 270 2HE MET 36 HE2 MET 36 44.654 0.467 -2.946 271 3HE MET 36 HE3 MET 36 43.976 -1.020 -2.288 272 H GLU 37 HN GLU 37 42.006 5.353 -2.068 273 HA GLU 37 HA GLU 37 39.917 4.874 -0.171 274 1HB GLU 37 HB1 GLU 37 41.108 7.582 -0.759 275 2HB GLU 37 HB2 GLU 37 42.117 6.291 -0.107 276 1HG GLU 37 HG1 GLU 37 41.261 6.575 1.963 277 2HG GLU 37 HG2 GLU 37 39.609 6.462 1.356 278 H LYS 38 HN LYS 38 40.078 6.921 -3.072 279 HA LYS 38 HA LYS 38 37.326 7.933 -2.626 280 1HB LYS 38 HB1 LYS 38 39.119 8.431 -5.001 281 2HB LYS 38 HB2 LYS 38 39.431 9.214 -3.452 282 1HG LYS 38 HG1 LYS 38 36.628 9.332 -4.425 283 2HG LYS 38 HG2 LYS 38 37.804 10.264 -5.351 284 1HD LYS 38 HD1 LYS 38 38.502 10.839 -2.731 285 2HD LYS 38 HD2 LYS 38 36.743 10.733 -2.646 286 1HE LYS 38 HE1 LYS 38 36.482 12.680 -3.810 287 2HE LYS 38 HE2 LYS 38 37.718 12.226 -5.000 288 1HZ LYS 38 HZ1 LYS 38 38.433 14.093 -3.595 289 2HZ LYS 38 HZ2 LYS 38 39.422 12.729 -3.366 290 3HZ LYS 38 HZ3 LYS 38 38.243 13.131 -2.210 291 H SER 39 HN SER 39 38.328 5.031 -3.639 292 HA SER 39 HA SER 39 36.372 4.897 -5.912 293 1HB SER 39 HB1 SER 39 39.031 3.558 -5.381 294 2HB SER 39 HB2 SER 39 38.562 4.531 -6.773 295 HG SER 39 HG SER 39 38.411 1.937 -6.559 296 H SER 40 HN SER 40 38.042 2.429 -3.936 297 HA SER 40 HA SER 40 35.443 1.573 -2.767 298 1HB SER 40 HB1 SER 40 37.283 -0.279 -4.311 299 2HB SER 40 HB2 SER 40 35.849 0.469 -5.010 300 HG SER 40 HG SER 40 35.563 -1.684 -4.076 301 H LEU 41 HN LEU 41 36.522 2.300 -0.771 302 HA LEU 41 HA LEU 41 38.463 0.273 0.266 303 1HB LEU 41 HB1 LEU 41 38.759 3.086 1.164 304 2HB LEU 41 HB2 LEU 41 39.097 2.818 -0.536 305 HG LEU 41 HG LEU 41 40.712 1.058 0.027 306 1HD1 LEU 41 HD11 LEU 41 42.426 2.490 1.026 307 2HD1 LEU 41 HD12 LEU 41 41.184 3.584 1.635 308 3HD1 LEU 41 HD13 LEU 41 41.446 3.427 -0.103 309 1HD2 LEU 41 HD21 LEU 41 40.422 1.805 2.939 310 2HD2 LEU 41 HD22 LEU 41 41.233 0.405 2.239 311 3HD2 LEU 41 HD23 LEU 41 39.472 0.493 2.242 312 H THR 42 HN THR 42 38.351 2.233 2.789 313 HA THR 42 HA THR 42 35.569 1.798 3.680 314 HB THR 42 HB THR 42 37.676 0.701 5.484 315 HG1 THR 42 HG1 THR 42 38.409 -0.545 3.966 316 1HG2 THR 42 HG21 THR 42 35.095 0.758 5.781 317 2HG2 THR 42 HG22 THR 42 35.948 -0.735 6.170 318 3HG2 THR 42 HG23 THR 42 35.089 -0.582 4.638 319 H GLN 43 HN GLN 43 36.329 2.117 6.502 320 HA GLN 43 HA GLN 43 36.550 5.004 6.607 321 1HB GLN 43 HB1 GLN 43 36.990 4.054 9.161 322 2HB GLN 43 HB2 GLN 43 36.139 2.706 8.408 323 1HG GLN 43 HG1 GLN 43 34.830 5.138 7.620 324 2HG GLN 43 HG2 GLN 43 35.054 5.182 9.367 325 1HE2 GLN 43 HE21 GLN 43 33.315 3.618 6.762 326 2HE2 GLN 43 HE22 GLN 43 32.374 2.598 7.738 327 H HIS 44 HN HIS 44 38.675 5.057 5.359 328 HA HIS 44 HA HIS 44 40.898 5.315 7.263 329 1HB HIS 44 HB1 HIS 44 42.088 3.715 5.338 330 2HB HIS 44 HB2 HIS 44 40.484 2.992 5.502 331 HD1 HIS 44 HD1 HIS 44 43.494 3.952 7.590 332 HD2 HIS 44 HD2 HIS 44 40.076 1.582 7.880 333 HE1 HIS 44 HE1 HIS 44 43.716 2.645 9.740 334 H SER 45 HN SER 45 42.891 6.104 6.102 335 HA SER 45 HA SER 45 42.118 7.769 3.726 336 1HB SER 45 HB1 SER 45 42.663 9.321 5.352 337 2HB SER 45 HB2 SER 45 44.273 9.028 4.707 338 HG SER 45 HG SER 45 44.837 8.033 6.463 339 H TRP 46 HN TRP 46 43.818 8.062 2.102 340 HA TRP 46 HA TRP 46 45.153 5.655 1.359 341 1HB TRP 46 HB1 TRP 46 44.398 7.795 0.037 342 2HB TRP 46 HB2 TRP 46 45.830 6.930 -0.513 343 HD1 TRP 46 HD1 TRP 46 44.701 10.254 0.837 344 HE1 TRP 46 HE1 TRP 46 46.726 11.851 0.972 345 HE3 TRP 46 HE3 TRP 46 48.477 6.937 -0.015 346 HZ2 TRP 46 HZ2 TRP 46 49.583 11.727 0.746 347 HZ3 TRP 46 HZ3 TRP 46 50.841 7.696 -0.048 348 HH2 TRP 46 HH2 TRP 46 51.397 10.083 0.333 349 H GLN 47 HN GLN 47 46.227 8.446 3.237 350 HA GLN 47 HA GLN 47 49.034 8.023 3.265 351 1HB GLN 47 HB1 GLN 47 48.683 9.109 5.638 352 2HB GLN 47 HB2 GLN 47 46.995 9.213 5.132 353 1HG GLN 47 HG1 GLN 47 47.567 10.554 3.222 354 2HG GLN 47 HG2 GLN 47 49.290 10.244 3.443 355 1HE2 GLN 47 HE21 GLN 47 50.223 12.172 4.163 356 2HE2 GLN 47 HE22 GLN 47 49.579 13.167 5.378 357 H SER 48 HN SER 48 46.704 6.995 5.802 358 HA SER 48 HA SER 48 48.497 5.300 7.235 359 1HB SER 48 HB1 SER 48 45.485 5.220 6.841 360 2HB SER 48 HB2 SER 48 46.353 6.077 8.112 361 HG SER 48 HG SER 48 45.441 3.750 8.388 362 H LEU 49 HN LEU 49 46.621 4.785 4.317 363 HA LEU 49 HA LEU 49 46.758 1.906 4.199 364 1HB LEU 49 HB1 LEU 49 46.792 3.560 1.719 365 2HB LEU 49 HB2 LEU 49 45.490 3.896 2.856 366 HG LEU 49 HG LEU 49 44.843 2.201 1.173 367 1HD1 LEU 49 HD11 LEU 49 47.401 1.263 1.415 368 2HD1 LEU 49 HD12 LEU 49 46.077 0.352 0.691 369 3HD1 LEU 49 HD13 LEU 49 46.513 0.083 2.378 370 1HD2 LEU 49 HD21 LEU 49 44.395 2.149 3.891 371 2HD2 LEU 49 HD22 LEU 49 44.983 0.513 3.591 372 3HD2 LEU 49 HD23 LEU 49 43.573 1.118 2.720 373 H LYS 50 HN LYS 50 48.634 4.417 2.472 374 HA LYS 50 HA LYS 50 50.581 2.666 1.325 375 1HB LYS 50 HB1 LYS 50 50.818 5.579 2.153 376 2HB LYS 50 HB2 LYS 50 50.064 5.018 0.660 377 1HG LYS 50 HG1 LYS 50 52.833 4.077 1.276 378 2HG LYS 50 HG2 LYS 50 52.629 5.741 0.727 379 1HD LYS 50 HD1 LYS 50 51.278 4.837 -1.209 380 2HD LYS 50 HD2 LYS 50 51.743 3.215 -0.698 381 1HE LYS 50 HE1 LYS 50 53.712 5.425 -1.400 382 2HE LYS 50 HE2 LYS 50 53.257 4.091 -2.479 383 1HZ LYS 50 HZ1 LYS 50 55.205 3.451 -1.256 384 2HZ LYS 50 HZ2 LYS 50 53.894 2.559 -0.645 385 3HZ LYS 50 HZ3 LYS 50 54.498 3.891 0.220 386 H ASP 51 HN ASP 51 50.605 4.543 4.361 387 HA ASP 51 HA ASP 51 53.257 3.965 5.214 388 1HB ASP 51 HB1 ASP 51 51.127 4.045 7.272 389 2HB ASP 51 HB2 ASP 51 51.093 5.378 6.118 390 H ARG 52 HN ARG 52 50.278 2.073 5.457 391 HA ARG 52 HA ARG 52 51.269 0.062 7.271 392 1HB ARG 52 HB1 ARG 52 49.033 0.253 5.236 393 2HB ARG 52 HB2 ARG 52 48.912 0.353 6.987 394 1HG ARG 52 HG1 ARG 52 49.483 -2.116 5.329 395 2HG ARG 52 HG2 ARG 52 48.075 -1.810 6.334 396 1HD ARG 52 HD1 ARG 52 50.149 -1.529 8.149 397 2HD ARG 52 HD2 ARG 52 50.723 -2.844 7.105 398 HE ARG 52 HE ARG 52 48.456 -2.982 8.920 399 1HH1 ARG 52 HH11 ARG 52 50.060 -5.364 8.134 400 2HH1 ARG 52 HH12 ARG 52 48.970 -6.225 7.098 401 1HH2 ARG 52 HH21 ARG 52 46.874 -3.508 6.604 402 2HH2 ARG 52 HH22 ARG 52 47.168 -5.173 6.232 403 H TYR 53 HN TYR 53 51.175 0.299 3.706 404 HA TYR 53 HA TYR 53 52.174 -2.308 3.108 405 1HB TYR 53 HB1 TYR 53 52.923 0.069 1.454 406 2HB TYR 53 HB2 TYR 53 51.210 -0.278 1.682 407 HD1 TYR 53 HD1 TYR 53 53.918 -0.892 -0.420 408 HD2 TYR 53 HD2 TYR 53 50.682 -2.941 1.522 409 HE1 TYR 53 HE1 TYR 53 54.057 -2.704 -2.106 410 HE2 TYR 53 HE2 TYR 53 50.818 -4.754 -0.162 411 HH TYR 53 HH TYR 53 53.412 -4.900 -2.525 412 H LEU 54 HN LEU 54 53.841 0.708 3.937 413 HA LEU 54 HA LEU 54 56.510 -0.518 3.546 414 1HB LEU 54 HB1 LEU 54 57.127 1.848 4.421 415 2HB LEU 54 HB2 LEU 54 55.403 2.192 4.284 416 HG LEU 54 HG LEU 54 55.667 1.203 1.873 417 1HD1 LEU 54 HD11 LEU 54 56.637 3.900 2.829 418 2HD1 LEU 54 HD12 LEU 54 55.070 3.488 2.132 419 3HD1 LEU 54 HD13 LEU 54 56.508 3.514 1.113 420 1HD2 LEU 54 HD21 LEU 54 57.888 0.357 1.934 421 2HD2 LEU 54 HD22 LEU 54 58.506 1.811 2.719 422 3HD2 LEU 54 HD23 LEU 54 58.019 1.862 1.025 423 H LYS 55 HN LYS 55 54.288 0.328 6.140 424 HA LYS 55 HA LYS 55 55.986 0.394 8.390 425 1HB LYS 55 HB1 LYS 55 53.745 -0.811 9.346 426 2HB LYS 55 HB2 LYS 55 53.155 -0.249 7.783 427 1HG LYS 55 HG1 LYS 55 52.743 1.600 9.169 428 2HG LYS 55 HG2 LYS 55 54.304 2.007 8.458 429 1HD LYS 55 HD1 LYS 55 55.452 1.120 10.445 430 2HD LYS 55 HD2 LYS 55 53.900 0.662 11.148 431 1HE LYS 55 HE1 LYS 55 53.382 3.266 10.672 432 2HE LYS 55 HE2 LYS 55 55.142 3.365 10.880 433 1HZ LYS 55 HZ1 LYS 55 54.890 2.042 12.921 434 2HZ LYS 55 HZ2 LYS 55 53.202 2.055 12.726 435 3HZ LYS 55 HZ3 LYS 55 54.038 3.505 13.022 436 H HIS 56 HN HIS 56 54.228 -2.499 7.173 437 HA HIS 56 HA HIS 56 56.526 -4.204 7.822 438 1HB HIS 56 HB1 HIS 56 55.629 -3.991 10.025 439 2HB HIS 56 HB2 HIS 56 55.131 -5.574 9.443 440 HD1 HIS 56 HD1 HIS 56 53.445 -4.553 11.639 441 HD2 HIS 56 HD2 HIS 56 52.657 -3.525 7.681 442 HE1 HIS 56 HE1 HIS 56 51.015 -3.854 11.550 443 H LEU 57 HN LEU 57 55.235 -3.827 5.349 444 HA LEU 57 HA LEU 57 53.979 -6.522 4.943 445 1HB LEU 57 HB1 LEU 57 52.658 -5.361 3.116 446 2HB LEU 57 HB2 LEU 57 53.294 -3.833 3.718 447 HG LEU 57 HG LEU 57 52.273 -4.242 5.902 448 1HD1 LEU 57 HD11 LEU 57 49.854 -4.249 5.157 449 2HD1 LEU 57 HD12 LEU 57 50.434 -4.577 3.525 450 3HD1 LEU 57 HD13 LEU 57 50.878 -3.077 4.334 451 1HD2 LEU 57 HD21 LEU 57 52.147 -6.503 6.350 452 2HD2 LEU 57 HD22 LEU 57 51.754 -6.915 4.682 453 3HD2 LEU 57 HD23 LEU 57 50.506 -6.267 5.747 454 H ARG 58 HN ARG 58 55.407 -3.798 3.097 455 HA ARG 58 HA ARG 58 56.712 -5.761 1.269 456 1HB ARG 58 HB1 ARG 58 56.641 -2.757 1.000 457 2HB ARG 58 HB2 ARG 58 55.216 -3.725 0.627 458 1HG ARG 58 HG1 ARG 58 57.861 -4.513 -0.551 459 2HG ARG 58 HG2 ARG 58 56.975 -3.165 -1.265 460 1HD ARG 58 HD1 ARG 58 54.934 -4.772 -1.267 461 2HD ARG 58 HD2 ARG 58 56.133 -6.059 -1.030 462 HE ARG 58 HE ARG 58 56.016 -4.212 -3.379 463 1HH1 ARG 58 HH11 ARG 58 58.475 -4.542 -4.020 464 2HH1 ARG 58 HH12 ARG 58 58.816 -6.202 -4.376 465 1HH2 ARG 58 HH21 ARG 58 55.944 -7.396 -2.840 466 2HH2 ARG 58 HH22 ARG 58 57.382 -7.819 -3.708 467 H GLY 59 HN GLY 59 58.868 -6.177 1.541 468 1HA GLY 59 HA1 GLY 59 60.477 -5.078 3.586 469 2HA GLY 59 HA2 GLY 59 60.832 -4.170 2.115 Start of MODEL 9 1 1H GLY 1 HT1 GLY 1 35.460 6.808 10.317 2 2H GLY 1 HT2 GLY 1 36.051 5.993 11.685 3 3H GLY 1 HT3 GLY 1 34.425 6.478 11.618 4 1HA GLY 1 HA1 GLY 1 34.842 4.926 9.359 5 2HA GLY 1 HA2 GLY 1 33.869 4.524 10.771 6 H ARG 2 HN ARG 2 35.400 3.883 12.743 7 HA ARG 2 HA ARG 2 36.934 2.320 13.632 8 1HB ARG 2 HB1 ARG 2 37.219 0.327 11.965 9 2HB ARG 2 HB2 ARG 2 36.073 1.218 10.961 10 1HG ARG 2 HG1 ARG 2 34.736 -0.241 12.292 11 2HG ARG 2 HG2 ARG 2 34.588 1.342 13.055 12 1HD ARG 2 HD1 ARG 2 35.120 0.109 14.943 13 2HD ARG 2 HD2 ARG 2 36.774 0.398 14.369 14 HE ARG 2 HE ARG 2 35.228 -2.119 14.053 15 1HH1 ARG 2 HH11 ARG 2 38.229 -0.940 14.705 16 2HH1 ARG 2 HH12 ARG 2 39.095 -1.941 13.588 17 1HH2 ARG 2 HH21 ARG 2 36.237 -3.107 12.009 18 2HH2 ARG 2 HH22 ARG 2 37.967 -3.168 12.062 19 H ILE 3 HN ILE 3 38.724 3.876 13.580 20 HA ILE 3 HA ILE 3 40.468 4.147 11.284 21 HB ILE 3 HB ILE 3 40.206 5.810 13.107 22 1HG1 ILE 3 HG11 ILE 3 42.977 4.632 12.764 23 2HG1 ILE 3 HG12 ILE 3 42.665 6.197 13.515 24 1HG2 ILE 3 HG21 ILE 3 40.266 3.724 14.825 25 2HG2 ILE 3 HG22 ILE 3 40.632 5.378 15.313 26 3HG2 ILE 3 HG23 ILE 3 41.943 4.255 14.948 27 1HD1 ILE 3 HD11 ILE 3 42.047 5.356 10.671 28 2HD1 ILE 3 HD12 ILE 3 43.157 6.621 11.199 29 3HD1 ILE 3 HD13 ILE 3 41.418 6.836 11.395 30 H ALA 4 HN ALA 4 40.482 1.640 11.014 31 HA ALA 4 HA ALA 4 43.079 0.641 11.906 32 1HB ALA 4 HB1 ALA 4 41.387 -1.396 12.822 33 2HB ALA 4 HB2 ALA 4 40.614 0.090 13.374 34 3HB ALA 4 HB3 ALA 4 42.282 -0.259 13.828 35 H PHE 5 HN PHE 5 43.300 -1.743 11.106 36 HA PHE 5 HA PHE 5 41.590 -2.218 8.690 37 1HB PHE 5 HB1 PHE 5 43.827 -2.900 7.612 38 2HB PHE 5 HB2 PHE 5 44.599 -2.103 8.984 39 HD1 PHE 5 HD1 PHE 5 44.660 0.292 9.166 40 HD2 PHE 5 HD2 PHE 5 42.353 -1.594 6.073 41 HE1 PHE 5 HE1 PHE 5 44.348 2.490 8.058 42 HE2 PHE 5 HE2 PHE 5 42.042 0.603 4.965 43 HZ PHE 5 HZ PHE 5 43.039 2.644 5.957 44 H THR 6 HN THR 6 40.537 -3.917 9.947 45 HA THR 6 HA THR 6 42.000 -6.065 11.213 46 HB THR 6 HB THR 6 39.686 -5.440 11.775 47 HG1 THR 6 HG1 THR 6 40.140 -7.549 12.196 48 1HG2 THR 6 HG21 THR 6 39.372 -5.534 8.917 49 2HG2 THR 6 HG22 THR 6 38.240 -4.940 10.130 50 3HG2 THR 6 HG23 THR 6 38.220 -6.639 9.664 51 H ASP 7 HN ASP 7 41.098 -8.421 10.273 52 HA ASP 7 HA ASP 7 42.720 -8.999 7.998 53 1HB ASP 7 HB1 ASP 7 41.044 -11.091 8.081 54 2HB ASP 7 HB2 ASP 7 40.603 -10.348 9.619 55 H ALA 8 HN ALA 8 39.251 -8.278 8.264 56 HA ALA 8 HA ALA 8 38.540 -8.945 5.556 57 1HB ALA 8 HB1 ALA 8 36.915 -6.827 6.620 58 2HB ALA 8 HB2 ALA 8 37.341 -7.916 7.938 59 3HB ALA 8 HB3 ALA 8 36.531 -8.543 6.504 60 H ASP 9 HN ASP 9 38.901 -5.682 7.009 61 HA ASP 9 HA ASP 9 38.878 -4.199 4.597 62 1HB ASP 9 HB1 ASP 9 40.067 -2.485 6.022 63 2HB ASP 9 HB2 ASP 9 40.261 -3.731 7.258 64 H ASP 10 HN ASP 10 41.465 -6.057 6.075 65 HA ASP 10 HA ASP 10 43.663 -4.854 4.615 66 1HB ASP 10 HB1 ASP 10 44.634 -7.223 5.314 67 2HB ASP 10 HB2 ASP 10 43.143 -7.315 6.252 68 H VAL 11 HN VAL 11 41.737 -7.834 4.122 69 HA VAL 11 HA VAL 11 43.078 -8.779 1.790 70 HB VAL 11 HB VAL 11 40.172 -8.990 2.656 71 1HG1 VAL 11 HG11 VAL 11 41.745 -10.884 0.890 72 2HG1 VAL 11 HG12 VAL 11 40.685 -9.630 0.247 73 3HG1 VAL 11 HG13 VAL 11 40.017 -10.926 1.239 74 1HG2 VAL 11 HG21 VAL 11 42.265 -9.769 4.121 75 2HG2 VAL 11 HG22 VAL 11 42.204 -11.151 3.029 76 3HG2 VAL 11 HG23 VAL 11 40.803 -10.747 4.020 77 H ALA 12 HN ALA 12 40.466 -6.409 2.185 78 HA ALA 12 HA ALA 12 39.766 -6.091 -0.574 79 1HB ALA 12 HB1 ALA 12 39.221 -3.681 0.449 80 2HB ALA 12 HB2 ALA 12 39.578 -4.508 1.965 81 3HB ALA 12 HB3 ALA 12 38.283 -5.097 0.921 82 H ILE 13 HN ILE 13 42.200 -4.458 1.454 83 HA ILE 13 HA ILE 13 43.130 -2.670 -0.638 84 HB ILE 13 HB ILE 13 44.405 -3.670 1.938 85 1HG1 ILE 13 HG11 ILE 13 42.094 -2.403 1.897 86 2HG1 ILE 13 HG12 ILE 13 43.093 -0.991 1.553 87 1HG2 ILE 13 HG21 ILE 13 45.495 -1.278 1.655 88 2HG2 ILE 13 HG22 ILE 13 45.145 -1.545 -0.053 89 3HG2 ILE 13 HG23 ILE 13 46.188 -2.668 0.819 90 1HD1 ILE 13 HD11 ILE 13 44.500 -1.685 3.578 91 2HD1 ILE 13 HD12 ILE 13 43.196 -2.803 3.973 92 3HD1 ILE 13 HD13 ILE 13 42.888 -1.067 3.930 93 H LEU 14 HN LEU 14 44.297 -5.763 0.704 94 HA LEU 14 HA LEU 14 46.682 -6.110 -0.749 95 1HB LEU 14 HB1 LEU 14 44.524 -8.044 0.153 96 2HB LEU 14 HB2 LEU 14 45.987 -7.596 1.024 97 HG LEU 14 HG LEU 14 45.898 -9.113 -1.602 98 1HD1 LEU 14 HD11 LEU 14 48.178 -8.232 0.190 99 2HD1 LEU 14 HD12 LEU 14 47.918 -7.803 -1.500 100 3HD1 LEU 14 HD13 LEU 14 48.353 -9.456 -1.068 101 1HD2 LEU 14 HD21 LEU 14 47.013 -10.271 0.907 102 2HD2 LEU 14 HD22 LEU 14 46.142 -11.063 -0.406 103 3HD2 LEU 14 HD23 LEU 14 45.257 -10.137 0.805 104 H THR 15 HN THR 15 43.442 -7.332 -1.718 105 HA THR 15 HA THR 15 44.172 -8.251 -4.310 106 HB THR 15 HB THR 15 41.551 -7.064 -3.334 107 HG1 THR 15 HG1 THR 15 41.703 -8.706 -2.038 108 1HG2 THR 15 HG21 THR 15 40.548 -7.906 -5.199 109 2HG2 THR 15 HG22 THR 15 41.611 -9.312 -5.260 110 3HG2 THR 15 HG23 THR 15 42.163 -7.760 -5.891 111 H TYR 16 HN TYR 16 42.814 -5.082 -3.342 112 HA TYR 16 HA TYR 16 42.753 -3.884 -5.930 113 1HB TYR 16 HB1 TYR 16 43.236 -2.643 -3.199 114 2HB TYR 16 HB2 TYR 16 41.654 -3.042 -3.867 115 HD1 TYR 16 HD1 TYR 16 44.691 -0.952 -4.403 116 HD2 TYR 16 HD2 TYR 16 40.562 -1.584 -5.400 117 HE1 TYR 16 HE1 TYR 16 44.641 1.233 -5.575 118 HE2 TYR 16 HE2 TYR 16 40.511 0.600 -6.573 119 HH TYR 16 HH TYR 16 42.310 2.109 -7.722 120 H VAL 17 HN VAL 17 45.323 -3.862 -3.439 121 HA VAL 17 HA VAL 17 47.170 -2.189 -4.860 122 HB VAL 17 HB VAL 17 47.588 -4.398 -2.812 123 1HG1 VAL 17 HG11 VAL 17 49.406 -2.042 -3.019 124 2HG1 VAL 17 HG12 VAL 17 49.590 -3.302 -4.237 125 3HG1 VAL 17 HG13 VAL 17 49.763 -3.698 -2.530 126 1HG2 VAL 17 HG21 VAL 17 46.078 -2.198 -2.461 127 2HG2 VAL 17 HG22 VAL 17 47.661 -1.497 -2.127 128 3HG2 VAL 17 HG23 VAL 17 47.082 -2.864 -1.173 129 H LYS 18 HN LYS 18 47.303 -5.744 -4.424 130 HA LYS 18 HA LYS 18 49.343 -6.252 -6.334 131 1HB LYS 18 HB1 LYS 18 47.144 -8.226 -5.945 132 2HB LYS 18 HB2 LYS 18 47.985 -7.672 -4.498 133 1HG LYS 18 HG1 LYS 18 49.689 -8.406 -6.825 134 2HG LYS 18 HG2 LYS 18 48.868 -9.734 -6.004 135 1HD LYS 18 HD1 LYS 18 50.311 -7.657 -4.381 136 2HD LYS 18 HD2 LYS 18 51.233 -8.944 -5.160 137 1HE LYS 18 HE1 LYS 18 49.185 -10.378 -4.029 138 2HE LYS 18 HE2 LYS 18 49.408 -9.082 -2.836 139 1HZ LYS 18 HZ1 LYS 18 50.964 -10.838 -2.371 140 2HZ LYS 18 HZ2 LYS 18 51.832 -9.517 -2.993 141 3HZ LYS 18 HZ3 LYS 18 51.505 -10.861 -3.978 142 H GLU 19 HN GLU 19 45.991 -5.449 -6.847 143 HA GLU 19 HA GLU 19 45.794 -6.666 -9.503 144 1HB GLU 19 HB1 GLU 19 43.706 -5.010 -9.380 145 2HB GLU 19 HB2 GLU 19 44.146 -4.969 -7.674 146 1HG GLU 19 HG1 GLU 19 42.646 -6.780 -7.796 147 2HG GLU 19 HG2 GLU 19 44.224 -7.566 -7.874 148 H ASN 20 HN ASN 20 46.509 -3.430 -8.209 149 HA ASN 20 HA ASN 20 46.761 -2.400 -11.011 150 1HB ASN 20 HB1 ASN 20 46.504 -0.208 -9.979 151 2HB ASN 20 HB2 ASN 20 46.630 -0.914 -8.373 152 1HD2 ASN 20 HD21 ASN 20 44.476 -0.120 -7.812 153 2HD2 ASN 20 HD22 ASN 20 43.082 -0.854 -8.443 154 H ALA 21 HN ALA 21 48.396 -2.041 -7.835 155 HA ALA 21 HA ALA 21 50.722 -0.746 -8.614 156 1HB ALA 21 HB1 ALA 21 50.242 -2.918 -6.565 157 2HB ALA 21 HB2 ALA 21 50.182 -1.173 -6.315 158 3HB ALA 21 HB3 ALA 21 51.725 -1.969 -6.627 159 H ARG 22 HN ARG 22 51.485 -4.077 -7.720 160 HA ARG 22 HA ARG 22 52.928 -5.628 -8.757 161 1HB ARG 22 HB1 ARG 22 51.707 -4.747 -11.356 162 2HB ARG 22 HB2 ARG 22 50.672 -5.459 -10.117 163 1HG ARG 22 HG1 ARG 22 53.245 -6.824 -10.852 164 2HG ARG 22 HG2 ARG 22 51.838 -7.011 -11.901 165 1HD ARG 22 HD1 ARG 22 50.726 -8.308 -10.364 166 2HD ARG 22 HD2 ARG 22 51.331 -7.362 -8.989 167 HE ARG 22 HE ARG 22 53.234 -9.099 -10.496 168 1HH1 ARG 22 HH11 ARG 22 53.477 -7.584 -7.749 169 2HH1 ARG 22 HH12 ARG 22 53.492 -8.944 -6.677 170 1HH2 ARG 22 HH21 ARG 22 52.379 -11.185 -9.076 171 2HH2 ARG 22 HH22 ARG 22 52.870 -10.983 -7.428 172 H SER 23 HN SER 23 53.784 -2.679 -8.666 173 HA SER 23 HA SER 23 56.175 -2.978 -10.328 174 1HB SER 23 HB1 SER 23 54.118 -2.208 -11.755 175 2HB SER 23 HB2 SER 23 55.651 -1.373 -11.966 176 HG SER 23 HG SER 23 53.938 0.097 -11.697 177 HA PRO 24 HA PRO 24 57.589 -0.160 -7.223 178 1HB PRO 24 HB1 PRO 24 59.744 -0.811 -7.768 179 2HB PRO 24 HB2 PRO 24 59.839 0.842 -8.406 180 1HG PRO 24 HG1 PRO 24 60.287 -1.348 -9.918 181 2HG PRO 24 HG2 PRO 24 59.600 0.146 -10.570 182 1HD PRO 24 HD1 PRO 24 58.315 -2.461 -10.083 183 2HD PRO 24 HD2 PRO 24 57.833 -1.147 -11.176 184 H SER 25 HN SER 25 55.501 1.080 -8.158 185 HA SER 25 HA SER 25 56.361 3.874 -8.637 186 1HB SER 25 HB1 SER 25 55.101 4.059 -10.695 187 2HB SER 25 HB2 SER 25 54.444 2.437 -10.496 188 HG SER 25 HG SER 25 56.197 2.441 -11.941 189 H SER 26 HN SER 26 53.495 1.720 -8.618 190 HA SER 26 HA SER 26 51.733 3.753 -7.509 191 1HB SER 26 HB1 SER 26 50.558 1.301 -7.062 192 2HB SER 26 HB2 SER 26 51.682 0.939 -8.368 193 HG SER 26 HG SER 26 50.733 2.413 -9.652 194 H VAL 27 HN VAL 27 53.424 0.909 -6.160 195 HA VAL 27 HA VAL 27 52.399 1.234 -3.475 196 HB VAL 27 HB VAL 27 54.183 -0.414 -2.948 197 1HG1 VAL 27 HG11 VAL 27 52.290 -0.695 -5.216 198 2HG1 VAL 27 HG12 VAL 27 52.410 -1.629 -3.725 199 3HG1 VAL 27 HG13 VAL 27 53.510 -1.960 -5.063 200 1HG2 VAL 27 HG21 VAL 27 55.006 -0.200 -5.855 201 2HG2 VAL 27 HG22 VAL 27 55.809 -1.083 -4.560 202 3HG2 VAL 27 HG23 VAL 27 55.845 0.677 -4.575 203 H THR 28 HN THR 28 55.120 2.596 -5.223 204 HA THR 28 HA THR 28 56.284 3.739 -2.739 205 HB THR 28 HB THR 28 57.751 2.717 -4.427 206 HG1 THR 28 HG1 THR 28 58.713 4.383 -3.392 207 1HG2 THR 28 HG21 THR 28 56.631 2.946 -6.483 208 2HG2 THR 28 HG22 THR 28 57.978 4.076 -6.629 209 3HG2 THR 28 HG23 THR 28 56.364 4.674 -6.250 210 H GLY 29 HN GLY 29 54.324 4.659 -5.487 211 1HA GLY 29 HA1 GLY 29 53.626 6.804 -6.234 212 2HA GLY 29 HA2 GLY 29 54.701 7.540 -5.043 213 H ASN 30 HN ASN 30 51.935 8.274 -5.493 214 HA ASN 30 HA ASN 30 50.588 7.271 -3.011 215 1HB ASN 30 HB1 ASN 30 50.110 9.629 -2.433 216 2HB ASN 30 HB2 ASN 30 50.987 10.159 -3.868 217 1HD2 ASN 30 HD21 ASN 30 51.871 7.572 -1.523 218 2HD2 ASN 30 HD22 ASN 30 53.345 8.280 -1.072 219 H ALA 31 HN ALA 31 50.209 7.075 -6.103 220 HA ALA 31 HA ALA 31 47.610 8.451 -6.459 221 1HB ALA 31 HB1 ALA 31 47.927 7.900 -8.745 222 2HB ALA 31 HB2 ALA 31 48.983 6.542 -8.358 223 3HB ALA 31 HB3 ALA 31 49.561 8.196 -8.151 224 H LEU 32 HN LEU 32 48.798 5.069 -6.826 225 HA LEU 32 HA LEU 32 46.284 3.795 -7.054 226 1HB LEU 32 HB1 LEU 32 48.389 2.421 -5.472 227 2HB LEU 32 HB2 LEU 32 48.901 3.046 -7.041 228 HG LEU 32 HG LEU 32 46.306 1.580 -6.920 229 1HD1 LEU 32 HD11 LEU 32 48.186 0.809 -8.986 230 2HD1 LEU 32 HD12 LEU 32 48.056 2.566 -8.906 231 3HD1 LEU 32 HD13 LEU 32 46.613 1.587 -9.149 232 1HD2 LEU 32 HD21 LEU 32 48.723 -0.107 -7.270 233 2HD2 LEU 32 HD22 LEU 32 47.177 -0.502 -6.520 234 3HD2 LEU 32 HD23 LEU 32 48.386 0.413 -5.620 235 H TRP 33 HN TRP 33 47.931 5.036 -4.213 236 HA TRP 33 HA TRP 33 46.154 3.705 -2.289 237 1HB TRP 33 HB1 TRP 33 47.456 5.036 -0.675 238 2HB TRP 33 HB2 TRP 33 48.117 6.012 -1.986 239 HD1 TRP 33 HD1 TRP 33 50.362 5.246 -2.883 240 HE1 TRP 33 HE1 TRP 33 51.710 3.048 -2.869 241 HE3 TRP 33 HE3 TRP 33 47.005 2.162 -0.582 242 HZ2 TRP 33 HZ2 TRP 33 51.403 0.344 -2.000 243 HZ3 TRP 33 HZ3 TRP 33 47.560 -0.217 -0.168 244 HH2 TRP 33 HH2 TRP 33 49.753 -1.130 -0.875 245 H LYS 34 HN LYS 34 46.660 7.012 -3.513 246 HA LYS 34 HA LYS 34 44.554 8.324 -2.110 247 1HB LYS 34 HB1 LYS 34 44.732 9.785 -4.319 248 2HB LYS 34 HB2 LYS 34 46.101 8.726 -4.655 249 1HG LYS 34 HG1 LYS 34 47.106 9.329 -2.494 250 2HG LYS 34 HG2 LYS 34 45.723 10.354 -2.130 251 1HD LYS 34 HD1 LYS 34 46.343 11.973 -3.661 252 2HD LYS 34 HD2 LYS 34 47.172 10.817 -4.703 253 1HE LYS 34 HE1 LYS 34 49.158 11.141 -3.625 254 2HE LYS 34 HE2 LYS 34 48.392 11.054 -2.026 255 1HZ LYS 34 HZ1 LYS 34 49.272 13.303 -2.655 256 2HZ LYS 34 HZ2 LYS 34 47.622 13.280 -2.253 257 3HZ LYS 34 HZ3 LYS 34 48.101 13.361 -3.880 258 H ALA 35 HN ALA 35 44.586 6.768 -5.327 259 HA ALA 35 HA ALA 35 41.853 7.309 -6.015 260 1HB ALA 35 HB1 ALA 35 43.685 5.015 -6.800 261 2HB ALA 35 HB2 ALA 35 43.659 6.602 -7.572 262 3HB ALA 35 HB3 ALA 35 42.256 5.541 -7.690 263 H MET 36 HN MET 36 43.394 4.493 -4.449 264 HA MET 36 HA MET 36 41.142 2.795 -4.219 265 1HB MET 36 HB1 MET 36 43.365 3.216 -2.199 266 2HB MET 36 HB2 MET 36 43.557 2.305 -3.697 267 1HG MET 36 HG1 MET 36 42.119 0.597 -2.989 268 2HG MET 36 HG2 MET 36 41.316 1.632 -1.809 269 1HE MET 36 HE1 MET 36 45.630 0.164 -1.577 270 2HE MET 36 HE2 MET 36 44.716 0.728 -2.973 271 3HE MET 36 HE3 MET 36 44.431 -0.890 -2.336 272 H GLU 37 HN GLU 37 42.116 5.564 -2.239 273 HA GLU 37 HA GLU 37 40.159 5.135 -0.134 274 1HB GLU 37 HB1 GLU 37 41.566 7.681 -0.998 275 2HB GLU 37 HB2 GLU 37 42.327 6.431 -0.011 276 1HG GLU 37 HG1 GLU 37 41.505 7.894 1.618 277 2HG GLU 37 HG2 GLU 37 40.194 6.720 1.497 278 H LYS 38 HN LYS 38 40.133 6.747 -3.260 279 HA LYS 38 HA LYS 38 37.379 7.792 -2.691 280 1HB LYS 38 HB1 LYS 38 39.262 8.625 -4.906 281 2HB LYS 38 HB2 LYS 38 39.367 9.316 -3.286 282 1HG LYS 38 HG1 LYS 38 37.386 10.465 -3.506 283 2HG LYS 38 HG2 LYS 38 36.670 9.240 -4.553 284 1HD LYS 38 HD1 LYS 38 37.677 10.103 -6.467 285 2HD LYS 38 HD2 LYS 38 39.003 10.835 -5.562 286 1HE LYS 38 HE1 LYS 38 36.986 12.272 -4.521 287 2HE LYS 38 HE2 LYS 38 36.255 11.890 -6.093 288 1HZ LYS 38 HZ1 LYS 38 38.940 13.085 -5.603 289 2HZ LYS 38 HZ2 LYS 38 37.602 13.862 -6.308 290 3HZ LYS 38 HZ3 LYS 38 38.379 12.591 -7.126 291 H SER 39 HN SER 39 38.330 5.015 -3.716 292 HA SER 39 HA SER 39 36.673 5.014 -6.219 293 1HB SER 39 HB1 SER 39 39.149 4.709 -6.519 294 2HB SER 39 HB2 SER 39 38.207 3.329 -7.074 295 HG SER 39 HG SER 39 39.559 2.306 -5.815 296 H SER 40 HN SER 40 37.948 2.800 -3.684 297 HA SER 40 HA SER 40 35.264 1.801 -3.071 298 1HB SER 40 HB1 SER 40 35.861 0.771 -5.277 299 2HB SER 40 HB2 SER 40 35.625 -0.425 -4.006 300 HG SER 40 HG SER 40 38.011 0.471 -5.173 301 H LEU 41 HN LEU 41 36.273 2.544 -0.973 302 HA LEU 41 HA LEU 41 37.556 0.274 0.406 303 1HB LEU 41 HB1 LEU 41 38.868 2.980 0.535 304 2HB LEU 41 HB2 LEU 41 39.241 1.879 -0.790 305 HG LEU 41 HG LEU 41 39.315 0.820 2.010 306 1HD1 LEU 41 HD11 LEU 41 39.768 -0.873 0.494 307 2HD1 LEU 41 HD12 LEU 41 41.401 -0.269 0.775 308 3HD1 LEU 41 HD13 LEU 41 40.513 0.224 -0.667 309 1HD2 LEU 41 HD21 LEU 41 41.835 1.491 1.905 310 2HD2 LEU 41 HD22 LEU 41 40.663 2.714 2.398 311 3HD2 LEU 41 HD23 LEU 41 41.297 2.714 0.753 312 H THR 42 HN THR 42 37.480 0.571 2.755 313 HA THR 42 HA THR 42 35.122 1.786 3.775 314 HB THR 42 HB THR 42 36.554 1.547 5.982 315 HG1 THR 42 HG1 THR 42 38.522 1.469 4.678 316 1HG2 THR 42 HG21 THR 42 35.992 -0.853 4.219 317 2HG2 THR 42 HG22 THR 42 34.780 -0.010 5.186 318 3HG2 THR 42 HG23 THR 42 36.113 -0.851 5.978 319 H GLN 43 HN GLN 43 35.465 3.438 5.783 320 HA GLN 43 HA GLN 43 36.320 5.949 4.591 321 1HB GLN 43 HB1 GLN 43 35.868 6.481 7.224 322 2HB GLN 43 HB2 GLN 43 35.006 4.951 7.055 323 1HG GLN 43 HG1 GLN 43 33.335 5.939 5.898 324 2HG GLN 43 HG2 GLN 43 34.470 6.708 4.791 325 1HE2 GLN 43 HE21 GLN 43 33.535 7.077 8.271 326 2HE2 GLN 43 HE22 GLN 43 33.469 8.773 8.220 327 H HIS 44 HN HIS 44 38.576 5.785 4.230 328 HA HIS 44 HA HIS 44 40.237 6.079 6.679 329 1HB HIS 44 HB1 HIS 44 41.766 4.419 5.081 330 2HB HIS 44 HB2 HIS 44 40.136 3.800 4.810 331 HD1 HIS 44 HD1 HIS 44 42.550 4.565 7.628 332 HD2 HIS 44 HD2 HIS 44 39.068 2.372 6.958 333 HE1 HIS 44 HE1 HIS 44 42.134 3.238 9.732 334 H SER 45 HN SER 45 42.529 6.720 6.028 335 HA SER 45 HA SER 45 42.380 8.657 3.756 336 1HB SER 45 HB1 SER 45 43.179 9.890 5.509 337 2HB SER 45 HB2 SER 45 44.721 9.174 5.063 338 HG SER 45 HG SER 45 43.007 8.510 7.169 339 H TRP 46 HN TRP 46 43.833 8.535 2.031 340 HA TRP 46 HA TRP 46 44.906 6.045 1.228 341 1HB TRP 46 HB1 TRP 46 44.396 8.235 -0.064 342 2HB TRP 46 HB2 TRP 46 45.793 7.302 -0.595 343 HD1 TRP 46 HD1 TRP 46 44.817 10.657 0.790 344 HE1 TRP 46 HE1 TRP 46 46.932 12.110 1.086 345 HE3 TRP 46 HE3 TRP 46 48.415 7.120 0.055 346 HZ2 TRP 46 HZ2 TRP 46 49.787 11.795 1.027 347 HZ3 TRP 46 HZ3 TRP 46 50.815 7.711 0.187 348 HH2 TRP 46 HH2 TRP 46 51.504 10.032 0.674 349 H GLN 47 HN GLN 47 46.371 8.641 3.124 350 HA GLN 47 HA GLN 47 49.099 7.800 3.075 351 1HB GLN 47 HB1 GLN 47 48.092 8.935 5.606 352 2HB GLN 47 HB2 GLN 47 47.576 9.830 4.177 353 1HG GLN 47 HG1 GLN 47 50.014 9.787 3.428 354 2HG GLN 47 HG2 GLN 47 50.407 9.189 5.041 355 1HE2 GLN 47 HE21 GLN 47 48.296 11.808 3.695 356 2HE2 GLN 47 HE22 GLN 47 48.831 12.992 4.787 357 H SER 48 HN SER 48 46.409 6.903 5.240 358 HA SER 48 HA SER 48 47.900 5.302 7.080 359 1HB SER 48 HB1 SER 48 45.146 4.461 6.362 360 2HB SER 48 HB2 SER 48 45.324 6.159 6.790 361 HG SER 48 HG SER 48 45.009 4.400 8.507 362 H LEU 49 HN LEU 49 45.726 4.055 4.522 363 HA LEU 49 HA LEU 49 46.726 1.400 4.522 364 1HB LEU 49 HB1 LEU 49 44.655 1.802 3.449 365 2HB LEU 49 HB2 LEU 49 45.753 1.395 2.137 366 HG LEU 49 HG LEU 49 45.970 4.200 2.481 367 1HD1 LEU 49 HD11 LEU 49 44.342 3.830 0.271 368 2HD1 LEU 49 HD12 LEU 49 45.129 2.262 0.441 369 3HD1 LEU 49 HD13 LEU 49 46.102 3.722 0.270 370 1HD2 LEU 49 HD21 LEU 49 43.095 3.225 2.496 371 2HD2 LEU 49 HD22 LEU 49 43.581 4.885 2.153 372 3HD2 LEU 49 HD23 LEU 49 43.880 4.188 3.745 373 H LYS 50 HN LYS 50 48.076 4.285 3.038 374 HA LYS 50 HA LYS 50 49.852 2.843 1.213 375 1HB LYS 50 HB1 LYS 50 49.922 5.684 2.309 376 2HB LYS 50 HB2 LYS 50 49.079 5.178 0.844 377 1HG LYS 50 HG1 LYS 50 51.039 5.779 -0.172 378 2HG LYS 50 HG2 LYS 50 51.564 4.179 0.349 379 1HD LYS 50 HD1 LYS 50 52.720 5.036 2.217 380 2HD LYS 50 HD2 LYS 50 51.844 6.566 2.172 381 1HE LYS 50 HE1 LYS 50 53.097 6.411 -0.340 382 2HE LYS 50 HE2 LYS 50 54.314 5.822 0.809 383 1HZ LYS 50 HZ1 LYS 50 54.421 8.203 0.754 384 2HZ LYS 50 HZ2 LYS 50 53.718 7.756 2.235 385 3HZ LYS 50 HZ3 LYS 50 52.744 8.346 0.973 386 H ASP 51 HN ASP 51 50.422 4.753 4.188 387 HA ASP 51 HA ASP 51 53.138 4.028 4.600 388 1HB ASP 51 HB1 ASP 51 51.194 4.447 6.860 389 2HB ASP 51 HB2 ASP 51 51.507 5.761 5.724 390 H ARG 52 HN ARG 52 50.171 2.261 5.260 391 HA ARG 52 HA ARG 52 51.313 0.340 7.104 392 1HB ARG 52 HB1 ARG 52 49.041 -0.591 5.521 393 2HB ARG 52 HB2 ARG 52 48.796 1.056 6.099 394 1HG ARG 52 HG1 ARG 52 47.961 -0.569 7.748 395 2HG ARG 52 HG2 ARG 52 49.336 0.320 8.401 396 1HD ARG 52 HD1 ARG 52 50.671 -1.562 8.465 397 2HD ARG 52 HD2 ARG 52 49.997 -2.209 6.955 398 HE ARG 52 HE ARG 52 48.396 -3.349 8.275 399 1HH1 ARG 52 HH11 ARG 52 50.470 -1.996 10.440 400 2HH1 ARG 52 HH12 ARG 52 49.317 -1.748 11.709 401 1HH2 ARG 52 HH21 ARG 52 46.572 -2.457 9.713 402 2HH2 ARG 52 HH22 ARG 52 47.110 -2.010 11.297 403 H TYR 53 HN TYR 53 50.799 0.403 3.577 404 HA TYR 53 HA TYR 53 51.490 -2.283 2.965 405 1HB TYR 53 HB1 TYR 53 52.211 0.158 1.325 406 2HB TYR 53 HB2 TYR 53 50.553 -0.426 1.477 407 HD1 TYR 53 HD1 TYR 53 53.450 -0.624 -0.488 408 HD2 TYR 53 HD2 TYR 53 50.337 -3.091 1.147 409 HE1 TYR 53 HE1 TYR 53 53.894 -2.335 -2.224 410 HE2 TYR 53 HE2 TYR 53 50.780 -4.803 -0.590 411 HH TYR 53 HH TYR 53 52.455 -4.230 -3.348 412 H LEU 54 HN LEU 54 53.571 0.585 3.375 413 HA LEU 54 HA LEU 54 56.010 -1.008 2.878 414 1HB LEU 54 HB1 LEU 54 56.981 1.319 3.580 415 2HB LEU 54 HB2 LEU 54 55.304 1.854 3.464 416 HG LEU 54 HG LEU 54 55.217 0.958 1.136 417 1HD1 LEU 54 HD11 LEU 54 55.900 3.342 1.713 418 2HD1 LEU 54 HD12 LEU 54 56.440 2.762 0.137 419 3HD1 LEU 54 HD13 LEU 54 57.572 2.827 1.488 420 1HD2 LEU 54 HD21 LEU 54 57.740 0.664 0.250 421 2HD2 LEU 54 HD22 LEU 54 56.799 -0.698 0.857 422 3HD2 LEU 54 HD23 LEU 54 57.971 0.099 1.905 423 H LYS 55 HN LYS 55 54.090 0.028 5.611 424 HA LYS 55 HA LYS 55 56.037 0.044 7.688 425 1HB LYS 55 HB1 LYS 55 53.821 -0.896 8.918 426 2HB LYS 55 HB2 LYS 55 53.107 -0.373 7.394 427 1HG LYS 55 HG1 LYS 55 52.993 1.581 8.684 428 2HG LYS 55 HG2 LYS 55 54.502 1.809 7.800 429 1HD LYS 55 HD1 LYS 55 55.360 2.183 9.884 430 2HD LYS 55 HD2 LYS 55 55.404 0.422 9.964 431 1HE LYS 55 HE1 LYS 55 53.376 0.328 11.219 432 2HE LYS 55 HE2 LYS 55 52.966 2.009 10.823 433 1HZ LYS 55 HZ1 LYS 55 55.408 1.173 12.310 434 2HZ LYS 55 HZ2 LYS 55 53.985 1.718 13.063 435 3HZ LYS 55 HZ3 LYS 55 54.867 2.760 12.053 436 H HIS 56 HN HIS 56 53.981 -2.670 6.541 437 HA HIS 56 HA HIS 56 56.110 -4.598 6.979 438 1HB HIS 56 HB1 HIS 56 55.493 -4.136 9.296 439 2HB HIS 56 HB2 HIS 56 54.983 -5.761 8.862 440 HD1 HIS 56 HD1 HIS 56 53.407 -5.051 11.082 441 HD2 HIS 56 HD2 HIS 56 52.394 -3.508 7.347 442 HE1 HIS 56 HE1 HIS 56 50.983 -4.342 11.232 443 H LEU 57 HN LEU 57 54.595 -4.184 4.687 444 HA LEU 57 HA LEU 57 52.890 -6.662 4.634 445 1HB LEU 57 HB1 LEU 57 51.538 -5.431 2.893 446 2HB LEU 57 HB2 LEU 57 52.486 -3.991 3.251 447 HG LEU 57 HG LEU 57 51.742 -4.083 5.597 448 1HD1 LEU 57 HD11 LEU 57 49.134 -3.960 4.938 449 2HD1 LEU 57 HD12 LEU 57 49.838 -3.898 3.322 450 3HD1 LEU 57 HD13 LEU 57 50.277 -2.683 4.523 451 1HD2 LEU 57 HD21 LEU 57 51.379 -6.401 6.005 452 2HD2 LEU 57 HD22 LEU 57 50.303 -6.555 4.616 453 3HD2 LEU 57 HD23 LEU 57 49.770 -5.682 6.054 454 H ARG 58 HN ARG 58 54.081 -4.409 2.127 455 HA ARG 58 HA ARG 58 55.272 -4.833 0.129 456 1HB ARG 58 HB1 ARG 58 57.245 -6.346 0.522 457 2HB ARG 58 HB2 ARG 58 56.548 -6.771 2.086 458 1HG ARG 58 HG1 ARG 58 56.903 -4.639 2.969 459 2HG ARG 58 HG2 ARG 58 56.933 -3.877 1.378 460 1HD ARG 58 HD1 ARG 58 59.066 -5.884 2.070 461 2HD ARG 58 HD2 ARG 58 59.201 -4.224 2.681 462 HE ARG 58 HE ARG 58 58.621 -4.641 -0.214 463 1HH1 ARG 58 HH11 ARG 58 61.202 -5.050 -0.674 464 2HH1 ARG 58 HH12 ARG 58 62.072 -3.581 -0.386 465 1HH2 ARG 58 HH21 ARG 58 59.525 -2.126 1.462 466 2HH2 ARG 58 HH22 ARG 58 61.122 -1.925 0.824 467 H GLY 59 HN GLY 59 53.030 -5.860 -0.502 468 1HA GLY 59 HA1 GLY 59 53.596 -8.434 -1.777 469 2HA GLY 59 HA2 GLY 59 52.122 -7.485 -1.967 Start of MODEL 10 1 1H GLY 1 HT1 GLY 1 43.180 11.515 12.328 2 2H GLY 1 HT2 GLY 1 43.479 12.237 13.837 3 3H GLY 1 HT3 GLY 1 42.278 11.046 13.685 4 1HA GLY 1 HA1 GLY 1 44.013 9.871 14.628 5 2HA GLY 1 HA2 GLY 1 45.210 10.737 13.663 6 H ARG 2 HN ARG 2 44.093 7.775 13.981 7 HA ARG 2 HA ARG 2 44.245 7.180 11.046 8 1HB ARG 2 HB1 ARG 2 44.851 4.858 12.126 9 2HB ARG 2 HB2 ARG 2 45.109 5.815 13.584 10 1HG ARG 2 HG1 ARG 2 46.840 7.076 12.585 11 2HG ARG 2 HG2 ARG 2 46.352 6.615 10.954 12 1HD ARG 2 HD1 ARG 2 46.970 4.219 11.565 13 2HD ARG 2 HD2 ARG 2 47.695 4.873 13.049 14 HE ARG 2 HE ARG 2 48.552 6.288 10.637 15 1HH1 ARG 2 HH11 ARG 2 50.132 5.588 13.193 16 2HH1 ARG 2 HH12 ARG 2 51.315 4.500 12.546 17 1HH2 ARG 2 HH21 ARG 2 49.616 4.005 9.564 18 2HH2 ARG 2 HH22 ARG 2 51.022 3.605 10.492 19 H ILE 3 HN ILE 3 43.218 4.696 10.908 20 HA ILE 3 HA ILE 3 40.482 4.843 12.130 21 HB ILE 3 HB ILE 3 41.265 4.120 9.283 22 1HG1 ILE 3 HG11 ILE 3 41.422 6.555 9.837 23 2HG1 ILE 3 HG12 ILE 3 39.736 6.517 10.355 24 1HG2 ILE 3 HG21 ILE 3 39.330 2.848 9.810 25 2HG2 ILE 3 HG22 ILE 3 38.707 4.290 9.007 26 3HG2 ILE 3 HG23 ILE 3 38.631 4.158 10.763 27 1HD1 ILE 3 HD11 ILE 3 40.226 5.377 7.673 28 2HD1 ILE 3 HD12 ILE 3 40.553 7.105 7.808 29 3HD1 ILE 3 HD13 ILE 3 38.957 6.475 8.216 30 H ALA 4 HN ALA 4 39.381 2.633 11.984 31 HA ALA 4 HA ALA 4 40.927 0.612 13.236 32 1HB ALA 4 HB1 ALA 4 38.933 -0.738 12.928 33 2HB ALA 4 HB2 ALA 4 38.405 0.277 11.586 34 3HB ALA 4 HB3 ALA 4 38.426 0.924 13.227 35 H PHE 5 HN PHE 5 41.572 -1.484 12.430 36 HA PHE 5 HA PHE 5 41.876 -1.772 9.481 37 1HB PHE 5 HB1 PHE 5 44.332 -2.573 10.478 38 2HB PHE 5 HB2 PHE 5 43.944 -1.188 11.498 39 HD1 PHE 5 HD1 PHE 5 43.579 -2.140 7.886 40 HD2 PHE 5 HD2 PHE 5 44.744 0.866 10.724 41 HE1 PHE 5 HE1 PHE 5 44.197 -0.627 6.024 42 HE2 PHE 5 HE2 PHE 5 45.363 2.384 8.858 43 HZ PHE 5 HZ PHE 5 45.089 1.634 6.508 44 H THR 6 HN THR 6 40.213 -3.452 9.966 45 HA THR 6 HA THR 6 40.933 -5.739 11.653 46 HB THR 6 HB THR 6 38.782 -6.609 10.553 47 HG1 THR 6 HG1 THR 6 38.158 -5.551 8.875 48 1HG2 THR 6 HG21 THR 6 37.653 -5.567 12.216 49 2HG2 THR 6 HG22 THR 6 38.014 -3.967 11.569 50 3HG2 THR 6 HG23 THR 6 39.188 -4.787 12.598 51 H ASP 7 HN ASP 7 40.628 -8.000 10.498 52 HA ASP 7 HA ASP 7 42.808 -8.426 8.702 53 1HB ASP 7 HB1 ASP 7 41.549 -10.672 8.407 54 2HB ASP 7 HB2 ASP 7 40.361 -10.001 9.525 55 H ALA 8 HN ALA 8 39.303 -8.137 8.097 56 HA ALA 8 HA ALA 8 39.265 -8.734 5.322 57 1HB ALA 8 HB1 ALA 8 37.632 -6.808 7.009 58 2HB ALA 8 HB2 ALA 8 37.266 -8.505 6.695 59 3HB ALA 8 HB3 ALA 8 37.179 -7.326 5.386 60 H ASP 9 HN ASP 9 40.196 -5.785 7.019 61 HA ASP 9 HA ASP 9 40.213 -4.031 4.717 62 1HB ASP 9 HB1 ASP 9 41.644 -2.651 6.292 63 2HB ASP 9 HB2 ASP 9 41.589 -4.007 7.419 64 H ASP 10 HN ASP 10 42.874 -5.693 6.469 65 HA ASP 10 HA ASP 10 44.998 -4.932 4.741 66 1HB ASP 10 HB1 ASP 10 45.776 -7.362 5.646 67 2HB ASP 10 HB2 ASP 10 44.412 -7.072 6.726 68 H VAL 11 HN VAL 11 42.657 -7.589 4.483 69 HA VAL 11 HA VAL 11 43.962 -8.834 2.185 70 HB VAL 11 HB VAL 11 41.198 -9.073 3.428 71 1HG1 VAL 11 HG11 VAL 11 42.546 -10.521 1.166 72 2HG1 VAL 11 HG12 VAL 11 40.865 -10.009 1.315 73 3HG1 VAL 11 HG13 VAL 11 41.444 -11.407 2.221 74 1HG2 VAL 11 HG21 VAL 11 42.444 -11.364 4.042 75 2HG2 VAL 11 HG22 VAL 11 42.595 -9.930 5.055 76 3HG2 VAL 11 HG23 VAL 11 43.865 -10.330 3.902 77 H ALA 12 HN ALA 12 41.406 -6.443 2.703 78 HA ALA 12 HA ALA 12 40.427 -6.384 -0.024 79 1HB ALA 12 HB1 ALA 12 39.318 -5.554 2.120 80 2HB ALA 12 HB2 ALA 12 39.235 -4.440 0.756 81 3HB ALA 12 HB3 ALA 12 40.406 -4.168 2.047 82 H ILE 13 HN ILE 13 42.810 -4.448 1.791 83 HA ILE 13 HA ILE 13 43.475 -2.675 -0.404 84 HB ILE 13 HB ILE 13 44.981 -3.493 2.107 85 1HG1 ILE 13 HG11 ILE 13 43.984 -1.464 3.090 86 2HG1 ILE 13 HG12 ILE 13 42.725 -2.572 2.550 87 1HG2 ILE 13 HG21 ILE 13 45.522 -1.519 -0.041 88 2HG2 ILE 13 HG22 ILE 13 46.642 -2.339 1.046 89 3HG2 ILE 13 HG23 ILE 13 45.736 -0.936 1.609 90 1HD1 ILE 13 HD11 ILE 13 42.257 -0.207 1.908 91 2HD1 ILE 13 HD12 ILE 13 42.404 -1.269 0.508 92 3HD1 ILE 13 HD13 ILE 13 43.736 -0.202 0.949 93 H LEU 14 HN LEU 14 44.715 -5.777 0.758 94 HA LEU 14 HA LEU 14 47.111 -5.876 -0.830 95 1HB LEU 14 HB1 LEU 14 45.278 -8.002 0.330 96 2HB LEU 14 HB2 LEU 14 46.708 -7.314 1.094 97 HG LEU 14 HG LEU 14 46.699 -8.946 -1.465 98 1HD1 LEU 14 HD11 LEU 14 48.504 -7.281 -1.413 99 2HD1 LEU 14 HD12 LEU 14 49.167 -8.898 -1.172 100 3HD1 LEU 14 HD13 LEU 14 48.969 -7.813 0.203 101 1HD2 LEU 14 HD21 LEU 14 46.993 -9.616 1.413 102 2HD2 LEU 14 HD22 LEU 14 48.194 -10.338 0.341 103 3HD2 LEU 14 HD23 LEU 14 46.477 -10.634 0.067 104 H THR 15 HN THR 15 43.991 -7.584 -1.380 105 HA THR 15 HA THR 15 44.468 -8.547 -3.980 106 HB THR 15 HB THR 15 41.817 -7.400 -3.094 107 HG1 THR 15 HG1 THR 15 41.589 -9.308 -1.858 108 1HG2 THR 15 HG21 THR 15 40.888 -9.012 -4.456 109 2HG2 THR 15 HG22 THR 15 42.231 -10.131 -4.227 110 3HG2 THR 15 HG23 THR 15 42.408 -8.752 -5.312 111 H TYR 16 HN TYR 16 43.466 -5.305 -2.969 112 HA TYR 16 HA TYR 16 42.931 -4.317 -5.661 113 1HB TYR 16 HB1 TYR 16 43.506 -2.897 -3.038 114 2HB TYR 16 HB2 TYR 16 41.914 -3.438 -3.567 115 HD1 TYR 16 HD1 TYR 16 44.771 -1.224 -4.505 116 HD2 TYR 16 HD2 TYR 16 40.598 -2.102 -5.010 117 HE1 TYR 16 HE1 TYR 16 44.482 0.883 -5.778 118 HE2 TYR 16 HE2 TYR 16 40.308 0.006 -6.284 119 HH TYR 16 HH TYR 16 42.467 2.483 -6.254 120 H VAL 17 HN VAL 17 45.531 -3.662 -3.290 121 HA VAL 17 HA VAL 17 47.215 -2.135 -5.025 122 HB VAL 17 HB VAL 17 47.818 -3.901 -2.624 123 1HG1 VAL 17 HG11 VAL 17 49.868 -2.682 -2.370 124 2HG1 VAL 17 HG12 VAL 17 49.430 -1.555 -3.654 125 3HG1 VAL 17 HG13 VAL 17 49.818 -3.231 -4.045 126 1HG2 VAL 17 HG21 VAL 17 47.237 -2.110 -1.285 127 2HG2 VAL 17 HG22 VAL 17 46.137 -1.823 -2.633 128 3HG2 VAL 17 HG23 VAL 17 47.646 -0.919 -2.519 129 H LYS 18 HN LYS 18 47.163 -5.632 -4.288 130 HA LYS 18 HA LYS 18 49.465 -6.433 -5.745 131 1HB LYS 18 HB1 LYS 18 46.916 -8.036 -5.632 132 2HB LYS 18 HB2 LYS 18 47.810 -7.681 -4.153 133 1HG LYS 18 HG1 LYS 18 49.732 -8.846 -4.906 134 2HG LYS 18 HG2 LYS 18 49.169 -8.859 -6.578 135 1HD LYS 18 HD1 LYS 18 47.918 -10.726 -6.251 136 2HD LYS 18 HD2 LYS 18 47.287 -10.137 -4.713 137 1HE LYS 18 HE1 LYS 18 49.416 -10.787 -3.606 138 2HE LYS 18 HE2 LYS 18 50.010 -11.420 -5.154 139 1HZ LYS 18 HZ1 LYS 18 48.961 -13.190 -3.910 140 2HZ LYS 18 HZ2 LYS 18 47.982 -12.808 -5.246 141 3HZ LYS 18 HZ3 LYS 18 47.554 -12.266 -3.693 142 H GLU 19 HN GLU 19 46.121 -5.899 -6.838 143 HA GLU 19 HA GLU 19 46.543 -6.855 -9.548 144 1HB GLU 19 HB1 GLU 19 44.398 -5.138 -9.630 145 2HB GLU 19 HB2 GLU 19 44.471 -5.524 -7.910 146 1HG GLU 19 HG1 GLU 19 43.152 -7.275 -8.682 147 2HG GLU 19 HG2 GLU 19 44.754 -8.001 -8.819 148 H ASN 20 HN ASN 20 46.012 -3.532 -8.305 149 HA ASN 20 HA ASN 20 46.999 -2.311 -10.769 150 1HB ASN 20 HB1 ASN 20 46.594 -0.233 -9.468 151 2HB ASN 20 HB2 ASN 20 46.349 -1.205 -8.020 152 1HD2 ASN 20 HD21 ASN 20 44.156 -0.022 -8.157 153 2HD2 ASN 20 HD22 ASN 20 42.935 -0.767 -9.072 154 H ALA 21 HN ALA 21 48.108 -1.933 -7.383 155 HA ALA 21 HA ALA 21 50.628 -0.785 -7.988 156 1HB ALA 21 HB1 ALA 21 50.829 -2.326 -5.597 157 2HB ALA 21 HB2 ALA 21 49.161 -1.767 -5.717 158 3HB ALA 21 HB3 ALA 21 50.483 -0.604 -5.746 159 H ARG 22 HN ARG 22 52.244 -1.684 -9.140 160 HA ARG 22 HA ARG 22 53.283 -4.349 -8.480 161 1HB ARG 22 HB1 ARG 22 52.918 -4.521 -11.265 162 2HB ARG 22 HB2 ARG 22 51.400 -3.862 -10.659 163 1HG ARG 22 HG1 ARG 22 51.223 -6.273 -10.624 164 2HG ARG 22 HG2 ARG 22 51.372 -5.726 -8.954 165 1HD ARG 22 HD1 ARG 22 52.983 -7.412 -8.955 166 2HD ARG 22 HD2 ARG 22 53.990 -6.059 -9.505 167 HE ARG 22 HE ARG 22 52.652 -7.261 -11.755 168 1HH1 ARG 22 HH11 ARG 22 55.662 -6.570 -11.142 169 2HH1 ARG 22 HH12 ARG 22 56.372 -8.122 -11.433 170 1HH2 ARG 22 HH21 ARG 22 53.342 -9.808 -11.402 171 2HH2 ARG 22 HH22 ARG 22 55.058 -9.956 -11.580 172 H SER 23 HN SER 23 53.292 -1.654 -10.820 173 HA SER 23 HA SER 23 56.134 -2.049 -11.473 174 1HB SER 23 HB1 SER 23 54.065 -1.220 -12.897 175 2HB SER 23 HB2 SER 23 55.657 -0.528 -13.186 176 HG SER 23 HG SER 23 53.788 0.956 -12.852 177 HA PRO 24 HA PRO 24 57.725 0.896 -8.599 178 1HB PRO 24 HB1 PRO 24 59.822 0.616 -9.539 179 2HB PRO 24 HB2 PRO 24 59.579 2.303 -10.036 180 1HG PRO 24 HG1 PRO 24 60.056 0.311 -11.790 181 2HG PRO 24 HG2 PRO 24 59.061 1.720 -12.185 182 1HD PRO 24 HD1 PRO 24 58.264 -1.081 -11.714 183 2HD PRO 24 HD2 PRO 24 57.425 0.202 -12.613 184 H SER 25 HN SER 25 55.338 1.861 -9.116 185 HA SER 25 HA SER 25 55.719 4.781 -9.376 186 1HB SER 25 HB1 SER 25 55.440 3.815 -11.683 187 2HB SER 25 HB2 SER 25 54.179 4.963 -11.246 188 HG SER 25 HG SER 25 53.105 3.235 -12.023 189 H SER 26 HN SER 26 53.175 2.244 -9.327 190 HA SER 26 HA SER 26 51.195 3.794 -7.969 191 1HB SER 26 HB1 SER 26 50.785 1.128 -7.270 192 2HB SER 26 HB2 SER 26 51.715 1.022 -8.760 193 HG SER 26 HG SER 26 50.080 1.728 -9.838 194 H VAL 27 HN VAL 27 52.860 1.001 -6.488 195 HA VAL 27 HA VAL 27 52.351 1.743 -3.796 196 HB VAL 27 HB VAL 27 54.150 0.085 -3.311 197 1HG1 VAL 27 HG11 VAL 27 52.968 -1.747 -4.155 198 2HG1 VAL 27 HG12 VAL 27 52.618 -0.943 -5.685 199 3HG1 VAL 27 HG13 VAL 27 51.759 -0.465 -4.220 200 1HG2 VAL 27 HG21 VAL 27 55.576 0.926 -5.291 201 2HG2 VAL 27 HG22 VAL 27 54.550 -0.088 -6.305 202 3HG2 VAL 27 HG23 VAL 27 55.527 -0.818 -5.030 203 H THR 28 HN THR 28 54.821 2.866 -6.011 204 HA THR 28 HA THR 28 56.509 4.020 -3.886 205 HB THR 28 HB THR 28 56.615 4.430 -6.885 206 HG1 THR 28 HG1 THR 28 57.798 2.372 -5.336 207 1HG2 THR 28 HG21 THR 28 58.826 5.077 -6.552 208 2HG2 THR 28 HG22 THR 28 58.956 4.212 -5.022 209 3HG2 THR 28 HG23 THR 28 58.055 5.726 -5.106 210 H GLY 29 HN GLY 29 53.889 5.047 -5.971 211 1HA GLY 29 HA1 GLY 29 53.403 7.374 -6.590 212 2HA GLY 29 HA2 GLY 29 54.388 7.893 -5.220 213 H ASN 30 HN ASN 30 51.763 8.827 -5.574 214 HA ASN 30 HA ASN 30 50.245 7.384 -3.425 215 1HB ASN 30 HB1 ASN 30 49.668 9.654 -2.581 216 2HB ASN 30 HB2 ASN 30 50.676 10.360 -3.847 217 1HD2 ASN 30 HD21 ASN 30 52.290 11.243 -2.411 218 2HD2 ASN 30 HD22 ASN 30 53.313 10.261 -1.477 219 H ALA 31 HN ALA 31 49.987 7.364 -6.424 220 HA ALA 31 HA ALA 31 47.488 8.868 -6.939 221 1HB ALA 31 HB1 ALA 31 49.677 7.621 -8.426 222 2HB ALA 31 HB2 ALA 31 48.588 8.915 -8.923 223 3HB ALA 31 HB3 ALA 31 48.105 7.231 -9.121 224 H LEU 32 HN LEU 32 48.583 5.459 -7.126 225 HA LEU 32 HA LEU 32 46.045 4.258 -7.596 226 1HB LEU 32 HB1 LEU 32 47.942 2.791 -5.859 227 2HB LEU 32 HB2 LEU 32 48.675 3.467 -7.317 228 HG LEU 32 HG LEU 32 46.108 1.869 -7.379 229 1HD1 LEU 32 HD11 LEU 32 47.891 3.181 -9.331 230 2HD1 LEU 32 HD12 LEU 32 46.195 2.724 -9.485 231 3HD1 LEU 32 HD13 LEU 32 47.459 1.525 -9.754 232 1HD2 LEU 32 HD21 LEU 32 48.843 0.954 -6.910 233 2HD2 LEU 32 HD22 LEU 32 48.179 0.273 -8.392 234 3HD2 LEU 32 HD23 LEU 32 47.336 0.040 -6.860 235 H TRP 33 HN TRP 33 47.649 5.243 -4.613 236 HA TRP 33 HA TRP 33 45.687 4.059 -2.810 237 1HB TRP 33 HB1 TRP 33 46.997 5.221 -1.116 238 2HB TRP 33 HB2 TRP 33 47.686 6.300 -2.327 239 HD1 TRP 33 HD1 TRP 33 49.744 5.494 -3.654 240 HE1 TRP 33 HE1 TRP 33 51.191 3.366 -3.630 241 HE3 TRP 33 HE3 TRP 33 46.869 2.509 -0.669 242 HZ2 TRP 33 HZ2 TRP 33 51.137 0.750 -2.504 243 HZ3 TRP 33 HZ3 TRP 33 47.597 0.199 -0.137 244 HH2 TRP 33 HH2 TRP 33 49.729 -0.683 -1.048 245 H LYS 34 HN LYS 34 46.334 7.321 -4.087 246 HA LYS 34 HA LYS 34 44.323 8.774 -2.696 247 1HB LYS 34 HB1 LYS 34 44.477 10.021 -5.103 248 2HB LYS 34 HB2 LYS 34 45.911 9.001 -5.201 249 1HG LYS 34 HG1 LYS 34 46.724 9.905 -3.076 250 2HG LYS 34 HG2 LYS 34 45.261 10.872 -2.905 251 1HD LYS 34 HD1 LYS 34 45.818 12.146 -4.903 252 2HD LYS 34 HD2 LYS 34 47.210 11.107 -5.217 253 1HE LYS 34 HE1 LYS 34 48.293 11.879 -3.157 254 2HE LYS 34 HE2 LYS 34 46.862 12.844 -2.742 255 1HZ LYS 34 HZ1 LYS 34 48.603 13.131 -5.139 256 2HZ LYS 34 HZ2 LYS 34 48.429 14.247 -3.869 257 3HZ LYS 34 HZ3 LYS 34 47.137 13.956 -4.933 258 H ALA 35 HN ALA 35 44.163 6.918 -5.731 259 HA ALA 35 HA ALA 35 41.504 7.583 -6.516 260 1HB ALA 35 HB1 ALA 35 42.877 6.453 -8.073 261 2HB ALA 35 HB2 ALA 35 41.722 5.212 -7.585 262 3HB ALA 35 HB3 ALA 35 43.346 5.224 -6.899 263 H MET 36 HN MET 36 42.726 4.930 -4.457 264 HA MET 36 HA MET 36 40.243 3.637 -3.927 265 1HB MET 36 HB1 MET 36 41.720 3.316 -1.635 266 2HB MET 36 HB2 MET 36 42.964 3.820 -2.778 267 1HG MET 36 HG1 MET 36 42.923 1.821 -3.829 268 2HG MET 36 HG2 MET 36 41.170 1.864 -3.984 269 1HE MET 36 HE1 MET 36 43.704 -0.806 -2.037 270 2HE MET 36 HE2 MET 36 43.986 0.527 -0.921 271 3HE MET 36 HE3 MET 36 44.152 0.790 -2.654 272 H GLU 37 HN GLU 37 41.863 6.326 -2.216 273 HA GLU 37 HA GLU 37 40.131 6.649 -0.017 274 1HB GLU 37 HB1 GLU 37 41.418 8.822 -1.699 275 2HB GLU 37 HB2 GLU 37 42.280 7.847 -0.507 276 1HG GLU 37 HG1 GLU 37 41.375 8.981 1.252 277 2HG GLU 37 HG2 GLU 37 39.788 9.089 0.492 278 H LYS 38 HN LYS 38 39.718 7.781 -3.361 279 HA LYS 38 HA LYS 38 37.128 9.054 -2.664 280 1HB LYS 38 HB1 LYS 38 38.787 10.218 -4.075 281 2HB LYS 38 HB2 LYS 38 37.294 9.927 -4.965 282 1HG LYS 38 HG1 LYS 38 38.415 7.790 -5.844 283 2HG LYS 38 HG2 LYS 38 39.921 8.443 -5.198 284 1HD LYS 38 HD1 LYS 38 40.139 9.593 -7.127 285 2HD LYS 38 HD2 LYS 38 38.775 10.583 -6.614 286 1HE LYS 38 HE1 LYS 38 38.163 9.733 -8.771 287 2HE LYS 38 HE2 LYS 38 37.289 8.705 -7.618 288 1HZ LYS 38 HZ1 LYS 38 38.466 7.310 -9.168 289 2HZ LYS 38 HZ2 LYS 38 39.243 7.199 -7.660 290 3HZ LYS 38 HZ3 LYS 38 39.919 8.145 -8.900 291 H SER 39 HN SER 39 38.177 5.970 -3.638 292 HA SER 39 HA SER 39 35.453 5.088 -4.180 293 1HB SER 39 HB1 SER 39 37.489 5.108 -6.430 294 2HB SER 39 HB2 SER 39 36.138 6.229 -6.296 295 HG SER 39 HG SER 39 34.761 4.340 -6.238 296 H SER 40 HN SER 40 36.793 3.994 -2.240 297 HA SER 40 HA SER 40 38.301 1.623 -3.270 298 1HB SER 40 HB1 SER 40 38.146 3.118 -0.649 299 2HB SER 40 HB2 SER 40 39.557 2.851 -1.667 300 HG SER 40 HG SER 40 39.844 1.319 -0.225 301 H LEU 41 HN LEU 41 37.896 -0.391 -1.813 302 HA LEU 41 HA LEU 41 35.092 -1.105 -1.949 303 1HB LEU 41 HB1 LEU 41 37.033 -2.649 -0.288 304 2HB LEU 41 HB2 LEU 41 37.431 -2.443 -1.994 305 HG LEU 41 HG LEU 41 34.886 -3.136 -2.315 306 1HD1 LEU 41 HD11 LEU 41 36.331 -4.581 -3.368 307 2HD1 LEU 41 HD12 LEU 41 35.849 -5.635 -2.039 308 3HD1 LEU 41 HD13 LEU 41 37.368 -4.742 -1.951 309 1HD2 LEU 41 HD21 LEU 41 35.660 -4.225 0.402 310 2HD2 LEU 41 HD22 LEU 41 34.377 -4.937 -0.577 311 3HD2 LEU 41 HD23 LEU 41 34.236 -3.273 -0.012 312 H THR 42 HN THR 42 37.287 -0.144 0.668 313 HA THR 42 HA THR 42 34.960 -0.137 2.564 314 HB THR 42 HB THR 42 37.793 -0.025 3.515 315 HG1 THR 42 HG1 THR 42 38.071 -1.616 2.047 316 1HG2 THR 42 HG21 THR 42 35.800 -1.979 4.521 317 2HG2 THR 42 HG22 THR 42 35.407 -0.277 4.754 318 3HG2 THR 42 HG23 THR 42 36.904 -0.934 5.414 319 H GLN 43 HN GLN 43 36.438 1.490 4.499 320 HA GLN 43 HA GLN 43 36.540 4.107 3.034 321 1HB GLN 43 HB1 GLN 43 35.728 4.788 5.520 322 2HB GLN 43 HB2 GLN 43 35.087 3.146 5.448 323 1HG GLN 43 HG1 GLN 43 33.941 3.694 3.326 324 2HG GLN 43 HG2 GLN 43 34.585 5.334 3.404 325 1HE2 GLN 43 HE21 GLN 43 32.547 3.035 5.289 326 2HE2 GLN 43 HE22 GLN 43 31.594 4.240 6.011 327 H HIS 44 HN HIS 44 38.746 4.500 2.990 328 HA HIS 44 HA HIS 44 40.110 4.867 5.599 329 1HB HIS 44 HB1 HIS 44 42.012 3.511 4.062 330 2HB HIS 44 HB2 HIS 44 40.510 2.649 3.716 331 HD1 HIS 44 HD1 HIS 44 42.744 3.646 6.596 332 HD2 HIS 44 HD2 HIS 44 39.487 1.150 5.864 333 HE1 HIS 44 HE1 HIS 44 42.416 2.272 8.693 334 H SER 45 HN SER 45 42.124 6.111 5.348 335 HA SER 45 HA SER 45 41.939 8.061 3.141 336 1HB SER 45 HB1 SER 45 42.534 9.182 5.056 337 2HB SER 45 HB2 SER 45 44.157 8.759 4.527 338 HG SER 45 HG SER 45 44.355 7.592 6.229 339 H TRP 46 HN TRP 46 43.445 8.264 1.468 340 HA TRP 46 HA TRP 46 44.728 6.035 0.377 341 1HB TRP 46 HB1 TRP 46 44.191 8.391 -0.553 342 2HB TRP 46 HB2 TRP 46 45.651 7.609 -1.147 343 HD1 TRP 46 HD1 TRP 46 44.469 10.680 0.629 344 HE1 TRP 46 HE1 TRP 46 46.502 12.128 1.291 345 HE3 TRP 46 HE3 TRP 46 48.232 7.369 -0.289 346 HZ2 TRP 46 HZ2 TRP 46 49.357 11.899 1.418 347 HZ3 TRP 46 HZ3 TRP 46 50.599 7.998 0.108 348 HH2 TRP 46 HH2 TRP 46 51.164 10.254 0.964 349 H GLN 47 HN GLN 47 46.085 8.375 2.687 350 HA GLN 47 HA GLN 47 48.803 7.405 2.590 351 1HB GLN 47 HB1 GLN 47 47.575 8.675 5.018 352 2HB GLN 47 HB2 GLN 47 47.652 9.603 3.520 353 1HG GLN 47 HG1 GLN 47 50.075 9.272 3.406 354 2HG GLN 47 HG2 GLN 47 50.026 8.243 4.837 355 1HE2 GLN 47 HE21 GLN 47 49.764 9.283 6.921 356 2HE2 GLN 47 HE22 GLN 47 49.853 10.968 7.106 357 H SER 48 HN SER 48 46.085 6.765 4.827 358 HA SER 48 HA SER 48 47.392 5.040 6.653 359 1HB SER 48 HB1 SER 48 44.574 5.195 5.555 360 2HB SER 48 HB2 SER 48 45.174 5.837 7.081 361 HG SER 48 HG SER 48 44.639 4.014 7.920 362 H LEU 49 HN LEU 49 46.289 4.442 3.373 363 HA LEU 49 HA LEU 49 46.541 1.517 3.564 364 1HB LEU 49 HB1 LEU 49 45.879 1.616 1.216 365 2HB LEU 49 HB2 LEU 49 46.240 3.339 1.151 366 HG LEU 49 HG LEU 49 44.465 3.762 2.819 367 1HD1 LEU 49 HD11 LEU 49 43.775 2.274 0.287 368 2HD1 LEU 49 HD12 LEU 49 43.739 4.012 0.580 369 3HD1 LEU 49 HD13 LEU 49 42.522 2.969 1.316 370 1HD2 LEU 49 HD21 LEU 49 44.344 0.769 2.744 371 2HD2 LEU 49 HD22 LEU 49 42.844 1.660 3.006 372 3HD2 LEU 49 HD23 LEU 49 44.194 1.858 4.123 373 H LYS 50 HN LYS 50 48.435 4.262 2.396 374 HA LYS 50 HA LYS 50 50.452 2.711 1.002 375 1HB LYS 50 HB1 LYS 50 50.703 5.469 2.237 376 2HB LYS 50 HB2 LYS 50 49.817 5.174 0.741 377 1HG LYS 50 HG1 LYS 50 51.933 5.699 -0.085 378 2HG LYS 50 HG2 LYS 50 52.039 3.941 0.025 379 1HD LYS 50 HD1 LYS 50 53.562 4.020 1.721 380 2HD LYS 50 HD2 LYS 50 52.759 5.378 2.509 381 1HE LYS 50 HE1 LYS 50 54.014 6.065 -0.078 382 2HE LYS 50 HE2 LYS 50 55.158 5.574 1.188 383 1HZ LYS 50 HZ1 LYS 50 54.206 7.146 2.683 384 2HZ LYS 50 HZ2 LYS 50 52.925 7.491 1.623 385 3HZ LYS 50 HZ3 LYS 50 54.505 7.980 1.237 386 H ASP 51 HN ASP 51 50.291 4.198 4.245 387 HA ASP 51 HA ASP 51 52.930 3.400 5.082 388 1HB ASP 51 HB1 ASP 51 50.447 3.959 6.733 389 2HB ASP 51 HB2 ASP 51 51.488 5.210 6.053 390 H ARG 52 HN ARG 52 49.721 1.887 5.440 391 HA ARG 52 HA ARG 52 50.563 -0.256 7.161 392 1HB ARG 52 HB1 ARG 52 48.248 0.263 5.286 393 2HB ARG 52 HB2 ARG 52 48.258 0.299 7.044 394 1HG ARG 52 HG1 ARG 52 48.442 -2.160 5.282 395 2HG ARG 52 HG2 ARG 52 47.100 -1.709 6.324 396 1HD ARG 52 HD1 ARG 52 49.569 -1.817 7.864 397 2HD ARG 52 HD2 ARG 52 49.284 -3.354 7.025 398 HE ARG 52 HE ARG 52 46.892 -3.144 7.985 399 1HH1 ARG 52 HH11 ARG 52 47.819 -4.367 10.172 400 2HH1 ARG 52 HH12 ARG 52 47.980 -3.197 11.439 401 1HH2 ARG 52 HH21 ARG 52 47.894 -0.473 9.297 402 2HH2 ARG 52 HH22 ARG 52 48.023 -0.993 10.945 403 H TYR 53 HN TYR 53 50.529 0.102 3.622 404 HA TYR 53 HA TYR 53 50.993 -2.629 2.915 405 1HB TYR 53 HB1 TYR 53 52.138 -0.222 1.493 406 2HB TYR 53 HB2 TYR 53 50.410 -0.581 1.467 407 HD1 TYR 53 HD1 TYR 53 50.023 -3.304 1.140 408 HD2 TYR 53 HD2 TYR 53 53.289 -0.973 -0.390 409 HE1 TYR 53 HE1 TYR 53 50.409 -5.006 -0.619 410 HE2 TYR 53 HE2 TYR 53 53.676 -2.675 -2.151 411 HH TYR 53 HH TYR 53 52.244 -4.458 -3.333 412 H LEU 54 HN LEU 54 53.394 0.023 3.166 413 HA LEU 54 HA LEU 54 55.665 -1.779 3.055 414 1HB LEU 54 HB1 LEU 54 56.805 0.395 3.866 415 2HB LEU 54 HB2 LEU 54 55.196 1.113 3.775 416 HG LEU 54 HG LEU 54 55.335 -0.167 1.358 417 1HD1 LEU 54 HD11 LEU 54 55.852 2.601 2.320 418 2HD1 LEU 54 HD12 LEU 54 54.629 2.009 1.197 419 3HD1 LEU 54 HD13 LEU 54 56.288 2.247 0.649 420 1HD2 LEU 54 HD21 LEU 54 57.686 -0.822 1.749 421 2HD2 LEU 54 HD22 LEU 54 58.119 0.871 1.987 422 3HD2 LEU 54 HD23 LEU 54 57.563 0.316 0.407 423 H LYS 55 HN LYS 55 53.590 -0.654 5.628 424 HA LYS 55 HA LYS 55 55.277 -0.844 7.896 425 1HB LYS 55 HB1 LYS 55 52.838 -1.760 8.761 426 2HB LYS 55 HB2 LYS 55 52.399 -0.986 7.239 427 1HG LYS 55 HG1 LYS 55 52.335 0.906 8.522 428 2HG LYS 55 HG2 LYS 55 54.081 0.888 8.280 429 1HD LYS 55 HD1 LYS 55 54.492 0.006 10.409 430 2HD LYS 55 HD2 LYS 55 52.871 -0.675 10.547 431 1HE LYS 55 HE1 LYS 55 51.995 1.291 11.349 432 2HE LYS 55 HE2 LYS 55 52.988 2.282 10.262 433 1HZ LYS 55 HZ1 LYS 55 54.889 1.899 11.624 434 2HZ LYS 55 HZ2 LYS 55 54.074 0.743 12.565 435 3HZ LYS 55 HZ3 LYS 55 53.642 2.384 12.666 436 H HIS 56 HN HIS 56 53.245 -3.419 6.414 437 HA HIS 56 HA HIS 56 55.205 -5.471 6.983 438 1HB HIS 56 HB1 HIS 56 54.478 -5.089 9.263 439 2HB HIS 56 HB2 HIS 56 53.837 -6.635 8.728 440 HD1 HIS 56 HD1 HIS 56 52.234 -5.790 10.908 441 HD2 HIS 56 HD2 HIS 56 51.553 -4.130 7.148 442 HE1 HIS 56 HE1 HIS 56 49.881 -4.859 10.953 443 H LEU 57 HN LEU 57 53.780 -4.832 4.632 444 HA LEU 57 HA LEU 57 52.038 -7.263 4.345 445 1HB LEU 57 HB1 LEU 57 50.838 -5.844 2.595 446 2HB LEU 57 HB2 LEU 57 51.758 -4.470 3.204 447 HG LEU 57 HG LEU 57 50.851 -4.923 5.477 448 1HD1 LEU 57 HD11 LEU 57 48.434 -4.309 4.868 449 2HD1 LEU 57 HD12 LEU 57 48.946 -4.437 3.185 450 3HD1 LEU 57 HD13 LEU 57 49.699 -3.251 4.249 451 1HD2 LEU 57 HD21 LEU 57 50.325 -7.231 5.461 452 2HD2 LEU 57 HD22 LEU 57 49.421 -7.100 3.952 453 3HD2 LEU 57 HD23 LEU 57 48.749 -6.440 5.443 454 H ARG 58 HN ARG 58 53.269 -4.919 1.951 455 HA ARG 58 HA ARG 58 54.530 -5.265 -0.022 456 1HB ARG 58 HB1 ARG 58 56.382 -7.138 0.581 457 2HB ARG 58 HB2 ARG 58 55.786 -6.795 2.205 458 1HG ARG 58 HG1 ARG 58 56.959 -4.875 2.261 459 2HG ARG 58 HG2 ARG 58 56.136 -4.299 0.810 460 1HD ARG 58 HD1 ARG 58 57.799 -5.251 -0.624 461 2HD ARG 58 HD2 ARG 58 58.469 -6.238 0.689 462 HE ARG 58 HE ARG 58 58.980 -3.934 1.786 463 1HH1 ARG 58 HH11 ARG 58 60.940 -4.810 -0.350 464 2HH1 ARG 58 HH12 ARG 58 61.052 -3.382 -1.324 465 1HH2 ARG 58 HH21 ARG 58 58.185 -1.940 -0.005 466 2HH2 ARG 58 HH22 ARG 58 59.490 -1.754 -1.128 467 H GLY 59 HN GLY 59 52.104 -7.033 0.493 468 1HA GLY 59 HA1 GLY 59 51.170 -9.062 -0.302 469 2HA GLY 59 HA2 GLY 59 52.796 -9.616 -0.703 Start of MODEL 11 1 1H GLY 1 HT1 GLY 1 45.518 7.254 16.462 2 2H GLY 1 HT2 GLY 1 44.539 6.002 15.859 3 3H GLY 1 HT3 GLY 1 43.917 7.577 16.002 4 1HA GLY 1 HA1 GLY 1 46.217 6.924 14.254 5 2HA GLY 1 HA2 GLY 1 45.237 8.391 14.255 6 H ARG 2 HN ARG 2 42.984 8.187 13.553 7 HA ARG 2 HA ARG 2 41.298 7.414 12.092 8 1HB ARG 2 HB1 ARG 2 42.218 6.397 10.020 9 2HB ARG 2 HB2 ARG 2 43.768 6.174 10.832 10 1HG ARG 2 HG1 ARG 2 43.994 8.208 9.614 11 2HG ARG 2 HG2 ARG 2 43.703 8.705 11.282 12 1HD ARG 2 HD1 ARG 2 41.189 8.749 10.601 13 2HD ARG 2 HD2 ARG 2 41.799 8.763 8.934 14 HE ARG 2 HE ARG 2 43.101 10.815 9.575 15 1HH1 ARG 2 HH11 ARG 2 39.942 10.460 10.482 16 2HH1 ARG 2 HH12 ARG 2 39.956 11.657 11.734 17 1HH2 ARG 2 HH21 ARG 2 43.402 12.048 11.684 18 2HH2 ARG 2 HH22 ARG 2 41.918 12.557 12.415 19 H ILE 3 HN ILE 3 40.436 5.254 11.033 20 HA ILE 3 HA ILE 3 40.085 3.312 13.134 21 HB ILE 3 HB ILE 3 38.409 3.822 11.404 22 1HG1 ILE 3 HG11 ILE 3 38.448 1.561 12.479 23 2HG1 ILE 3 HG12 ILE 3 39.413 0.971 11.127 24 1HG2 ILE 3 HG21 ILE 3 39.764 2.278 9.285 25 2HG2 ILE 3 HG22 ILE 3 40.525 3.824 9.657 26 3HG2 ILE 3 HG23 ILE 3 38.831 3.770 9.173 27 1HD1 ILE 3 HD11 ILE 3 36.527 1.541 11.270 28 2HD1 ILE 3 HD12 ILE 3 37.409 0.479 10.173 29 3HD1 ILE 3 HD13 ILE 3 37.313 2.208 9.839 30 H ALA 4 HN ALA 4 40.687 0.982 12.936 31 HA ALA 4 HA ALA 4 43.492 0.705 12.031 32 1HB ALA 4 HB1 ALA 4 43.247 -0.175 14.153 33 2HB ALA 4 HB2 ALA 4 42.903 -1.628 13.214 34 3HB ALA 4 HB3 ALA 4 41.578 -0.665 13.868 35 H PHE 5 HN PHE 5 43.795 -1.844 11.331 36 HA PHE 5 HA PHE 5 42.062 -2.188 8.910 37 1HB PHE 5 HB1 PHE 5 44.133 -3.469 8.128 38 2HB PHE 5 HB2 PHE 5 44.934 -2.882 9.584 39 HD1 PHE 5 HD1 PHE 5 46.348 -1.087 9.152 40 HD2 PHE 5 HD2 PHE 5 42.617 -1.368 7.042 41 HE1 PHE 5 HE1 PHE 5 46.830 1.061 8.012 42 HE2 PHE 5 HE2 PHE 5 43.100 0.781 5.902 43 HZ PHE 5 HZ PHE 5 45.206 1.995 6.388 44 H THR 6 HN THR 6 40.488 -3.677 9.564 45 HA THR 6 HA THR 6 41.086 -5.899 11.372 46 HB THR 6 HB THR 6 38.708 -6.463 10.853 47 HG1 THR 6 HG1 THR 6 37.674 -5.446 9.269 48 1HG2 THR 6 HG21 THR 6 37.913 -4.756 12.152 49 2HG2 THR 6 HG22 THR 6 38.652 -3.510 11.147 50 3HG2 THR 6 HG23 THR 6 39.631 -4.394 12.317 51 H ASP 7 HN ASP 7 39.732 -8.024 10.173 52 HA ASP 7 HA ASP 7 41.758 -9.108 8.402 53 1HB ASP 7 HB1 ASP 7 40.148 -11.037 8.372 54 2HB ASP 7 HB2 ASP 7 38.989 -10.029 9.240 55 H ALA 8 HN ALA 8 38.488 -7.792 7.931 56 HA ALA 8 HA ALA 8 38.268 -8.518 5.132 57 1HB ALA 8 HB1 ALA 8 36.326 -7.015 5.228 58 2HB ALA 8 HB2 ALA 8 36.913 -6.328 6.742 59 3HB ALA 8 HB3 ALA 8 36.381 -8.009 6.684 60 H ASP 9 HN ASP 9 39.359 -5.599 6.853 61 HA ASP 9 HA ASP 9 39.680 -3.926 4.529 62 1HB ASP 9 HB1 ASP 9 41.157 -2.642 6.149 63 2HB ASP 9 HB2 ASP 9 40.926 -3.962 7.296 64 H ASP 10 HN ASP 10 41.758 -6.307 6.105 65 HA ASP 10 HA ASP 10 44.217 -5.608 4.753 66 1HB ASP 10 HB1 ASP 10 44.706 -8.072 5.442 67 2HB ASP 10 HB2 ASP 10 43.105 -8.027 6.181 68 H VAL 11 HN VAL 11 41.519 -7.783 3.990 69 HA VAL 11 HA VAL 11 42.783 -9.042 1.702 70 HB VAL 11 HB VAL 11 39.876 -8.697 2.524 71 1HG1 VAL 11 HG11 VAL 11 40.052 -11.075 1.161 72 2HG1 VAL 11 HG12 VAL 11 41.187 -10.071 0.259 73 3HG1 VAL 11 HG13 VAL 11 39.511 -9.556 0.446 74 1HG2 VAL 11 HG21 VAL 11 41.695 -9.893 4.038 75 2HG2 VAL 11 HG22 VAL 11 41.483 -11.206 2.881 76 3HG2 VAL 11 HG23 VAL 11 40.105 -10.622 3.812 77 H ALA 12 HN ALA 12 40.690 -6.208 2.153 78 HA ALA 12 HA ALA 12 40.192 -5.700 -0.650 79 1HB ALA 12 HB1 ALA 12 39.656 -3.382 0.329 80 2HB ALA 12 HB2 ALA 12 40.122 -4.054 1.892 81 3HB ALA 12 HB3 ALA 12 38.758 -4.739 1.009 82 H ILE 13 HN ILE 13 42.438 -4.144 1.672 83 HA ILE 13 HA ILE 13 43.787 -2.461 -0.188 84 HB ILE 13 HB ILE 13 44.724 -3.821 2.367 85 1HG1 ILE 13 HG11 ILE 13 42.638 -2.314 2.373 86 2HG1 ILE 13 HG12 ILE 13 43.733 -0.991 1.982 87 1HG2 ILE 13 HG21 ILE 13 46.680 -3.003 1.229 88 2HG2 ILE 13 HG22 ILE 13 46.279 -1.807 2.461 89 3HG2 ILE 13 HG23 ILE 13 45.864 -1.507 0.774 90 1HD1 ILE 13 HD11 ILE 13 44.377 -2.804 4.287 91 2HD1 ILE 13 HD12 ILE 13 43.177 -1.529 4.499 92 3HD1 ILE 13 HD13 ILE 13 44.829 -1.118 4.037 93 H LEU 14 HN LEU 14 44.702 -5.721 0.990 94 HA LEU 14 HA LEU 14 47.031 -6.062 -0.621 95 1HB LEU 14 HB1 LEU 14 44.990 -8.006 0.513 96 2HB LEU 14 HB2 LEU 14 46.489 -7.481 1.277 97 HG LEU 14 HG LEU 14 46.338 -9.021 -1.331 98 1HD1 LEU 14 HD11 LEU 14 48.595 -8.060 0.438 99 2HD1 LEU 14 HD12 LEU 14 48.359 -7.759 -1.283 100 3HD1 LEU 14 HD13 LEU 14 48.814 -9.369 -0.724 101 1HD2 LEU 14 HD21 LEU 14 45.690 -10.606 0.273 102 2HD2 LEU 14 HD22 LEU 14 46.670 -9.869 1.540 103 3HD2 LEU 14 HD23 LEU 14 47.443 -10.798 0.255 104 H THR 15 HN THR 15 43.755 -7.414 -1.215 105 HA THR 15 HA THR 15 44.195 -8.363 -3.848 106 HB THR 15 HB THR 15 41.683 -7.193 -2.602 107 HG1 THR 15 HG1 THR 15 42.777 -9.810 -2.595 108 1HG2 THR 15 HG21 THR 15 42.199 -8.369 -5.191 109 2HG2 THR 15 HG22 THR 15 40.689 -7.726 -4.546 110 3HG2 THR 15 HG23 THR 15 41.122 -9.411 -4.263 111 H TYR 16 HN TYR 16 42.931 -5.169 -2.816 112 HA TYR 16 HA TYR 16 42.538 -4.055 -5.413 113 1HB TYR 16 HB1 TYR 16 43.329 -2.760 -2.779 114 2HB TYR 16 HB2 TYR 16 41.683 -3.117 -3.296 115 HD1 TYR 16 HD1 TYR 16 40.729 -1.939 -5.318 116 HD2 TYR 16 HD2 TYR 16 44.487 -0.823 -3.558 117 HE1 TYR 16 HE1 TYR 16 40.639 0.239 -6.501 118 HE2 TYR 16 HE2 TYR 16 44.395 1.353 -4.741 119 HH TYR 16 HH TYR 16 43.107 2.129 -7.063 120 H VAL 17 HN VAL 17 45.331 -3.597 -3.200 121 HA VAL 17 HA VAL 17 47.011 -2.162 -4.987 122 HB VAL 17 HB VAL 17 47.547 -4.083 -2.695 123 1HG1 VAL 17 HG11 VAL 17 49.491 -2.133 -3.968 124 2HG1 VAL 17 HG12 VAL 17 49.564 -3.885 -4.149 125 3HG1 VAL 17 HG13 VAL 17 49.803 -3.152 -2.563 126 1HG2 VAL 17 HG21 VAL 17 46.285 -2.028 -2.162 127 2HG2 VAL 17 HG22 VAL 17 47.558 -1.056 -2.897 128 3HG2 VAL 17 HG23 VAL 17 47.892 -1.988 -1.438 129 H LYS 18 HN LYS 18 46.693 -5.680 -4.478 130 HA LYS 18 HA LYS 18 48.763 -6.517 -6.267 131 1HB LYS 18 HB1 LYS 18 46.151 -7.854 -5.482 132 2HB LYS 18 HB2 LYS 18 47.640 -7.904 -4.541 133 1HG LYS 18 HG1 LYS 18 47.963 -8.707 -7.364 134 2HG LYS 18 HG2 LYS 18 46.921 -9.773 -6.424 135 1HD LYS 18 HD1 LYS 18 49.542 -8.884 -5.261 136 2HD LYS 18 HD2 LYS 18 49.527 -10.179 -6.460 137 1HE LYS 18 HE1 LYS 18 48.084 -11.537 -5.084 138 2HE LYS 18 HE2 LYS 18 47.780 -10.187 -3.973 139 1HZ LYS 18 HZ1 LYS 18 50.458 -11.353 -4.555 140 2HZ LYS 18 HZ2 LYS 18 49.534 -11.723 -3.178 141 3HZ LYS 18 HZ3 LYS 18 50.112 -10.144 -3.416 142 H GLU 19 HN GLU 19 45.516 -5.348 -6.856 143 HA GLU 19 HA GLU 19 45.384 -6.412 -9.600 144 1HB GLU 19 HB1 GLU 19 43.265 -4.902 -9.486 145 2HB GLU 19 HB2 GLU 19 43.680 -4.713 -7.782 146 1HG GLU 19 HG1 GLU 19 42.429 -6.612 -7.541 147 2HG GLU 19 HG2 GLU 19 43.915 -7.413 -8.049 148 H ASN 20 HN ASN 20 46.036 -3.312 -7.990 149 HA ASN 20 HA ASN 20 46.379 -1.985 -10.645 150 1HB ASN 20 HB1 ASN 20 46.304 0.073 -9.310 151 2HB ASN 20 HB2 ASN 20 46.343 -0.868 -7.822 152 1HD2 ASN 20 HD21 ASN 20 44.277 -0.499 -6.975 153 2HD2 ASN 20 HD22 ASN 20 42.832 -0.816 -7.805 154 H ALA 21 HN ALA 21 48.068 -2.040 -7.475 155 HA ALA 21 HA ALA 21 50.509 -0.905 -8.182 156 1HB ALA 21 HB1 ALA 21 49.570 -1.832 -5.949 157 2HB ALA 21 HB2 ALA 21 51.312 -1.913 -6.201 158 3HB ALA 21 HB3 ALA 21 50.321 -3.353 -6.431 159 H ARG 22 HN ARG 22 51.421 -1.444 -10.169 160 HA ARG 22 HA ARG 22 52.318 -4.287 -10.509 161 1HB ARG 22 HB1 ARG 22 52.025 -2.815 -12.999 162 2HB ARG 22 HB2 ARG 22 50.527 -2.741 -12.073 163 1HG ARG 22 HG1 ARG 22 50.165 -5.010 -12.224 164 2HG ARG 22 HG2 ARG 22 51.888 -5.390 -12.239 165 1HD ARG 22 HD1 ARG 22 51.500 -3.948 -14.611 166 2HD ARG 22 HD2 ARG 22 50.069 -4.990 -14.493 167 HE ARG 22 HE ARG 22 52.904 -5.953 -14.437 168 1HH1 ARG 22 HH11 ARG 22 50.338 -6.330 -16.354 169 2HH1 ARG 22 HH12 ARG 22 50.113 -8.031 -16.123 170 1HH2 ARG 22 HH21 ARG 22 52.267 -8.220 -13.413 171 2HH2 ARG 22 HH22 ARG 22 51.204 -9.101 -14.459 172 H SER 23 HN SER 23 52.939 -0.866 -11.309 173 HA SER 23 HA SER 23 55.765 -1.476 -11.989 174 1HB SER 23 HB1 SER 23 54.107 0.066 -13.255 175 2HB SER 23 HB2 SER 23 55.726 0.691 -12.963 176 HG SER 23 HG SER 23 53.351 1.595 -12.038 177 HA PRO 24 HA PRO 24 57.195 -0.139 -8.029 178 1HB PRO 24 HB1 PRO 24 59.312 -0.833 -8.651 179 2HB PRO 24 HB2 PRO 24 59.644 0.909 -8.640 180 1HG PRO 24 HG1 PRO 24 60.018 -0.631 -10.816 181 2HG PRO 24 HG2 PRO 24 59.529 1.066 -10.922 182 1HD PRO 24 HD1 PRO 24 57.966 -1.389 -11.437 183 2HD PRO 24 HD2 PRO 24 57.731 0.258 -12.063 184 H SER 25 HN SER 25 55.344 1.636 -8.633 185 HA SER 25 HA SER 25 56.514 4.248 -7.899 186 1HB SER 25 HB1 SER 25 54.828 4.965 -9.966 187 2HB SER 25 HB2 SER 25 55.559 3.483 -10.576 188 HG SER 25 HG SER 25 56.785 5.404 -11.027 189 H SER 26 HN SER 26 53.536 2.531 -8.908 190 HA SER 26 HA SER 26 51.626 4.236 -7.681 191 1HB SER 26 HB1 SER 26 51.156 2.413 -9.284 192 2HB SER 26 HB2 SER 26 50.197 2.218 -7.822 193 HG SER 26 HG SER 26 52.550 0.844 -8.550 194 H VAL 27 HN VAL 27 53.713 1.755 -6.300 195 HA VAL 27 HA VAL 27 52.306 1.799 -3.702 196 HB VAL 27 HB VAL 27 54.018 0.102 -3.118 197 1HG1 VAL 27 HG11 VAL 27 53.098 -1.582 -4.463 198 2HG1 VAL 27 HG12 VAL 27 53.029 -0.541 -5.886 199 3HG1 VAL 27 HG13 VAL 27 51.885 -0.306 -4.564 200 1HG2 VAL 27 HG21 VAL 27 55.779 1.250 -4.638 201 2HG2 VAL 27 HG22 VAL 27 55.034 0.341 -5.953 202 3HG2 VAL 27 HG23 VAL 27 55.763 -0.511 -4.594 203 H THR 28 HN THR 28 55.124 3.239 -5.213 204 HA THR 28 HA THR 28 56.263 4.163 -2.649 205 HB THR 28 HB THR 28 57.019 4.961 -5.471 206 HG1 THR 28 HG1 THR 28 58.204 3.113 -5.593 207 1HG2 THR 28 HG21 THR 28 58.996 4.419 -3.321 208 2HG2 THR 28 HG22 THR 28 57.989 5.852 -3.117 209 3HG2 THR 28 HG23 THR 28 58.992 5.677 -4.556 210 H GLY 29 HN GLY 29 54.360 5.381 -5.355 211 1HA GLY 29 HA1 GLY 29 53.494 7.548 -5.774 212 2HA GLY 29 HA2 GLY 29 54.452 8.161 -4.423 213 H ASN 30 HN ASN 30 51.613 8.692 -4.935 214 HA ASN 30 HA ASN 30 50.281 7.193 -2.714 215 1HB ASN 30 HB1 ASN 30 49.573 9.369 -1.770 216 2HB ASN 30 HB2 ASN 30 50.458 10.208 -3.043 217 1HD2 ASN 30 HD21 ASN 30 52.087 11.191 -1.735 218 2HD2 ASN 30 HD22 ASN 30 53.207 10.304 -0.822 219 H ALA 31 HN ALA 31 49.997 7.334 -5.748 220 HA ALA 31 HA ALA 31 47.375 8.665 -6.106 221 1HB ALA 31 HB1 ALA 31 47.929 7.452 -8.459 222 2HB ALA 31 HB2 ALA 31 49.551 7.495 -7.770 223 3HB ALA 31 HB3 ALA 31 48.650 8.993 -7.996 224 H LEU 32 HN LEU 32 48.731 5.366 -6.526 225 HA LEU 32 HA LEU 32 46.310 4.016 -7.122 226 1HB LEU 32 HB1 LEU 32 48.263 2.596 -5.407 227 2HB LEU 32 HB2 LEU 32 48.967 3.388 -6.820 228 HG LEU 32 HG LEU 32 46.523 1.604 -6.979 229 1HD1 LEU 32 HD11 LEU 32 46.565 2.754 -8.974 230 2HD1 LEU 32 HD12 LEU 32 47.704 1.472 -9.386 231 3HD1 LEU 32 HD13 LEU 32 48.302 3.054 -8.886 232 1HD2 LEU 32 HD21 LEU 32 49.252 0.843 -6.455 233 2HD2 LEU 32 HD22 LEU 32 48.833 0.340 -8.091 234 3HD2 LEU 32 HD23 LEU 32 47.857 -0.200 -6.726 235 H TRP 33 HN TRP 33 47.669 5.032 -4.030 236 HA TRP 33 HA TRP 33 45.696 3.584 -2.405 237 1HB TRP 33 HB1 TRP 33 46.842 4.679 -0.563 238 2HB TRP 33 HB2 TRP 33 47.525 5.893 -1.642 239 HD1 TRP 33 HD1 TRP 33 49.667 5.303 -2.972 240 HE1 TRP 33 HE1 TRP 33 51.271 3.293 -2.973 241 HE3 TRP 33 HE3 TRP 33 46.939 1.992 -0.198 242 HZ2 TRP 33 HZ2 TRP 33 51.386 0.633 -1.946 243 HZ3 TRP 33 HZ3 TRP 33 47.828 -0.271 0.279 244 HH2 TRP 33 HH2 TRP 33 50.044 -0.956 -0.589 245 H LYS 34 HN LYS 34 46.318 6.969 -3.335 246 HA LYS 34 HA LYS 34 44.081 8.189 -2.050 247 1HB LYS 34 HB1 LYS 34 44.468 9.789 -4.145 248 2HB LYS 34 HB2 LYS 34 45.877 8.761 -4.390 249 1HG LYS 34 HG1 LYS 34 46.643 9.244 -2.109 250 2HG LYS 34 HG2 LYS 34 45.210 10.230 -1.824 251 1HD LYS 34 HD1 LYS 34 45.888 11.797 -3.559 252 2HD LYS 34 HD2 LYS 34 47.250 10.769 -4.003 253 1HE LYS 34 HE1 LYS 34 48.428 11.277 -2.018 254 2HE LYS 34 HE2 LYS 34 46.961 11.827 -1.184 255 1HZ LYS 34 HZ1 LYS 34 48.090 13.107 -3.624 256 2HZ LYS 34 HZ2 LYS 34 48.392 13.662 -2.047 257 3HZ LYS 34 HZ3 LYS 34 46.811 13.685 -2.668 258 H ALA 35 HN ALA 35 44.428 6.779 -5.317 259 HA ALA 35 HA ALA 35 41.850 7.410 -6.345 260 1HB ALA 35 HB1 ALA 35 43.882 6.449 -7.532 261 2HB ALA 35 HB2 ALA 35 42.353 5.682 -7.957 262 3HB ALA 35 HB3 ALA 35 43.457 4.886 -6.836 263 H MET 36 HN MET 36 42.962 4.598 -4.447 264 HA MET 36 HA MET 36 40.665 2.978 -4.458 265 1HB MET 36 HB1 MET 36 42.315 3.560 -1.991 266 2HB MET 36 HB2 MET 36 42.989 2.689 -3.369 267 1HG MET 36 HG1 MET 36 41.601 0.851 -3.054 268 2HG MET 36 HG2 MET 36 40.353 1.802 -2.249 269 1HE MET 36 HE1 MET 36 44.261 0.150 -0.859 270 2HE MET 36 HE2 MET 36 44.384 1.907 -0.887 271 3HE MET 36 HE3 MET 36 43.879 1.045 -2.336 272 H GLU 37 HN GLU 37 41.385 5.765 -2.353 273 HA GLU 37 HA GLU 37 38.955 5.629 -0.797 274 1HB GLU 37 HB1 GLU 37 40.817 7.938 -1.473 275 2HB GLU 37 HB2 GLU 37 41.021 6.819 -0.126 276 1HG GLU 37 HG1 GLU 37 38.975 7.599 0.910 277 2HG GLU 37 HG2 GLU 37 38.577 8.573 -0.505 278 H LYS 38 HN LYS 38 39.839 7.278 -3.820 279 HA LYS 38 HA LYS 38 37.088 8.425 -4.022 280 1HB LYS 38 HB1 LYS 38 38.160 9.801 -5.800 281 2HB LYS 38 HB2 LYS 38 39.661 8.906 -5.562 282 1HG LYS 38 HG1 LYS 38 39.916 10.875 -4.254 283 2HG LYS 38 HG2 LYS 38 39.489 9.618 -3.094 284 1HD LYS 38 HD1 LYS 38 37.908 11.130 -2.432 285 2HD LYS 38 HD2 LYS 38 37.009 10.491 -3.808 286 1HE LYS 38 HE1 LYS 38 38.919 12.593 -4.580 287 2HE LYS 38 HE2 LYS 38 37.674 13.159 -3.449 288 1HZ LYS 38 HZ1 LYS 38 35.985 12.188 -4.848 289 2HZ LYS 38 HZ2 LYS 38 37.156 11.534 -5.892 290 3HZ LYS 38 HZ3 LYS 38 36.943 13.217 -5.798 291 H SER 39 HN SER 39 37.858 5.515 -4.547 292 HA SER 39 HA SER 39 36.773 5.386 -7.339 293 1HB SER 39 HB1 SER 39 39.062 3.863 -6.067 294 2HB SER 39 HB2 SER 39 39.143 4.951 -7.448 295 HG SER 39 HG SER 39 38.814 3.246 -8.597 296 H SER 40 HN SER 40 37.693 2.937 -4.895 297 HA SER 40 HA SER 40 34.962 2.279 -4.156 298 1HB SER 40 HB1 SER 40 36.403 0.502 -6.158 299 2HB SER 40 HB2 SER 40 35.019 1.529 -6.524 300 HG SER 40 HG SER 40 34.551 -0.735 -6.017 301 H LEU 41 HN LEU 41 35.348 -0.474 -3.668 302 HA LEU 41 HA LEU 41 36.183 -1.883 -1.982 303 1HB LEU 41 HB1 LEU 41 38.582 -0.603 -3.279 304 2HB LEU 41 HB2 LEU 41 37.813 -2.115 -3.728 305 HG LEU 41 HG LEU 41 38.526 -2.321 -0.966 306 1HD1 LEU 41 HD11 LEU 41 40.244 -3.979 -2.143 307 2HD1 LEU 41 HD12 LEU 41 39.258 -3.618 -3.560 308 3HD1 LEU 41 HD13 LEU 41 38.516 -4.323 -2.123 309 1HD2 LEU 41 HD21 LEU 41 40.203 -0.665 -1.101 310 2HD2 LEU 41 HD22 LEU 41 40.640 -1.116 -2.749 311 3HD2 LEU 41 HD23 LEU 41 41.083 -2.164 -1.402 312 H THR 42 HN THR 42 35.517 -1.066 0.003 313 HA THR 42 HA THR 42 35.574 0.109 2.044 314 HB THR 42 HB THR 42 37.754 0.034 3.116 315 HG1 THR 42 HG1 THR 42 39.065 0.887 1.574 316 1HG2 THR 42 HG21 THR 42 38.392 -2.352 1.751 317 2HG2 THR 42 HG22 THR 42 36.638 -2.190 1.650 318 3HG2 THR 42 HG23 THR 42 37.437 -2.183 3.222 319 H GLN 43 HN GLN 43 37.039 2.070 3.135 320 HA GLN 43 HA GLN 43 37.588 4.190 1.149 321 1HB GLN 43 HB1 GLN 43 35.156 4.234 1.413 322 2HB GLN 43 HB2 GLN 43 35.855 5.664 2.167 323 1HG GLN 43 HG1 GLN 43 35.385 4.927 4.315 324 2HG GLN 43 HG2 GLN 43 35.449 3.224 3.860 325 1HE2 GLN 43 HE21 GLN 43 33.597 2.660 2.135 326 2HE2 GLN 43 HE22 GLN 43 32.067 3.298 2.497 327 H HIS 44 HN HIS 44 39.642 4.536 1.991 328 HA HIS 44 HA HIS 44 39.795 5.363 4.873 329 1HB HIS 44 HB1 HIS 44 42.348 4.587 4.020 330 2HB HIS 44 HB2 HIS 44 41.269 3.431 3.238 331 HD1 HIS 44 HD1 HIS 44 42.688 4.368 6.521 332 HD2 HIS 44 HD2 HIS 44 39.581 1.965 5.121 333 HE1 HIS 44 HE1 HIS 44 41.968 2.924 8.472 334 H SER 45 HN SER 45 42.089 6.655 5.048 335 HA SER 45 HA SER 45 41.766 8.950 3.192 336 1HB SER 45 HB1 SER 45 42.025 9.916 5.222 337 2HB SER 45 HB2 SER 45 43.737 9.604 4.988 338 HG SER 45 HG SER 45 42.476 8.748 6.964 339 H TRP 46 HN TRP 46 43.230 6.310 2.554 340 HA TRP 46 HA TRP 46 45.021 5.613 1.272 341 1HB TRP 46 HB1 TRP 46 44.133 7.897 0.223 342 2HB TRP 46 HB2 TRP 46 45.519 7.054 -0.442 343 HD1 TRP 46 HD1 TRP 46 44.484 10.354 0.782 344 HE1 TRP 46 HE1 TRP 46 46.523 11.901 1.109 345 HE3 TRP 46 HE3 TRP 46 48.264 6.940 0.392 346 HZ2 TRP 46 HZ2 TRP 46 49.376 11.712 1.192 347 HZ3 TRP 46 HZ3 TRP 46 50.623 7.646 0.602 348 HH2 TRP 46 HH2 TRP 46 51.185 10.023 0.995 349 H GLN 47 HN GLN 47 45.765 7.920 3.822 350 HA GLN 47 HA GLN 47 48.633 7.676 3.708 351 1HB GLN 47 HB1 GLN 47 47.762 8.221 6.361 352 2HB GLN 47 HB2 GLN 47 46.578 8.962 5.287 353 1HG GLN 47 HG1 GLN 47 48.477 10.033 4.037 354 2HG GLN 47 HG2 GLN 47 49.581 9.394 5.256 355 1HE2 GLN 47 HE21 GLN 47 47.327 11.945 4.551 356 2HE2 GLN 47 HE22 GLN 47 47.398 12.709 6.065 357 H SER 48 HN SER 48 46.406 6.364 6.190 358 HA SER 48 HA SER 48 48.194 4.555 7.401 359 1HB SER 48 HB1 SER 48 45.289 3.893 6.997 360 2HB SER 48 HB2 SER 48 45.732 5.331 7.911 361 HG SER 48 HG SER 48 47.042 3.987 9.234 362 H LEU 49 HN LEU 49 46.553 4.267 4.322 363 HA LEU 49 HA LEU 49 46.803 1.374 4.078 364 1HB LEU 49 HB1 LEU 49 46.106 1.844 1.758 365 2HB LEU 49 HB2 LEU 49 46.430 3.559 2.001 366 HG LEU 49 HG LEU 49 44.727 3.538 3.862 367 1HD1 LEU 49 HD11 LEU 49 44.250 3.252 0.977 368 2HD1 LEU 49 HD12 LEU 49 43.583 4.419 2.115 369 3HD1 LEU 49 HD13 LEU 49 42.841 2.830 1.949 370 1HD2 LEU 49 HD21 LEU 49 44.871 1.044 4.223 371 2HD2 LEU 49 HD22 LEU 49 44.006 0.829 2.704 372 3HD2 LEU 49 HD23 LEU 49 43.223 1.643 4.057 373 H LYS 50 HN LYS 50 48.509 4.100 2.471 374 HA LYS 50 HA LYS 50 50.520 2.419 1.258 375 1HB LYS 50 HB1 LYS 50 50.699 5.369 1.937 376 2HB LYS 50 HB2 LYS 50 49.749 4.754 0.584 377 1HG LYS 50 HG1 LYS 50 51.743 5.102 -0.521 378 2HG LYS 50 HG2 LYS 50 52.058 3.473 0.081 379 1HD LYS 50 HD1 LYS 50 53.467 4.236 1.777 380 2HD LYS 50 HD2 LYS 50 52.726 5.836 1.812 381 1HE LYS 50 HE1 LYS 50 53.750 6.362 -0.374 382 2HE LYS 50 HE2 LYS 50 54.483 4.746 -0.420 383 1HZ LYS 50 HZ1 LYS 50 56.063 6.263 0.524 384 2HZ LYS 50 HZ2 LYS 50 55.481 5.282 1.783 385 3HZ LYS 50 HZ3 LYS 50 54.918 6.875 1.614 386 H ASP 51 HN ASP 51 50.396 4.284 4.278 387 HA ASP 51 HA ASP 51 53.137 4.087 5.033 388 1HB ASP 51 HB1 ASP 51 50.982 3.899 7.093 389 2HB ASP 51 HB2 ASP 51 50.939 5.287 6.006 390 H ARG 52 HN ARG 52 50.391 1.983 5.983 391 HA ARG 52 HA ARG 52 51.929 0.079 7.457 392 1HB ARG 52 HB1 ARG 52 49.547 -0.855 5.950 393 2HB ARG 52 HB2 ARG 52 49.298 0.572 6.956 394 1HG ARG 52 HG1 ARG 52 48.891 -1.107 8.509 395 2HG ARG 52 HG2 ARG 52 50.625 -0.876 8.745 396 1HD ARG 52 HD1 ARG 52 50.391 -3.234 8.507 397 2HD ARG 52 HD2 ARG 52 50.876 -2.706 6.883 398 HE ARG 52 HE ARG 52 48.408 -2.702 6.325 399 1HH1 ARG 52 HH11 ARG 52 47.778 -3.069 9.359 400 2HH1 ARG 52 HH12 ARG 52 47.214 -4.707 9.349 401 1HH2 ARG 52 HH21 ARG 52 48.456 -5.393 6.184 402 2HH2 ARG 52 HH22 ARG 52 47.598 -6.024 7.550 403 H TYR 53 HN TYR 53 51.324 0.425 4.001 404 HA TYR 53 HA TYR 53 52.056 -2.201 3.138 405 1HB TYR 53 HB1 TYR 53 52.649 0.337 1.619 406 2HB TYR 53 HB2 TYR 53 50.986 -0.175 1.904 407 HD1 TYR 53 HD1 TYR 53 53.466 -0.265 -0.476 408 HD2 TYR 53 HD2 TYR 53 50.790 -2.924 1.576 409 HE1 TYR 53 HE1 TYR 53 53.640 -1.885 -2.346 410 HE2 TYR 53 HE2 TYR 53 50.963 -4.544 -0.292 411 HH TYR 53 HH TYR 53 52.537 -5.095 -2.105 412 H LEU 54 HN LEU 54 54.011 0.710 3.748 413 HA LEU 54 HA LEU 54 56.513 -0.716 3.051 414 1HB LEU 54 HB1 LEU 54 57.333 1.666 3.866 415 2HB LEU 54 HB2 LEU 54 55.623 2.067 3.707 416 HG LEU 54 HG LEU 54 55.821 0.937 1.366 417 1HD1 LEU 54 HD11 LEU 54 55.398 3.283 1.513 418 2HD1 LEU 54 HD12 LEU 54 56.787 3.118 0.439 419 3HD1 LEU 54 HD13 LEU 54 57.022 3.609 2.117 420 1HD2 LEU 54 HD21 LEU 54 57.918 -0.045 1.267 421 2HD2 LEU 54 HD22 LEU 54 58.665 1.203 2.265 422 3HD2 LEU 54 HD23 LEU 54 58.295 1.531 0.572 423 H LYS 55 HN LYS 55 54.564 -0.483 5.810 424 HA LYS 55 HA LYS 55 56.677 -0.205 7.814 425 1HB LYS 55 HB1 LYS 55 54.672 -0.916 9.282 426 2HB LYS 55 HB2 LYS 55 53.732 -0.883 7.791 427 1HG LYS 55 HG1 LYS 55 53.425 1.307 8.412 428 2HG LYS 55 HG2 LYS 55 54.964 1.504 7.574 429 1HD LYS 55 HD1 LYS 55 56.008 2.086 9.490 430 2HD LYS 55 HD2 LYS 55 55.396 0.660 10.326 431 1HE LYS 55 HE1 LYS 55 54.588 2.724 11.429 432 2HE LYS 55 HE2 LYS 55 53.225 1.854 10.696 433 1HZ LYS 55 HZ1 LYS 55 54.786 3.945 9.271 434 2HZ LYS 55 HZ2 LYS 55 53.377 4.299 10.154 435 3HZ LYS 55 HZ3 LYS 55 53.303 3.263 8.808 436 H HIS 56 HN HIS 56 54.667 -2.907 6.579 437 HA HIS 56 HA HIS 56 56.808 -4.814 7.228 438 1HB HIS 56 HB1 HIS 56 56.026 -5.157 9.339 439 2HB HIS 56 HB2 HIS 56 54.763 -6.087 8.552 440 HD1 HIS 56 HD1 HIS 56 54.938 -3.825 11.131 441 HD2 HIS 56 HD2 HIS 56 52.665 -3.818 7.636 442 HE1 HIS 56 HE1 HIS 56 52.984 -2.272 11.553 443 H LEU 57 HN LEU 57 55.052 -3.932 4.889 444 HA LEU 57 HA LEU 57 53.917 -6.635 4.214 445 1HB LEU 57 HB1 LEU 57 52.584 -5.198 2.537 446 2HB LEU 57 HB2 LEU 57 53.178 -3.811 3.441 447 HG LEU 57 HG LEU 57 52.241 -4.830 5.522 448 1HD1 LEU 57 HD11 LEU 57 50.909 -3.145 4.483 449 2HD1 LEU 57 HD12 LEU 57 49.805 -4.479 4.816 450 3HD1 LEU 57 HD13 LEU 57 50.421 -4.232 3.183 451 1HD2 LEU 57 HD21 LEU 57 50.342 -6.590 4.744 452 2HD2 LEU 57 HD22 LEU 57 51.951 -7.096 5.261 453 3HD2 LEU 57 HD23 LEU 57 51.581 -6.954 3.542 454 H ARG 58 HN ARG 58 55.238 -3.748 2.549 455 HA ARG 58 HA ARG 58 56.303 -5.425 0.369 456 1HB ARG 58 HB1 ARG 58 56.683 -2.463 0.838 457 2HB ARG 58 HB2 ARG 58 55.162 -3.117 0.232 458 1HG ARG 58 HG1 ARG 58 56.286 -2.659 -1.760 459 2HG ARG 58 HG2 ARG 58 56.730 -4.347 -1.497 460 1HD ARG 58 HD1 ARG 58 58.926 -3.818 -1.098 461 2HD ARG 58 HD2 ARG 58 58.501 -2.361 -0.179 462 HE ARG 58 HE ARG 58 58.346 -2.505 -3.175 463 1HH1 ARG 58 HH11 ARG 58 57.067 -0.121 -2.070 464 2HH1 ARG 58 HH12 ARG 58 58.360 1.031 -1.992 465 1HH2 ARG 58 HH21 ARG 58 60.861 -1.353 -2.266 466 2HH2 ARG 58 HH22 ARG 58 60.505 0.334 -2.102 467 H GLY 59 HN GLY 59 57.925 -6.620 1.638 468 1HA GLY 59 HA1 GLY 59 59.916 -6.667 3.050 469 2HA GLY 59 HA2 GLY 59 60.199 -4.975 2.642 Start of MODEL 12 1 1H GLY 1 HT1 GLY 1 48.843 7.970 12.459 2 2H GLY 1 HT2 GLY 1 50.310 7.756 13.288 3 3H GLY 1 HT3 GLY 1 48.855 7.899 14.154 4 1HA GLY 1 HA1 GLY 1 49.313 5.625 14.194 5 2HA GLY 1 HA2 GLY 1 49.800 5.637 12.499 6 H ARG 2 HN ARG 2 46.954 7.227 13.896 7 HA ARG 2 HA ARG 2 44.651 6.920 13.502 8 1HB ARG 2 HB1 ARG 2 44.167 6.272 11.114 9 2HB ARG 2 HB2 ARG 2 45.888 5.940 10.910 10 1HG ARG 2 HG1 ARG 2 46.378 8.289 11.605 11 2HG ARG 2 HG2 ARG 2 44.644 8.599 11.686 12 1HD ARG 2 HD1 ARG 2 44.568 7.796 9.228 13 2HD ARG 2 HD2 ARG 2 46.331 7.992 9.246 14 HE ARG 2 HE ARG 2 44.375 10.148 9.270 15 1HH1 ARG 2 HH11 ARG 2 45.263 11.366 11.477 16 2HH1 ARG 2 HH12 ARG 2 46.851 11.986 11.170 17 1HH2 ARG 2 HH21 ARG 2 47.382 9.993 8.383 18 2HH2 ARG 2 HH22 ARG 2 48.050 11.209 9.420 19 H ILE 3 HN ILE 3 42.986 5.149 12.802 20 HA ILE 3 HA ILE 3 43.364 2.824 14.424 21 HB ILE 3 HB ILE 3 41.191 3.834 13.817 22 1HG1 ILE 3 HG11 ILE 3 41.476 1.340 14.374 23 2HG1 ILE 3 HG12 ILE 3 41.297 1.046 12.647 24 1HG2 ILE 3 HG21 ILE 3 40.397 4.000 11.653 25 2HG2 ILE 3 HG22 ILE 3 41.301 2.590 11.102 26 3HG2 ILE 3 HG23 ILE 3 42.126 4.130 11.331 27 1HD1 ILE 3 HD11 ILE 3 39.060 1.133 12.905 28 2HD1 ILE 3 HD12 ILE 3 39.204 2.822 13.394 29 3HD1 ILE 3 HD13 ILE 3 39.248 1.544 14.609 30 H ALA 4 HN ALA 4 43.319 0.539 13.593 31 HA ALA 4 HA ALA 4 45.276 0.201 11.386 32 1HB ALA 4 HB1 ALA 4 44.498 -1.124 13.863 33 2HB ALA 4 HB2 ALA 4 45.990 -1.288 12.940 34 3HB ALA 4 HB3 ALA 4 44.588 -2.276 12.531 35 H PHE 5 HN PHE 5 44.528 -2.390 10.563 36 HA PHE 5 HA PHE 5 41.836 -1.945 9.311 37 1HB PHE 5 HB1 PHE 5 42.907 -3.100 7.317 38 2HB PHE 5 HB2 PHE 5 44.448 -2.979 8.169 39 HD1 PHE 5 HD1 PHE 5 42.061 -1.273 6.087 40 HD2 PHE 5 HD2 PHE 5 45.215 -0.644 8.935 41 HE1 PHE 5 HE1 PHE 5 42.303 1.068 5.302 42 HE2 PHE 5 HE2 PHE 5 45.457 1.696 8.149 43 HZ PHE 5 HZ PHE 5 44.002 2.552 6.333 44 H THR 6 HN THR 6 40.447 -3.663 9.560 45 HA THR 6 HA THR 6 41.176 -5.952 11.177 46 HB THR 6 HB THR 6 38.757 -5.755 9.384 47 HG1 THR 6 HG1 THR 6 38.299 -3.934 10.288 48 1HG2 THR 6 HG21 THR 6 39.045 -7.746 10.820 49 2HG2 THR 6 HG22 THR 6 37.656 -6.783 11.326 50 3HG2 THR 6 HG23 THR 6 39.165 -6.699 12.235 51 H ASP 7 HN ASP 7 40.932 -8.240 10.398 52 HA ASP 7 HA ASP 7 42.626 -8.916 8.242 53 1HB ASP 7 HB1 ASP 7 41.268 -11.138 8.429 54 2HB ASP 7 HB2 ASP 7 40.401 -10.313 9.724 55 H ALA 8 HN ALA 8 39.101 -8.438 8.262 56 HA ALA 8 HA ALA 8 38.571 -9.356 5.589 57 1HB ALA 8 HB1 ALA 8 37.028 -7.101 6.806 58 2HB ALA 8 HB2 ALA 8 37.086 -8.618 7.704 59 3HB ALA 8 HB3 ALA 8 36.436 -8.589 6.065 60 H ASP 9 HN ASP 9 39.448 -6.174 6.921 61 HA ASP 9 HA ASP 9 39.218 -4.730 4.419 62 1HB ASP 9 HB1 ASP 9 40.554 -3.035 5.746 63 2HB ASP 9 HB2 ASP 9 40.682 -4.236 7.032 64 H ASP 10 HN ASP 10 41.814 -6.501 6.043 65 HA ASP 10 HA ASP 10 44.031 -5.591 4.482 66 1HB ASP 10 HB1 ASP 10 44.630 -8.184 5.136 67 2HB ASP 10 HB2 ASP 10 43.320 -7.844 6.268 68 H VAL 11 HN VAL 11 41.772 -8.312 3.987 69 HA VAL 11 HA VAL 11 43.003 -9.368 1.618 70 HB VAL 11 HB VAL 11 40.111 -9.373 2.559 71 1HG1 VAL 11 HG11 VAL 11 40.206 -11.631 1.271 72 2HG1 VAL 11 HG12 VAL 11 41.612 -10.937 0.464 73 3HG1 VAL 11 HG13 VAL 11 40.041 -10.147 0.333 74 1HG2 VAL 11 HG21 VAL 11 41.177 -10.435 4.303 75 2HG2 VAL 11 HG22 VAL 11 42.563 -10.891 3.314 76 3HG2 VAL 11 HG23 VAL 11 41.059 -11.805 3.198 77 H ALA 12 HN ALA 12 40.450 -6.933 2.112 78 HA ALA 12 HA ALA 12 39.808 -6.473 -0.644 79 1HB ALA 12 HB1 ALA 12 39.782 -4.422 1.583 80 2HB ALA 12 HB2 ALA 12 38.620 -5.747 1.524 81 3HB ALA 12 HB3 ALA 12 38.668 -4.557 0.223 82 H ILE 13 HN ILE 13 42.190 -4.951 1.527 83 HA ILE 13 HA ILE 13 43.150 -3.039 -0.443 84 HB ILE 13 HB ILE 13 44.347 -4.142 2.128 85 1HG1 ILE 13 HG11 ILE 13 42.027 -2.912 2.068 86 2HG1 ILE 13 HG12 ILE 13 43.005 -1.469 1.801 87 1HG2 ILE 13 HG21 ILE 13 45.112 -1.871 0.303 88 2HG2 ILE 13 HG22 ILE 13 46.149 -3.077 1.066 89 3HG2 ILE 13 HG23 ILE 13 45.455 -1.775 2.030 90 1HD1 ILE 13 HD11 ILE 13 43.216 -3.398 4.133 91 2HD1 ILE 13 HD12 ILE 13 42.633 -1.735 4.192 92 3HD1 ILE 13 HD13 ILE 13 44.330 -2.061 3.844 93 H LEU 14 HN LEU 14 43.982 -6.339 0.457 94 HA LEU 14 HA LEU 14 46.549 -6.461 -0.877 95 1HB LEU 14 HB1 LEU 14 44.484 -8.516 -0.022 96 2HB LEU 14 HB2 LEU 14 45.920 -8.020 0.868 97 HG LEU 14 HG LEU 14 45.998 -9.375 -1.843 98 1HD1 LEU 14 HD11 LEU 14 48.385 -9.729 -1.218 99 2HD1 LEU 14 HD12 LEU 14 48.120 -8.778 0.244 100 3HD1 LEU 14 HD13 LEU 14 47.972 -8.019 -1.342 101 1HD2 LEU 14 HD21 LEU 14 46.003 -11.416 -0.830 102 2HD2 LEU 14 HD22 LEU 14 45.206 -10.578 0.500 103 3HD2 LEU 14 HD23 LEU 14 46.950 -10.841 0.542 104 H THR 15 HN THR 15 43.380 -7.870 -1.819 105 HA THR 15 HA THR 15 44.060 -8.623 -4.462 106 HB THR 15 HB THR 15 42.013 -9.277 -3.249 107 HG1 THR 15 HG1 THR 15 41.205 -9.552 -5.145 108 1HG2 THR 15 HG21 THR 15 41.692 -6.939 -2.258 109 2HG2 THR 15 HG22 THR 15 40.229 -7.756 -2.805 110 3HG2 THR 15 HG23 THR 15 40.961 -6.496 -3.799 111 H TYR 16 HN TYR 16 42.949 -5.495 -3.214 112 HA TYR 16 HA TYR 16 42.564 -4.180 -5.748 113 1HB TYR 16 HB1 TYR 16 43.286 -3.135 -2.984 114 2HB TYR 16 HB2 TYR 16 41.653 -3.413 -3.585 115 HD1 TYR 16 HD1 TYR 16 40.658 -1.939 -5.277 116 HD2 TYR 16 HD2 TYR 16 44.622 -1.253 -3.772 117 HE1 TYR 16 HE1 TYR 16 40.632 0.344 -6.248 118 HE2 TYR 16 HE2 TYR 16 44.597 1.028 -4.743 119 HH TYR 16 HH TYR 16 42.603 2.017 -7.056 120 H VAL 17 HN VAL 17 45.284 -4.006 -3.422 121 HA VAL 17 HA VAL 17 47.044 -2.445 -5.034 122 HB VAL 17 HB VAL 17 47.407 -4.464 -2.800 123 1HG1 VAL 17 HG11 VAL 17 49.550 -4.512 -3.806 124 2HG1 VAL 17 HG12 VAL 17 49.694 -3.291 -2.542 125 3HG1 VAL 17 HG13 VAL 17 49.486 -2.800 -4.223 126 1HG2 VAL 17 HG21 VAL 17 47.911 -1.508 -2.670 127 2HG2 VAL 17 HG22 VAL 17 47.420 -2.612 -1.385 128 3HG2 VAL 17 HG23 VAL 17 46.256 -2.114 -2.613 129 H LYS 18 HN LYS 18 46.721 -5.993 -4.728 130 HA LYS 18 HA LYS 18 48.865 -6.708 -6.484 131 1HB LYS 18 HB1 LYS 18 46.424 -8.397 -6.383 132 2HB LYS 18 HB2 LYS 18 47.137 -7.981 -4.824 133 1HG LYS 18 HG1 LYS 18 48.166 -10.033 -5.552 134 2HG LYS 18 HG2 LYS 18 49.363 -8.755 -5.751 135 1HD LYS 18 HD1 LYS 18 49.374 -8.962 -8.019 136 2HD LYS 18 HD2 LYS 18 47.622 -9.150 -8.103 137 1HE LYS 18 HE1 LYS 18 48.682 -11.238 -8.829 138 2HE LYS 18 HE2 LYS 18 47.913 -11.515 -7.253 139 1HZ LYS 18 HZ1 LYS 18 50.748 -10.686 -7.626 140 2HZ LYS 18 HZ2 LYS 18 50.259 -12.294 -7.376 141 3HZ LYS 18 HZ3 LYS 18 50.003 -11.128 -6.168 142 H GLU 19 HN GLU 19 45.693 -5.434 -7.170 143 HA GLU 19 HA GLU 19 45.685 -6.440 -9.955 144 1HB GLU 19 HB1 GLU 19 43.521 -4.908 -9.813 145 2HB GLU 19 HB2 GLU 19 43.831 -5.015 -8.079 146 1HG GLU 19 HG1 GLU 19 43.822 -7.467 -8.215 147 2HG GLU 19 HG2 GLU 19 43.580 -7.386 -9.960 148 H ASN 20 HN ASN 20 45.830 -3.277 -8.266 149 HA ASN 20 HA ASN 20 46.226 -1.847 -10.815 150 1HB ASN 20 HB1 ASN 20 46.210 0.117 -9.334 151 2HB ASN 20 HB2 ASN 20 46.311 -0.933 -7.923 152 1HD2 ASN 20 HD21 ASN 20 44.200 0.186 -7.343 153 2HD2 ASN 20 HD22 ASN 20 42.758 -0.433 -7.990 154 H ALA 21 HN ALA 21 48.101 -2.065 -7.760 155 HA ALA 21 HA ALA 21 50.454 -0.802 -8.385 156 1HB ALA 21 HB1 ALA 21 50.460 -3.534 -7.110 157 2HB ALA 21 HB2 ALA 21 49.679 -2.163 -6.325 158 3HB ALA 21 HB3 ALA 21 51.407 -2.113 -6.669 159 H ARG 22 HN ARG 22 51.273 -0.909 -10.468 160 HA ARG 22 HA ARG 22 52.628 -3.440 -11.237 161 1HB ARG 22 HB1 ARG 22 51.608 -2.640 -13.636 162 2HB ARG 22 HB2 ARG 22 50.314 -2.122 -12.555 163 1HG ARG 22 HG1 ARG 22 49.703 -4.335 -13.036 164 2HG ARG 22 HG2 ARG 22 50.583 -4.515 -11.517 165 1HD ARG 22 HD1 ARG 22 52.647 -5.065 -12.803 166 2HD ARG 22 HD2 ARG 22 51.714 -4.942 -14.310 167 HE ARG 22 HE ARG 22 51.216 -6.953 -12.144 168 1HH1 ARG 22 HH11 ARG 22 48.736 -7.023 -13.276 169 2HH1 ARG 22 HH12 ARG 22 48.871 -7.886 -14.771 170 1HH2 ARG 22 HH21 ARG 22 52.316 -7.516 -14.975 171 2HH2 ARG 22 HH22 ARG 22 50.902 -8.166 -15.735 172 H SER 23 HN SER 23 53.402 -0.692 -10.277 173 HA SER 23 HA SER 23 55.416 -0.119 -12.368 174 1HB SER 23 HB1 SER 23 53.156 1.139 -12.714 175 2HB SER 23 HB2 SER 23 54.642 2.078 -12.789 176 HG SER 23 HG SER 23 52.619 2.469 -11.185 177 HA PRO 24 HA PRO 24 57.734 1.056 -8.800 178 1HB PRO 24 HB1 PRO 24 59.539 1.408 -10.192 179 2HB PRO 24 HB2 PRO 24 59.323 3.091 -9.674 180 1HG PRO 24 HG1 PRO 24 59.238 2.286 -12.266 181 2HG PRO 24 HG2 PRO 24 58.370 3.697 -11.647 182 1HD PRO 24 HD1 PRO 24 57.319 1.132 -12.581 183 2HD PRO 24 HD2 PRO 24 56.471 2.668 -12.306 184 H SER 25 HN SER 25 55.286 3.084 -9.781 185 HA SER 25 HA SER 25 55.858 5.041 -7.578 186 1HB SER 25 HB1 SER 25 54.714 6.702 -9.005 187 2HB SER 25 HB2 SER 25 54.454 5.467 -10.233 188 HG SER 25 HG SER 25 56.299 6.301 -10.899 189 H SER 26 HN SER 26 54.062 2.428 -8.049 190 HA SER 26 HA SER 26 51.388 3.523 -7.444 191 1HB SER 26 HB1 SER 26 51.408 1.705 -8.951 192 2HB SER 26 HB2 SER 26 50.955 0.958 -7.422 193 HG SER 26 HG SER 26 52.754 -0.099 -7.386 194 H VAL 27 HN VAL 27 53.611 1.155 -5.905 195 HA VAL 27 HA VAL 27 52.155 1.307 -3.371 196 HB VAL 27 HB VAL 27 53.801 -0.365 -2.659 197 1HG1 VAL 27 HG11 VAL 27 53.375 -1.200 -5.475 198 2HG1 VAL 27 HG12 VAL 27 51.934 -0.715 -4.581 199 3HG1 VAL 27 HG13 VAL 27 52.947 -2.026 -3.976 200 1HG2 VAL 27 HG21 VAL 27 55.485 -1.045 -4.573 201 2HG2 VAL 27 HG22 VAL 27 55.897 0.269 -3.473 202 3HG2 VAL 27 HG23 VAL 27 55.281 0.629 -5.083 203 H THR 28 HN THR 28 55.257 2.548 -4.607 204 HA THR 28 HA THR 28 55.943 3.706 -1.976 205 HB THR 28 HB THR 28 57.659 2.684 -3.405 206 HG1 THR 28 HG1 THR 28 58.282 4.441 -2.128 207 1HG2 THR 28 HG21 THR 28 56.365 4.370 -5.436 208 2HG2 THR 28 HG22 THR 28 57.320 2.900 -5.634 209 3HG2 THR 28 HG23 THR 28 58.127 4.459 -5.461 210 H GLY 29 HN GLY 29 54.277 4.705 -4.847 211 1HA GLY 29 HA1 GLY 29 53.885 6.919 -5.693 212 2HA GLY 29 HA2 GLY 29 54.755 7.578 -4.306 213 H ASN 30 HN ASN 30 52.117 8.386 -5.246 214 HA ASN 30 HA ASN 30 50.375 7.454 -2.991 215 1HB ASN 30 HB1 ASN 30 49.742 9.881 -2.760 216 2HB ASN 30 HB2 ASN 30 50.996 10.269 -3.937 217 1HD2 ASN 30 HD21 ASN 30 52.034 11.521 -2.098 218 2HD2 ASN 30 HD22 ASN 30 52.966 10.678 -0.958 219 H ALA 31 HN ALA 31 50.466 6.915 -5.999 220 HA ALA 31 HA ALA 31 48.023 8.263 -6.987 221 1HB ALA 31 HB1 ALA 31 48.793 7.585 -9.060 222 2HB ALA 31 HB2 ALA 31 49.420 6.055 -8.441 223 3HB ALA 31 HB3 ALA 31 50.318 7.550 -8.174 224 H LEU 32 HN LEU 32 49.123 4.856 -6.725 225 HA LEU 32 HA LEU 32 46.594 3.632 -7.135 226 1HB LEU 32 HB1 LEU 32 48.427 2.336 -5.209 227 2HB LEU 32 HB2 LEU 32 49.204 2.862 -6.703 228 HG LEU 32 HG LEU 32 46.583 1.460 -6.941 229 1HD1 LEU 32 HD11 LEU 32 49.010 2.017 -8.526 230 2HD1 LEU 32 HD12 LEU 32 47.347 1.776 -9.058 231 3HD1 LEU 32 HD13 LEU 32 48.376 0.386 -8.727 232 1HD2 LEU 32 HD21 LEU 32 48.450 0.324 -5.273 233 2HD2 LEU 32 HD22 LEU 32 48.919 -0.350 -6.832 234 3HD2 LEU 32 HD23 LEU 32 47.282 -0.590 -6.223 235 H TRP 33 HN TRP 33 48.144 4.781 -4.151 236 HA TRP 33 HA TRP 33 46.131 3.806 -2.326 237 1HB TRP 33 HB1 TRP 33 47.292 5.233 -0.729 238 2HB TRP 33 HB2 TRP 33 48.009 6.177 -2.033 239 HD1 TRP 33 HD1 TRP 33 50.390 5.533 -2.562 240 HE1 TRP 33 HE1 TRP 33 51.826 3.405 -2.394 241 HE3 TRP 33 HE3 TRP 33 46.915 2.259 -0.742 242 HZ2 TRP 33 HZ2 TRP 33 51.544 0.680 -1.598 243 HZ3 TRP 33 HZ3 TRP 33 47.538 -0.102 -0.287 244 HH2 TRP 33 HH2 TRP 33 49.843 -0.890 -0.713 245 H LYS 34 HN LYS 34 46.752 7.126 -3.582 246 HA LYS 34 HA LYS 34 44.475 8.409 -2.499 247 1HB LYS 34 HB1 LYS 34 44.795 9.800 -4.721 248 2HB LYS 34 HB2 LYS 34 46.212 8.772 -4.921 249 1HG LYS 34 HG1 LYS 34 47.166 10.462 -3.668 250 2HG LYS 34 HG2 LYS 34 46.566 9.454 -2.349 251 1HD LYS 34 HD1 LYS 34 44.767 10.871 -1.912 252 2HD LYS 34 HD2 LYS 34 44.748 11.517 -3.554 253 1HE LYS 34 HE1 LYS 34 46.884 12.713 -3.084 254 2HE LYS 34 HE2 LYS 34 46.839 12.096 -1.420 255 1HZ LYS 34 HZ1 LYS 34 44.757 13.176 -1.061 256 2HZ LYS 34 HZ2 LYS 34 44.613 13.598 -2.701 257 3HZ LYS 34 HZ3 LYS 34 45.796 14.336 -1.732 258 H ALA 35 HN ALA 35 44.799 6.568 -5.534 259 HA ALA 35 HA ALA 35 42.281 7.096 -6.711 260 1HB ALA 35 HB1 ALA 35 42.664 4.694 -7.617 261 2HB ALA 35 HB2 ALA 35 44.138 4.715 -6.649 262 3HB ALA 35 HB3 ALA 35 43.916 5.894 -7.942 263 H MET 36 HN MET 36 43.168 4.676 -4.250 264 HA MET 36 HA MET 36 40.579 3.422 -4.055 265 1HB MET 36 HB1 MET 36 42.284 3.580 -1.639 266 2HB MET 36 HB2 MET 36 43.116 3.015 -3.087 267 1HG MET 36 HG1 MET 36 41.858 1.090 -3.221 268 2HG MET 36 HG2 MET 36 40.430 1.845 -2.524 269 1HE MET 36 HE1 MET 36 44.042 -0.036 -0.520 270 2HE MET 36 HE2 MET 36 43.917 0.688 -2.120 271 3HE MET 36 HE3 MET 36 43.077 -0.821 -1.776 272 H GLU 37 HN GLU 37 42.125 6.093 -2.255 273 HA GLU 37 HA GLU 37 40.187 6.578 -0.266 274 1HB GLU 37 HB1 GLU 37 41.709 8.663 -1.858 275 2HB GLU 37 HB2 GLU 37 42.457 7.644 -0.627 276 1HG GLU 37 HG1 GLU 37 41.579 8.873 1.065 277 2HG GLU 37 HG2 GLU 37 39.983 8.915 0.315 278 H LYS 38 HN LYS 38 40.051 7.321 -3.708 279 HA LYS 38 HA LYS 38 37.709 9.091 -3.431 280 1HB LYS 38 HB1 LYS 38 38.857 7.876 -5.950 281 2HB LYS 38 HB2 LYS 38 39.660 9.208 -5.118 282 1HG LYS 38 HG1 LYS 38 38.309 10.378 -6.605 283 2HG LYS 38 HG2 LYS 38 37.248 10.293 -5.198 284 1HD LYS 38 HD1 LYS 38 35.805 8.843 -6.219 285 2HD LYS 38 HD2 LYS 38 37.102 7.970 -7.035 286 1HE LYS 38 HE1 LYS 38 36.393 10.779 -7.888 287 2HE LYS 38 HE2 LYS 38 35.481 9.388 -8.506 288 1HZ LYS 38 HZ1 LYS 38 37.497 8.391 -9.264 289 2HZ LYS 38 HZ2 LYS 38 38.452 9.567 -8.495 290 3HZ LYS 38 HZ3 LYS 38 37.498 9.987 -9.838 291 H SER 39 HN SER 39 38.405 5.744 -4.353 292 HA SER 39 HA SER 39 35.525 5.087 -4.105 293 1HB SER 39 HB1 SER 39 36.809 4.009 -6.546 294 2HB SER 39 HB2 SER 39 36.577 5.754 -6.551 295 HG SER 39 HG SER 39 34.726 3.758 -6.711 296 H SER 40 HN SER 40 37.011 4.164 -2.218 297 HA SER 40 HA SER 40 38.463 1.689 -2.929 298 1HB SER 40 HB1 SER 40 39.481 3.002 -1.243 299 2HB SER 40 HB2 SER 40 38.674 1.731 -0.333 300 HG SER 40 HG SER 40 38.291 4.334 -0.150 301 H LEU 41 HN LEU 41 37.945 -0.133 -1.146 302 HA LEU 41 HA LEU 41 35.058 -0.798 -1.476 303 1HB LEU 41 HB1 LEU 41 37.223 -2.607 -0.424 304 2HB LEU 41 HB2 LEU 41 37.156 -2.230 -2.146 305 HG LEU 41 HG LEU 41 34.533 -2.954 -1.012 306 1HD1 LEU 41 HD11 LEU 41 34.494 -3.022 -3.307 307 2HD1 LEU 41 HD12 LEU 41 34.993 -4.690 -3.025 308 3HD1 LEU 41 HD13 LEU 41 36.197 -3.465 -3.429 309 1HD2 LEU 41 HD21 LEU 41 34.937 -5.214 -0.493 310 2HD2 LEU 41 HD22 LEU 41 36.294 -4.384 0.269 311 3HD2 LEU 41 HD23 LEU 41 36.518 -5.209 -1.273 312 H THR 42 HN THR 42 37.505 -0.104 0.950 313 HA THR 42 HA THR 42 35.553 -0.722 3.135 314 HB THR 42 HB THR 42 37.774 -0.490 4.486 315 HG1 THR 42 HG1 THR 42 38.905 -1.060 1.964 316 1HG2 THR 42 HG21 THR 42 38.078 -2.805 2.681 317 2HG2 THR 42 HG22 THR 42 36.468 -2.624 3.381 318 3HG2 THR 42 HG23 THR 42 37.878 -2.757 4.434 319 H GLN 43 HN GLN 43 36.523 0.905 5.127 320 HA GLN 43 HA GLN 43 36.060 3.652 4.025 321 1HB GLN 43 HB1 GLN 43 35.185 4.064 6.357 322 2HB GLN 43 HB2 GLN 43 35.452 2.353 6.697 323 1HG GLN 43 HG1 GLN 43 34.055 2.156 4.380 324 2HG GLN 43 HG2 GLN 43 33.376 3.655 5.016 325 1HE2 GLN 43 HE21 GLN 43 33.170 3.283 7.702 326 2HE2 GLN 43 HE22 GLN 43 32.254 1.905 8.079 327 H HIS 44 HN HIS 44 38.289 4.162 3.677 328 HA HIS 44 HA HIS 44 39.738 5.015 6.085 329 1HB HIS 44 HB1 HIS 44 41.690 3.496 4.781 330 2HB HIS 44 HB2 HIS 44 40.249 2.483 4.702 331 HD1 HIS 44 HD1 HIS 44 42.607 4.096 7.152 332 HD2 HIS 44 HD2 HIS 44 39.331 1.518 7.203 333 HE1 HIS 44 HE1 HIS 44 42.466 3.171 9.501 334 H SER 45 HN SER 45 41.935 5.997 5.356 335 HA SER 45 HA SER 45 41.459 7.535 2.842 336 1HB SER 45 HB1 SER 45 41.850 8.983 4.640 337 2HB SER 45 HB2 SER 45 43.465 8.831 3.957 338 HG SER 45 HG SER 45 43.476 8.498 6.211 339 H TRP 46 HN TRP 46 44.005 8.257 2.131 340 HA TRP 46 HA TRP 46 45.135 5.682 1.176 341 1HB TRP 46 HB1 TRP 46 44.447 7.757 -0.243 342 2HB TRP 46 HB2 TRP 46 45.978 6.975 -0.624 343 HD1 TRP 46 HD1 TRP 46 44.517 10.233 0.573 344 HE1 TRP 46 HE1 TRP 46 46.418 11.948 0.906 345 HE3 TRP 46 HE3 TRP 46 48.563 7.158 0.120 346 HZ2 TRP 46 HZ2 TRP 46 49.283 11.999 0.975 347 HZ3 TRP 46 HZ3 TRP 46 50.863 8.058 0.326 348 HH2 TRP 46 HH2 TRP 46 51.227 10.470 0.752 349 H GLN 47 HN GLN 47 45.947 8.439 3.216 350 HA GLN 47 HA GLN 47 48.759 8.200 3.444 351 1HB GLN 47 HB1 GLN 47 47.902 8.876 5.974 352 2HB GLN 47 HB2 GLN 47 46.481 9.253 5.002 353 1HG GLN 47 HG1 GLN 47 47.783 10.703 3.559 354 2HG GLN 47 HG2 GLN 47 49.284 10.209 4.347 355 1HE2 GLN 47 HE21 GLN 47 46.062 11.352 5.546 356 2HE2 GLN 47 HE22 GLN 47 46.710 12.524 6.590 357 H SER 48 HN SER 48 46.561 6.994 5.997 358 HA SER 48 HA SER 48 48.385 5.205 7.214 359 1HB SER 48 HB1 SER 48 45.477 4.518 7.044 360 2HB SER 48 HB2 SER 48 45.912 6.076 7.742 361 HG SER 48 HG SER 48 46.801 3.521 8.568 362 H LEU 49 HN LEU 49 46.492 4.844 4.293 363 HA LEU 49 HA LEU 49 46.643 1.951 4.092 364 1HB LEU 49 HB1 LEU 49 46.315 4.025 1.904 365 2HB LEU 49 HB2 LEU 49 45.006 3.556 2.989 366 HG LEU 49 HG LEU 49 46.564 1.612 1.265 367 1HD1 LEU 49 HD11 LEU 49 44.329 1.424 3.239 368 2HD1 LEU 49 HD12 LEU 49 45.648 0.296 2.927 369 3HD1 LEU 49 HD13 LEU 49 44.270 0.365 1.830 370 1HD2 LEU 49 HD21 LEU 49 43.705 2.320 0.745 371 2HD2 LEU 49 HD22 LEU 49 44.956 1.803 -0.386 372 3HD2 LEU 49 HD23 LEU 49 44.942 3.461 0.215 373 H LYS 50 HN LYS 50 48.533 4.655 2.737 374 HA LYS 50 HA LYS 50 50.342 2.944 1.227 375 1HB LYS 50 HB1 LYS 50 50.741 5.800 2.166 376 2HB LYS 50 HB2 LYS 50 49.707 5.375 0.801 377 1HG LYS 50 HG1 LYS 50 51.648 5.657 -0.383 378 2HG LYS 50 HG2 LYS 50 51.947 3.998 0.138 379 1HD LYS 50 HD1 LYS 50 53.391 4.678 1.872 380 2HD LYS 50 HD2 LYS 50 52.767 6.327 1.868 381 1HE LYS 50 HE1 LYS 50 53.811 5.764 -0.755 382 2HE LYS 50 HE2 LYS 50 55.034 5.314 0.449 383 1HZ LYS 50 HZ1 LYS 50 53.488 7.852 0.526 384 2HZ LYS 50 HZ2 LYS 50 55.026 7.723 -0.184 385 3HZ LYS 50 HZ3 LYS 50 54.827 7.438 1.479 386 H ASP 51 HN ASP 51 50.541 4.702 4.324 387 HA ASP 51 HA ASP 51 53.248 4.017 4.977 388 1HB ASP 51 HB1 ASP 51 51.014 4.374 6.976 389 2HB ASP 51 HB2 ASP 51 51.544 5.724 5.977 390 H ARG 52 HN ARG 52 50.159 2.382 5.618 391 HA ARG 52 HA ARG 52 51.150 0.331 7.354 392 1HB ARG 52 HB1 ARG 52 48.784 0.627 5.487 393 2HB ARG 52 HB2 ARG 52 48.811 0.804 7.236 394 1HG ARG 52 HG1 ARG 52 49.088 -1.771 5.662 395 2HG ARG 52 HG2 ARG 52 47.758 -1.311 6.715 396 1HD ARG 52 HD1 ARG 52 50.121 -1.124 8.295 397 2HD ARG 52 HD2 ARG 52 50.210 -2.666 7.422 398 HE ARG 52 HE ARG 52 47.757 -2.957 8.234 399 1HH1 ARG 52 HH11 ARG 52 47.777 -0.319 9.727 400 2HH1 ARG 52 HH12 ARG 52 48.095 -0.844 11.346 401 1HH2 ARG 52 HH21 ARG 52 49.187 -3.994 10.397 402 2HH2 ARG 52 HH22 ARG 52 48.893 -2.923 11.726 403 H TYR 53 HN TYR 53 50.865 0.468 3.789 404 HA TYR 53 HA TYR 53 51.597 -2.262 3.290 405 1HB TYR 53 HB1 TYR 53 52.277 0.020 1.458 406 2HB TYR 53 HB2 TYR 53 50.589 -0.382 1.778 407 HD1 TYR 53 HD1 TYR 53 49.757 -2.704 1.287 408 HD2 TYR 53 HD2 TYR 53 53.649 -1.358 0.073 409 HE1 TYR 53 HE1 TYR 53 49.913 -4.598 -0.304 410 HE2 TYR 53 HE2 TYR 53 53.808 -3.250 -1.520 411 HH TYR 53 HH TYR 53 51.131 -5.151 -2.387 412 H LEU 54 HN LEU 54 53.546 0.697 3.640 413 HA LEU 54 HA LEU 54 56.057 -0.791 3.152 414 1HB LEU 54 HB1 LEU 54 57.007 1.517 3.482 415 2HB LEU 54 HB2 LEU 54 55.367 2.087 3.797 416 HG LEU 54 HG LEU 54 54.754 1.019 1.534 417 1HD1 LEU 54 HD11 LEU 54 55.306 3.020 0.359 418 2HD1 LEU 54 HD12 LEU 54 56.734 3.300 1.356 419 3HD1 LEU 54 HD13 LEU 54 55.123 3.503 2.045 420 1HD2 LEU 54 HD21 LEU 54 57.005 1.192 0.077 421 2HD2 LEU 54 HD22 LEU 54 56.507 -0.312 0.852 422 3HD2 LEU 54 HD23 LEU 54 57.721 0.714 1.616 423 H LYS 55 HN LYS 55 54.095 0.188 5.849 424 HA LYS 55 HA LYS 55 56.125 0.439 7.864 425 1HB LYS 55 HB1 LYS 55 53.941 -0.381 9.227 426 2HB LYS 55 HB2 LYS 55 53.182 0.025 7.686 427 1HG LYS 55 HG1 LYS 55 53.130 2.117 8.644 428 2HG LYS 55 HG2 LYS 55 54.756 2.187 7.964 429 1HD LYS 55 HD1 LYS 55 55.607 1.269 10.166 430 2HD LYS 55 HD2 LYS 55 53.981 1.498 10.811 431 1HE LYS 55 HE1 LYS 55 54.498 3.950 9.621 432 2HE LYS 55 HE2 LYS 55 56.081 3.495 10.286 433 1HZ LYS 55 HZ1 LYS 55 54.549 4.617 11.900 434 2HZ LYS 55 HZ2 LYS 55 55.092 3.088 12.402 435 3HZ LYS 55 HZ3 LYS 55 53.521 3.274 11.784 436 H HIS 56 HN HIS 56 54.150 -2.372 6.819 437 HA HIS 56 HA HIS 56 56.290 -4.208 7.507 438 1HB HIS 56 HB1 HIS 56 55.581 -3.716 9.753 439 2HB HIS 56 HB2 HIS 56 55.010 -5.329 9.357 440 HD1 HIS 56 HD1 HIS 56 53.444 -4.340 11.526 441 HD2 HIS 56 HD2 HIS 56 52.539 -3.129 7.647 442 HE1 HIS 56 HE1 HIS 56 51.047 -3.536 11.571 443 H LEU 57 HN LEU 57 54.778 -3.885 5.135 444 HA LEU 57 HA LEU 57 53.328 -6.512 5.064 445 1HB LEU 57 HB1 LEU 57 51.858 -5.382 3.332 446 2HB LEU 57 HB2 LEU 57 52.640 -3.863 3.768 447 HG LEU 57 HG LEU 57 51.929 -4.203 6.120 448 1HD1 LEU 57 HD11 LEU 57 49.438 -3.945 5.684 449 2HD1 LEU 57 HD12 LEU 57 49.789 -4.255 3.984 450 3HD1 LEU 57 HD13 LEU 57 50.481 -2.847 4.786 451 1HD2 LEU 57 HD21 LEU 57 51.666 -6.485 6.487 452 2HD2 LEU 57 HD22 LEU 57 50.875 -6.747 4.932 453 3HD2 LEU 57 HD23 LEU 57 49.984 -6.003 6.260 454 H ARG 58 HN ARG 58 54.900 -4.013 3.018 455 HA ARG 58 HA ARG 58 55.328 -5.567 0.694 456 1HB ARG 58 HB1 ARG 58 55.692 -3.140 0.895 457 2HB ARG 58 HB2 ARG 58 57.141 -3.926 0.271 458 1HG ARG 58 HG1 ARG 58 56.929 -3.642 3.234 459 2HG ARG 58 HG2 ARG 58 57.220 -2.170 2.311 460 1HD ARG 58 HD1 ARG 58 58.950 -4.150 1.217 461 2HD ARG 58 HD2 ARG 58 59.094 -4.262 2.982 462 HE ARG 58 HE ARG 58 59.225 -1.607 2.725 463 1HH1 ARG 58 HH11 ARG 58 59.793 -3.024 -0.200 464 2HH1 ARG 58 HH12 ARG 58 61.434 -2.499 -0.367 465 1HH2 ARG 58 HH21 ARG 58 61.686 -1.362 2.898 466 2HH2 ARG 58 HH22 ARG 58 62.507 -1.562 1.386 467 H GLY 59 HN GLY 59 57.446 -6.488 -0.063 468 1HA GLY 59 HA1 GLY 59 58.959 -7.773 2.178 469 2HA GLY 59 HA2 GLY 59 59.699 -7.336 0.638 Start of MODEL 13 1 1H GLY 1 HT1 GLY 1 43.024 12.022 9.204 2 2H GLY 1 HT2 GLY 1 43.928 10.716 9.810 3 3H GLY 1 HT3 GLY 1 43.511 12.011 10.827 4 1HA GLY 1 HA1 GLY 1 41.086 11.239 9.967 5 2HA GLY 1 HA2 GLY 1 41.819 10.730 11.487 6 H ARG 2 HN ARG 2 42.269 8.574 11.741 7 HA ARG 2 HA ARG 2 41.492 6.720 9.582 8 1HB ARG 2 HB1 ARG 2 43.814 7.314 9.038 9 2HB ARG 2 HB2 ARG 2 43.736 5.640 9.585 10 1HG ARG 2 HG1 ARG 2 45.170 6.088 11.267 11 2HG ARG 2 HG2 ARG 2 44.107 7.356 11.875 12 1HD ARG 2 HD1 ARG 2 45.169 8.701 9.803 13 2HD ARG 2 HD2 ARG 2 46.509 7.577 10.110 14 HE ARG 2 HE ARG 2 45.279 9.135 12.356 15 1HH1 ARG 2 HH11 ARG 2 47.533 10.176 10.380 16 2HH1 ARG 2 HH12 ARG 2 48.906 10.000 11.421 17 1HH2 ARG 2 HH21 ARG 2 47.233 8.037 13.738 18 2HH2 ARG 2 HH22 ARG 2 48.736 8.790 13.321 19 H ILE 3 HN ILE 3 41.741 4.391 10.412 20 HA ILE 3 HA ILE 3 41.532 4.264 13.400 21 HB ILE 3 HB ILE 3 39.629 2.698 13.054 22 1HG1 ILE 3 HG11 ILE 3 40.459 2.012 10.724 23 2HG1 ILE 3 HG12 ILE 3 39.732 3.509 10.139 24 1HG2 ILE 3 HG21 ILE 3 38.985 5.129 11.424 25 2HG2 ILE 3 HG22 ILE 3 39.494 5.330 13.100 26 3HG2 ILE 3 HG23 ILE 3 38.058 4.378 12.722 27 1HD1 ILE 3 HD11 ILE 3 37.593 2.738 10.442 28 2HD1 ILE 3 HD12 ILE 3 38.019 1.815 11.884 29 3HD1 ILE 3 HD13 ILE 3 38.377 1.166 10.283 30 H ALA 4 HN ALA 4 41.092 1.460 13.499 31 HA ALA 4 HA ALA 4 43.810 0.494 12.898 32 1HB ALA 4 HB1 ALA 4 41.531 -1.074 14.089 33 2HB ALA 4 HB2 ALA 4 42.335 0.187 15.022 34 3HB ALA 4 HB3 ALA 4 43.254 -1.200 14.439 35 H PHE 5 HN PHE 5 43.804 -1.948 12.139 36 HA PHE 5 HA PHE 5 41.926 -2.250 9.816 37 1HB PHE 5 HB1 PHE 5 43.967 -3.252 8.680 38 2HB PHE 5 HB2 PHE 5 44.917 -2.694 10.056 39 HD1 PHE 5 HD1 PHE 5 43.564 -1.816 6.879 40 HD2 PHE 5 HD2 PHE 5 44.692 -0.168 10.680 41 HE1 PHE 5 HE1 PHE 5 43.706 0.440 5.857 42 HE2 PHE 5 HE2 PHE 5 44.832 2.088 9.661 43 HZ PHE 5 HZ PHE 5 44.340 2.392 7.249 44 H THR 6 HN THR 6 40.950 -4.254 9.731 45 HA THR 6 HA THR 6 41.848 -6.318 11.697 46 HB THR 6 HB THR 6 39.543 -5.466 11.871 47 HG1 THR 6 HG1 THR 6 38.509 -7.482 11.718 48 1HG2 THR 6 HG21 THR 6 39.645 -5.824 8.966 49 2HG2 THR 6 HG22 THR 6 38.583 -4.804 9.935 50 3HG2 THR 6 HG23 THR 6 38.189 -6.505 9.692 51 H ASP 7 HN ASP 7 40.507 -8.499 10.392 52 HA ASP 7 HA ASP 7 42.558 -9.308 8.494 53 1HB ASP 7 HB1 ASP 7 41.093 -11.349 8.376 54 2HB ASP 7 HB2 ASP 7 39.910 -10.501 9.371 55 H ALA 8 HN ALA 8 39.141 -8.334 8.218 56 HA ALA 8 HA ALA 8 38.789 -8.915 5.438 57 1HB ALA 8 HB1 ALA 8 36.779 -8.454 6.434 58 2HB ALA 8 HB2 ALA 8 37.131 -6.799 5.935 59 3HB ALA 8 HB3 ALA 8 37.499 -7.323 7.579 60 H ASP 9 HN ASP 9 39.491 -5.760 7.002 61 HA ASP 9 HA ASP 9 39.860 -4.226 4.654 62 1HB ASP 9 HB1 ASP 9 41.185 -2.758 6.190 63 2HB ASP 9 HB2 ASP 9 41.181 -4.057 7.382 64 H ASP 10 HN ASP 10 42.124 -6.368 6.339 65 HA ASP 10 HA ASP 10 44.537 -5.573 5.027 66 1HB ASP 10 HB1 ASP 10 44.966 -8.169 5.540 67 2HB ASP 10 HB2 ASP 10 43.471 -7.974 6.456 68 H VAL 11 HN VAL 11 42.132 -8.077 4.168 69 HA VAL 11 HA VAL 11 43.455 -9.018 1.800 70 HB VAL 11 HB VAL 11 40.516 -8.938 2.573 71 1HG1 VAL 11 HG11 VAL 11 40.319 -10.892 1.065 72 2HG1 VAL 11 HG12 VAL 11 42.013 -10.704 0.612 73 3HG1 VAL 11 HG13 VAL 11 40.844 -9.454 0.189 74 1HG2 VAL 11 HG21 VAL 11 41.248 -11.440 3.117 75 2HG2 VAL 11 HG22 VAL 11 41.483 -10.153 4.298 76 3HG2 VAL 11 HG23 VAL 11 42.834 -10.692 3.301 77 H ALA 12 HN ALA 12 41.050 -6.446 2.334 78 HA ALA 12 HA ALA 12 40.560 -5.799 -0.416 79 1HB ALA 12 HB1 ALA 12 40.177 -4.607 2.274 80 2HB ALA 12 HB2 ALA 12 39.025 -4.782 0.950 81 3HB ALA 12 HB3 ALA 12 40.190 -3.458 0.936 82 H ILE 13 HN ILE 13 42.977 -4.612 1.918 83 HA ILE 13 HA ILE 13 44.124 -2.619 0.151 84 HB ILE 13 HB ILE 13 45.159 -4.074 2.613 85 1HG1 ILE 13 HG11 ILE 13 43.047 -2.717 2.844 86 2HG1 ILE 13 HG12 ILE 13 43.958 -1.306 2.309 87 1HG2 ILE 13 HG21 ILE 13 47.132 -3.140 1.879 88 2HG2 ILE 13 HG22 ILE 13 46.448 -1.703 2.637 89 3HG2 ILE 13 HG23 ILE 13 46.312 -1.929 0.894 90 1HD1 ILE 13 HD11 ILE 13 45.236 -1.228 4.250 91 2HD1 ILE 13 HD12 ILE 13 45.035 -2.950 4.574 92 3HD1 ILE 13 HD13 ILE 13 43.708 -1.833 4.890 93 H LEU 14 HN LEU 14 44.703 -6.057 0.715 94 HA LEU 14 HA LEU 14 47.213 -6.149 -0.786 95 1HB LEU 14 HB1 LEU 14 45.242 -8.234 0.207 96 2HB LEU 14 HB2 LEU 14 46.718 -7.714 1.016 97 HG LEU 14 HG LEU 14 46.684 -9.008 -1.722 98 1HD1 LEU 14 HD11 LEU 14 48.643 -7.520 -0.604 99 2HD1 LEU 14 HD12 LEU 14 48.980 -8.906 -1.638 100 3HD1 LEU 14 HD13 LEU 14 49.027 -9.084 0.115 101 1HD2 LEU 14 HD21 LEU 14 47.296 -10.279 0.966 102 2HD2 LEU 14 HD22 LEU 14 47.341 -11.078 -0.607 103 3HD2 LEU 14 HD23 LEU 14 45.803 -10.528 0.060 104 H THR 15 HN THR 15 43.993 -7.597 -1.418 105 HA THR 15 HA THR 15 44.352 -8.367 -4.095 106 HB THR 15 HB THR 15 41.843 -7.169 -2.882 107 HG1 THR 15 HG1 THR 15 41.756 -8.847 -1.632 108 1HG2 THR 15 HG21 THR 15 41.109 -9.374 -4.310 109 2HG2 THR 15 HG22 THR 15 42.479 -8.803 -5.262 110 3HG2 THR 15 HG23 THR 15 41.108 -7.735 -4.961 111 H TYR 16 HN TYR 16 43.017 -5.227 -2.955 112 HA TYR 16 HA TYR 16 42.619 -3.981 -5.456 113 1HB TYR 16 HB1 TYR 16 43.597 -2.779 -2.844 114 2HB TYR 16 HB2 TYR 16 41.913 -3.133 -3.233 115 HD1 TYR 16 HD1 TYR 16 40.627 -1.679 -4.641 116 HD2 TYR 16 HD2 TYR 16 44.854 -1.073 -4.177 117 HE1 TYR 16 HE1 TYR 16 40.439 0.517 -5.779 118 HE2 TYR 16 HE2 TYR 16 44.666 1.122 -5.315 119 HH TYR 16 HH TYR 16 41.879 2.069 -7.027 120 H VAL 17 HN VAL 17 45.557 -3.888 -3.413 121 HA VAL 17 HA VAL 17 47.171 -2.343 -5.217 122 HB VAL 17 HB VAL 17 47.797 -4.375 -3.044 123 1HG1 VAL 17 HG11 VAL 17 49.730 -4.079 -4.581 124 2HG1 VAL 17 HG12 VAL 17 50.049 -3.415 -2.979 125 3HG1 VAL 17 HG13 VAL 17 49.649 -2.337 -4.316 126 1HG2 VAL 17 HG21 VAL 17 46.531 -2.086 -2.682 127 2HG2 VAL 17 HG22 VAL 17 48.150 -1.403 -2.845 128 3HG2 VAL 17 HG23 VAL 17 47.811 -2.573 -1.569 129 H LYS 18 HN LYS 18 46.864 -5.880 -4.751 130 HA LYS 18 HA LYS 18 48.784 -6.699 -6.695 131 1HB LYS 18 HB1 LYS 18 46.326 -8.326 -6.355 132 2HB LYS 18 HB2 LYS 18 47.150 -7.879 -4.860 133 1HG LYS 18 HG1 LYS 18 48.630 -9.060 -7.220 134 2HG LYS 18 HG2 LYS 18 47.905 -10.069 -5.968 135 1HD LYS 18 HD1 LYS 18 49.305 -9.155 -4.277 136 2HD LYS 18 HD2 LYS 18 49.785 -7.799 -5.296 137 1HE LYS 18 HE1 LYS 18 50.779 -9.619 -6.875 138 2HE LYS 18 HE2 LYS 18 50.657 -10.687 -5.463 139 1HZ LYS 18 HZ1 LYS 18 51.807 -8.926 -4.177 140 2HZ LYS 18 HZ2 LYS 18 52.035 -8.050 -5.615 141 3HZ LYS 18 HZ3 LYS 18 52.773 -9.567 -5.416 142 H GLU 19 HN GLU 19 45.588 -5.355 -7.106 143 HA GLU 19 HA GLU 19 45.185 -6.420 -9.808 144 1HB GLU 19 HB1 GLU 19 43.436 -4.320 -9.450 145 2HB GLU 19 HB2 GLU 19 43.773 -4.803 -7.787 146 1HG GLU 19 HG1 GLU 19 43.130 -6.886 -9.862 147 2HG GLU 19 HG2 GLU 19 41.828 -5.983 -9.089 148 H ASN 20 HN ASN 20 45.623 -3.087 -8.523 149 HA ASN 20 HA ASN 20 46.396 -2.141 -11.217 150 1HB ASN 20 HB1 ASN 20 46.222 0.045 -10.228 151 2HB ASN 20 HB2 ASN 20 46.344 -0.612 -8.600 152 1HD2 ASN 20 HD21 ASN 20 44.331 -0.304 -7.646 153 2HD2 ASN 20 HD22 ASN 20 42.844 -0.681 -8.369 154 H ALA 21 HN ALA 21 47.847 -1.970 -7.939 155 HA ALA 21 HA ALA 21 50.384 -1.001 -8.615 156 1HB ALA 21 HB1 ALA 21 50.322 -3.128 -6.568 157 2HB ALA 21 HB2 ALA 21 49.085 -1.883 -6.377 158 3HB ALA 21 HB3 ALA 21 50.790 -1.435 -6.417 159 H ARG 22 HN ARG 22 52.070 -1.808 -9.754 160 HA ARG 22 HA ARG 22 52.623 -4.704 -9.854 161 1HB ARG 22 HB1 ARG 22 52.627 -3.930 -12.564 162 2HB ARG 22 HB2 ARG 22 51.150 -3.233 -11.898 163 1HG ARG 22 HG1 ARG 22 50.526 -5.447 -10.988 164 2HG ARG 22 HG2 ARG 22 52.000 -6.137 -11.669 165 1HD ARG 22 HD1 ARG 22 51.078 -5.081 -13.921 166 2HD ARG 22 HD2 ARG 22 49.521 -5.191 -13.074 167 HE ARG 22 HE ARG 22 51.352 -7.501 -13.614 168 1HH1 ARG 22 HH11 ARG 22 49.246 -8.191 -15.123 169 2HH1 ARG 22 HH12 ARG 22 48.003 -8.807 -14.085 170 1HH2 ARG 22 HH21 ARG 22 49.352 -7.417 -11.207 171 2HH2 ARG 22 HH22 ARG 22 48.063 -8.368 -11.865 172 H SER 23 HN SER 23 53.360 -1.503 -11.254 173 HA SER 23 HA SER 23 56.208 -2.222 -11.602 174 1HB SER 23 HB1 SER 23 54.584 -0.825 -13.130 175 2HB SER 23 HB2 SER 23 56.254 -0.298 -12.950 176 HG SER 23 HG SER 23 55.416 1.498 -12.300 177 HA PRO 24 HA PRO 24 57.520 -0.208 -7.906 178 1HB PRO 24 HB1 PRO 24 59.704 -0.698 -8.493 179 2HB PRO 24 HB2 PRO 24 59.825 1.065 -8.637 180 1HG PRO 24 HG1 PRO 24 60.357 -0.636 -10.672 181 2HG PRO 24 HG2 PRO 24 59.735 1.001 -10.916 182 1HD PRO 24 HD1 PRO 24 58.398 -1.587 -11.297 183 2HD PRO 24 HD2 PRO 24 57.978 0.010 -11.948 184 H SER 25 HN SER 25 55.464 1.270 -8.681 185 HA SER 25 HA SER 25 56.310 4.062 -8.189 186 1HB SER 25 HB1 SER 25 56.453 3.699 -10.644 187 2HB SER 25 HB2 SER 25 55.188 4.855 -10.234 188 HG SER 25 HG SER 25 54.523 3.212 -11.734 189 H SER 26 HN SER 26 53.565 1.934 -9.051 190 HA SER 26 HA SER 26 51.511 3.569 -7.876 191 1HB SER 26 HB1 SER 26 50.797 1.958 -9.416 192 2HB SER 26 HB2 SER 26 50.376 1.189 -7.888 193 HG SER 26 HG SER 26 51.934 0.215 -9.726 194 H VAL 27 HN VAL 27 53.740 1.201 -6.538 195 HA VAL 27 HA VAL 27 52.266 0.983 -3.992 196 HB VAL 27 HB VAL 27 54.146 -0.541 -3.430 197 1HG1 VAL 27 HG11 VAL 27 53.335 -1.148 -6.262 198 2HG1 VAL 27 HG12 VAL 27 52.126 -1.121 -4.978 199 3HG1 VAL 27 HG13 VAL 27 53.480 -2.247 -4.890 200 1HG2 VAL 27 HG21 VAL 27 55.664 0.988 -5.087 201 2HG2 VAL 27 HG22 VAL 27 55.277 -0.343 -6.171 202 3HG2 VAL 27 HG23 VAL 27 56.089 -0.662 -4.640 203 H THR 28 HN THR 28 54.835 2.930 -5.322 204 HA THR 28 HA THR 28 55.650 3.843 -2.596 205 HB THR 28 HB THR 28 57.566 4.814 -3.882 206 HG1 THR 28 HG1 THR 28 57.142 5.111 -5.907 207 1HG2 THR 28 HG21 THR 28 57.395 2.007 -4.855 208 2HG2 THR 28 HG22 THR 28 57.211 2.258 -3.120 209 3HG2 THR 28 HG23 THR 28 58.674 2.805 -3.938 210 H GLY 29 HN GLY 29 54.579 5.061 -5.775 211 1HA GLY 29 HA1 GLY 29 53.690 7.152 -6.394 212 2HA GLY 29 HA2 GLY 29 54.407 7.826 -4.929 213 H ASN 30 HN ASN 30 52.240 8.994 -4.888 214 HA ASN 30 HA ASN 30 50.328 7.427 -3.230 215 1HB ASN 30 HB1 ASN 30 49.520 9.710 -2.646 216 2HB ASN 30 HB2 ASN 30 50.672 10.386 -3.798 217 1HD2 ASN 30 HD21 ASN 30 51.944 11.462 -2.129 218 2HD2 ASN 30 HD22 ASN 30 52.888 10.586 -1.024 219 H ALA 31 HN ALA 31 50.403 7.091 -6.185 220 HA ALA 31 HA ALA 31 48.001 8.505 -7.177 221 1HB ALA 31 HB1 ALA 31 49.583 6.325 -8.543 222 2HB ALA 31 HB2 ALA 31 50.207 7.970 -8.422 223 3HB ALA 31 HB3 ALA 31 48.699 7.659 -9.282 224 H LEU 32 HN LEU 32 49.008 5.061 -7.030 225 HA LEU 32 HA LEU 32 46.439 3.944 -7.527 226 1HB LEU 32 HB1 LEU 32 48.319 2.529 -5.692 227 2HB LEU 32 HB2 LEU 32 48.970 3.018 -7.259 228 HG LEU 32 HG LEU 32 46.297 1.660 -7.131 229 1HD1 LEU 32 HD11 LEU 32 48.206 2.479 -9.145 230 2HD1 LEU 32 HD12 LEU 32 46.581 1.830 -9.359 231 3HD1 LEU 32 HD13 LEU 32 47.956 0.735 -9.238 232 1HD2 LEU 32 HD21 LEU 32 48.303 0.479 -5.809 233 2HD2 LEU 32 HD22 LEU 32 48.753 -0.005 -7.441 234 3HD2 LEU 32 HD23 LEU 32 47.175 -0.451 -6.795 235 H TRP 33 HN TRP 33 47.984 4.936 -4.484 236 HA TRP 33 HA TRP 33 45.932 3.861 -2.741 237 1HB TRP 33 HB1 TRP 33 47.117 5.120 -1.033 238 2HB TRP 33 HB2 TRP 33 47.851 6.165 -2.246 239 HD1 TRP 33 HD1 TRP 33 50.157 5.499 -3.031 240 HE1 TRP 33 HE1 TRP 33 51.609 3.375 -2.959 241 HE3 TRP 33 HE3 TRP 33 46.814 2.221 -0.996 242 HZ2 TRP 33 HZ2 TRP 33 51.384 0.653 -2.150 243 HZ3 TRP 33 HZ3 TRP 33 47.468 -0.134 -0.583 244 HH2 TRP 33 HH2 TRP 33 49.745 -0.922 -1.154 245 H LYS 34 HN LYS 34 46.640 7.204 -3.878 246 HA LYS 34 HA LYS 34 44.438 8.547 -2.722 247 1HB LYS 34 HB1 LYS 34 44.737 9.910 -4.995 248 2HB LYS 34 HB2 LYS 34 46.147 8.867 -5.163 249 1HG LYS 34 HG1 LYS 34 47.060 10.651 -3.974 250 2HG LYS 34 HG2 LYS 34 46.577 9.589 -2.650 251 1HD LYS 34 HD1 LYS 34 44.739 10.907 -2.092 252 2HD LYS 34 HD2 LYS 34 44.595 11.575 -3.717 253 1HE LYS 34 HE1 LYS 34 47.152 12.247 -2.416 254 2HE LYS 34 HE2 LYS 34 45.733 12.897 -1.573 255 1HZ LYS 34 HZ1 LYS 34 46.548 14.319 -3.434 256 2HZ LYS 34 HZ2 LYS 34 44.935 13.819 -3.618 257 3HZ LYS 34 HZ3 LYS 34 46.168 13.067 -4.513 258 H ALA 35 HN ALA 35 44.608 6.675 -5.745 259 HA ALA 35 HA ALA 35 41.996 7.279 -6.756 260 1HB ALA 35 HB1 ALA 35 42.374 5.059 -7.950 261 2HB ALA 35 HB2 ALA 35 43.844 4.882 -6.993 262 3HB ALA 35 HB3 ALA 35 43.685 6.224 -8.127 263 H MET 36 HN MET 36 43.166 4.926 -4.390 264 HA MET 36 HA MET 36 40.680 3.448 -4.141 265 1HB MET 36 HB1 MET 36 42.700 3.708 -1.935 266 2HB MET 36 HB2 MET 36 43.204 2.968 -3.456 267 1HG MET 36 HG1 MET 36 41.886 1.115 -3.146 268 2HG MET 36 HG2 MET 36 40.613 2.028 -2.338 269 1HE MET 36 HE1 MET 36 44.045 -0.310 -1.000 270 2HE MET 36 HE2 MET 36 44.699 1.326 -1.039 271 3HE MET 36 HE3 MET 36 43.900 0.670 -2.465 272 H GLU 37 HN GLU 37 42.207 6.059 -2.218 273 HA GLU 37 HA GLU 37 40.280 6.324 -0.169 274 1HB GLU 37 HB1 GLU 37 41.966 8.386 -1.626 275 2HB GLU 37 HB2 GLU 37 42.427 7.465 -0.197 276 1HG GLU 37 HG1 GLU 37 41.682 9.258 0.977 277 2HG GLU 37 HG2 GLU 37 40.069 8.639 0.617 278 H LYS 38 HN LYS 38 40.107 7.332 -3.537 279 HA LYS 38 HA LYS 38 37.725 9.013 -3.123 280 1HB LYS 38 HB1 LYS 38 37.884 8.852 -5.748 281 2HB LYS 38 HB2 LYS 38 39.450 8.108 -5.420 282 1HG LYS 38 HG1 LYS 38 39.981 10.108 -3.960 283 2HG LYS 38 HG2 LYS 38 38.501 10.857 -4.559 284 1HD LYS 38 HD1 LYS 38 40.255 9.782 -6.677 285 2HD LYS 38 HD2 LYS 38 40.969 11.099 -5.750 286 1HE LYS 38 HE1 LYS 38 39.460 12.644 -6.554 287 2HE LYS 38 HE2 LYS 38 38.133 11.466 -6.609 288 1HZ LYS 38 HZ1 LYS 38 39.174 10.416 -8.502 289 2HZ LYS 38 HZ2 LYS 38 40.507 11.465 -8.411 290 3HZ LYS 38 HZ3 LYS 38 38.977 12.065 -8.840 291 H SER 39 HN SER 39 38.507 5.776 -4.347 292 HA SER 39 HA SER 39 35.631 5.025 -4.083 293 1HB SER 39 HB1 SER 39 37.386 4.480 -6.503 294 2HB SER 39 HB2 SER 39 36.142 5.725 -6.434 295 HG SER 39 HG SER 39 35.860 3.111 -6.918 296 H SER 40 HN SER 40 37.011 4.136 -2.122 297 HA SER 40 HA SER 40 38.595 1.720 -2.758 298 1HB SER 40 HB1 SER 40 39.506 3.029 -1.029 299 2HB SER 40 HB2 SER 40 38.655 1.771 -0.143 300 HG SER 40 HG SER 40 36.867 3.194 0.014 301 H LEU 41 HN LEU 41 38.068 -0.343 -1.724 302 HA LEU 41 HA LEU 41 35.290 -1.111 -2.019 303 1HB LEU 41 HB1 LEU 41 37.209 -2.792 -0.481 304 2HB LEU 41 HB2 LEU 41 37.695 -2.354 -2.118 305 HG LEU 41 HG LEU 41 35.070 -3.067 -2.503 306 1HD1 LEU 41 HD11 LEU 41 37.584 -4.751 -2.602 307 2HD1 LEU 41 HD12 LEU 41 36.862 -3.826 -3.918 308 3HD1 LEU 41 HD13 LEU 41 36.047 -5.263 -3.300 309 1HD2 LEU 41 HD21 LEU 41 36.153 -5.161 -0.621 310 2HD2 LEU 41 HD22 LEU 41 34.499 -4.945 -1.193 311 3HD2 LEU 41 HD23 LEU 41 35.177 -3.822 -0.015 312 H THR 42 HN THR 42 37.332 -0.162 0.684 313 HA THR 42 HA THR 42 35.071 -0.684 2.584 314 HB THR 42 HB THR 42 36.859 -0.754 4.285 315 HG1 THR 42 HG1 THR 42 38.487 0.459 3.745 316 1HG2 THR 42 HG21 THR 42 36.314 -2.772 2.795 317 2HG2 THR 42 HG22 THR 42 37.860 -2.808 3.643 318 3HG2 THR 42 HG23 THR 42 37.804 -2.391 1.931 319 H GLN 43 HN GLN 43 36.152 1.052 4.618 320 HA GLN 43 HA GLN 43 35.679 3.733 3.359 321 1HB GLN 43 HB1 GLN 43 34.964 4.092 5.919 322 2HB GLN 43 HB2 GLN 43 34.739 2.344 5.833 323 1HG GLN 43 HG1 GLN 43 32.639 3.270 5.202 324 2HG GLN 43 HG2 GLN 43 33.401 2.788 3.686 325 1HE2 GLN 43 HE21 GLN 43 33.217 5.683 5.848 326 2HE2 GLN 43 HE22 GLN 43 33.184 6.807 4.576 327 H HIS 44 HN HIS 44 38.088 3.828 3.057 328 HA HIS 44 HA HIS 44 39.419 4.796 5.549 329 1HB HIS 44 HB1 HIS 44 41.413 3.419 4.184 330 2HB HIS 44 HB2 HIS 44 39.992 2.398 3.941 331 HD1 HIS 44 HD1 HIS 44 42.292 3.692 6.593 332 HD2 HIS 44 HD2 HIS 44 38.906 1.275 6.337 333 HE1 HIS 44 HE1 HIS 44 42.049 2.568 8.843 334 H SER 45 HN SER 45 41.711 5.684 4.818 335 HA SER 45 HA SER 45 41.231 7.438 2.432 336 1HB SER 45 HB1 SER 45 41.629 8.878 4.193 337 2HB SER 45 HB2 SER 45 43.296 8.592 3.713 338 HG SER 45 HG SER 45 43.299 6.836 5.251 339 H TRP 46 HN TRP 46 43.807 8.197 1.835 340 HA TRP 46 HA TRP 46 44.944 5.668 0.767 341 1HB TRP 46 HB1 TRP 46 44.296 7.835 -0.548 342 2HB TRP 46 HB2 TRP 46 45.812 7.042 -0.950 343 HD1 TRP 46 HD1 TRP 46 44.422 10.299 0.255 344 HE1 TRP 46 HE1 TRP 46 46.366 11.927 0.753 345 HE3 TRP 46 HE3 TRP 46 48.338 7.050 0.036 346 HZ2 TRP 46 HZ2 TRP 46 49.226 11.844 1.024 347 HZ3 TRP 46 HZ3 TRP 46 50.661 7.838 0.420 348 HH2 TRP 46 HH2 TRP 46 51.108 10.223 0.915 349 H GLN 47 HN GLN 47 45.785 8.401 2.855 350 HA GLN 47 HA GLN 47 48.578 8.012 3.148 351 1HB GLN 47 HB1 GLN 47 47.974 8.975 5.526 352 2HB GLN 47 HB2 GLN 47 46.346 9.085 4.856 353 1HG GLN 47 HG1 GLN 47 46.987 10.635 3.225 354 2HG GLN 47 HG2 GLN 47 48.681 10.148 3.286 355 1HE2 GLN 47 HE21 GLN 47 47.202 12.854 3.791 356 2HE2 GLN 47 HE22 GLN 47 47.851 13.382 5.267 357 H SER 48 HN SER 48 46.160 6.957 5.583 358 HA SER 48 HA SER 48 47.842 5.162 6.992 359 1HB SER 48 HB1 SER 48 44.958 4.485 6.603 360 2HB SER 48 HB2 SER 48 45.325 6.079 7.256 361 HG SER 48 HG SER 48 45.145 4.083 8.713 362 H LEU 49 HN LEU 49 46.115 4.781 3.972 363 HA LEU 49 HA LEU 49 46.197 1.918 3.721 364 1HB LEU 49 HB1 LEU 49 46.484 3.492 1.251 365 2HB LEU 49 HB2 LEU 49 45.243 4.134 2.320 366 HG LEU 49 HG LEU 49 44.351 2.475 0.711 367 1HD1 LEU 49 HD11 LEU 49 46.486 1.082 0.717 368 2HD1 LEU 49 HD12 LEU 49 44.982 0.165 0.792 369 3HD1 LEU 49 HD13 LEU 49 45.939 0.408 2.251 370 1HD2 LEU 49 HD21 LEU 49 43.903 2.633 3.489 371 2HD2 LEU 49 HD22 LEU 49 43.946 0.908 3.128 372 3HD2 LEU 49 HD23 LEU 49 42.813 1.959 2.279 373 H LYS 50 HN LYS 50 48.265 4.423 2.217 374 HA LYS 50 HA LYS 50 50.265 2.654 1.193 375 1HB LYS 50 HB1 LYS 50 50.417 5.556 2.091 376 2HB LYS 50 HB2 LYS 50 49.901 5.004 0.498 377 1HG LYS 50 HG1 LYS 50 52.105 5.354 -0.019 378 2HG LYS 50 HG2 LYS 50 52.298 3.745 0.678 379 1HD LYS 50 HD1 LYS 50 53.294 4.549 2.581 380 2HD LYS 50 HD2 LYS 50 52.312 6.014 2.599 381 1HE LYS 50 HE1 LYS 50 53.672 6.812 0.594 382 2HE LYS 50 HE2 LYS 50 54.764 5.447 0.903 383 1HZ LYS 50 HZ1 LYS 50 55.558 7.311 2.147 384 2HZ LYS 50 HZ2 LYS 50 54.849 6.240 3.259 385 3HZ LYS 50 HZ3 LYS 50 54.016 7.639 2.771 386 H ASP 51 HN ASP 51 50.029 4.425 4.269 387 HA ASP 51 HA ASP 51 52.572 3.888 5.372 388 1HB ASP 51 HB1 ASP 51 49.875 3.960 6.760 389 2HB ASP 51 HB2 ASP 51 50.788 5.385 6.264 390 H ARG 52 HN ARG 52 49.599 1.895 5.636 391 HA ARG 52 HA ARG 52 50.762 -0.164 7.259 392 1HB ARG 52 HB1 ARG 52 48.642 -1.024 5.426 393 2HB ARG 52 HB2 ARG 52 48.275 0.516 6.204 394 1HG ARG 52 HG1 ARG 52 47.448 -1.336 7.582 395 2HG ARG 52 HG2 ARG 52 48.764 -0.508 8.415 396 1HD ARG 52 HD1 ARG 52 49.724 -2.565 8.630 397 2HD ARG 52 HD2 ARG 52 50.057 -2.490 6.889 398 HE ARG 52 HE ARG 52 47.734 -3.508 6.594 399 1HH1 ARG 52 HH11 ARG 52 47.678 -3.179 9.798 400 2HH1 ARG 52 HH12 ARG 52 47.629 -4.860 10.214 401 1HH2 ARG 52 HH21 ARG 52 48.443 -5.947 7.024 402 2HH2 ARG 52 HH22 ARG 52 48.062 -6.426 8.644 403 H TYR 53 HN TYR 53 50.422 0.134 3.706 404 HA TYR 53 HA TYR 53 51.321 -2.450 2.973 405 1HB TYR 53 HB1 TYR 53 52.047 0.073 1.483 406 2HB TYR 53 HB2 TYR 53 50.372 -0.471 1.594 407 HD1 TYR 53 HD1 TYR 53 53.279 -0.666 -0.351 408 HD2 TYR 53 HD2 TYR 53 50.093 -3.117 1.160 409 HE1 TYR 53 HE1 TYR 53 53.699 -2.320 -2.150 410 HE2 TYR 53 HE2 TYR 53 50.509 -4.770 -0.638 411 HH TYR 53 HH TYR 53 51.948 -4.252 -3.316 412 H LEU 54 HN LEU 54 53.162 0.422 3.912 413 HA LEU 54 HA LEU 54 55.750 -0.914 3.381 414 1HB LEU 54 HB1 LEU 54 56.482 1.385 4.412 415 2HB LEU 54 HB2 LEU 54 54.781 1.810 4.216 416 HG LEU 54 HG LEU 54 55.197 0.778 1.786 417 1HD1 LEU 54 HD11 LEU 54 55.974 3.186 1.137 418 2HD1 LEU 54 HD12 LEU 54 55.787 3.529 2.856 419 3HD1 LEU 54 HD13 LEU 54 54.403 2.983 1.911 420 1HD2 LEU 54 HD21 LEU 54 57.884 2.032 2.348 421 2HD2 LEU 54 HD22 LEU 54 57.401 1.036 0.977 422 3HD2 LEU 54 HD23 LEU 54 57.631 0.300 2.563 423 H LYS 55 HN LYS 55 53.566 -0.273 6.045 424 HA LYS 55 HA LYS 55 55.305 -0.386 8.283 425 1HB LYS 55 HB1 LYS 55 53.121 -1.545 9.257 426 2HB LYS 55 HB2 LYS 55 52.456 -1.106 7.686 427 1HG LYS 55 HG1 LYS 55 52.184 1.019 8.379 428 2HG LYS 55 HG2 LYS 55 53.912 1.152 8.701 429 1HD LYS 55 HD1 LYS 55 52.081 -0.230 10.658 430 2HD LYS 55 HD2 LYS 55 52.253 1.525 10.672 431 1HE LYS 55 HE1 LYS 55 54.801 1.105 10.763 432 2HE LYS 55 HE2 LYS 55 54.384 -0.572 11.169 433 1HZ LYS 55 HZ1 LYS 55 52.934 0.304 12.933 434 2HZ LYS 55 HZ2 LYS 55 53.441 1.884 12.567 435 3HZ LYS 55 HZ3 LYS 55 54.552 0.752 13.176 436 H HIS 56 HN HIS 56 53.654 -3.068 6.573 437 HA HIS 56 HA HIS 56 55.853 -4.889 7.002 438 1HB HIS 56 HB1 HIS 56 55.077 -4.824 9.295 439 2HB HIS 56 HB2 HIS 56 54.639 -6.379 8.606 440 HD1 HIS 56 HD1 HIS 56 52.928 -6.060 10.794 441 HD2 HIS 56 HD2 HIS 56 52.069 -3.965 7.295 442 HE1 HIS 56 HE1 HIS 56 50.477 -5.442 10.912 443 H LEU 57 HN LEU 57 54.599 -4.335 4.663 444 HA LEU 57 HA LEU 57 53.170 -6.896 4.065 445 1HB LEU 57 HB1 LEU 57 51.650 -5.544 2.588 446 2HB LEU 57 HB2 LEU 57 52.395 -4.083 3.231 447 HG LEU 57 HG LEU 57 51.728 -4.787 5.518 448 1HD1 LEU 57 HD11 LEU 57 49.156 -4.630 4.997 449 2HD1 LEU 57 HD12 LEU 57 49.701 -4.371 3.341 450 3HD1 LEU 57 HD13 LEU 57 50.206 -3.264 4.618 451 1HD2 LEU 57 HD21 LEU 57 51.127 -7.253 4.112 452 2HD2 LEU 57 HD22 LEU 57 49.688 -6.672 4.949 453 3HD2 LEU 57 HD23 LEU 57 51.177 -6.954 5.849 454 H ARG 58 HN ARG 58 54.043 -4.009 2.140 455 HA ARG 58 HA ARG 58 55.300 -3.820 0.151 456 1HB ARG 58 HB1 ARG 58 57.293 -5.789 0.686 457 2HB ARG 58 HB2 ARG 58 56.777 -5.151 2.245 458 1HG ARG 58 HG1 ARG 58 57.964 -3.269 1.886 459 2HG ARG 58 HG2 ARG 58 57.043 -2.947 0.418 460 1HD ARG 58 HD1 ARG 58 58.620 -4.695 -0.698 461 2HD ARG 58 HD2 ARG 58 59.659 -4.428 0.714 462 HE ARG 58 HE ARG 58 58.858 -2.343 -1.272 463 1HH1 ARG 58 HH11 ARG 58 61.643 -3.504 -0.252 464 2HH1 ARG 58 HH12 ARG 58 62.251 -2.082 0.528 465 1HH2 ARG 58 HH21 ARG 58 59.199 -0.435 0.486 466 2HH2 ARG 58 HH22 ARG 58 60.866 -0.344 0.946 467 H GLY 59 HN GLY 59 56.736 -5.629 -1.351 468 1HA GLY 59 HA1 GLY 59 55.998 -6.919 -3.264 469 2HA GLY 59 HA2 GLY 59 54.590 -7.434 -2.336 Start of MODEL 14 1 1H GLY 1 HT1 GLY 1 47.493 1.542 15.579 2 2H GLY 1 HT2 GLY 1 48.739 0.414 15.322 3 3H GLY 1 HT3 GLY 1 48.726 1.365 16.730 4 1HA GLY 1 HA1 GLY 1 46.923 0.226 17.649 5 2HA GLY 1 HA2 GLY 1 47.966 -1.025 16.971 6 H ARG 2 HN ARG 2 47.388 -0.727 14.246 7 HA ARG 2 HA ARG 2 45.811 -1.361 12.605 8 1HB ARG 2 HB1 ARG 2 44.218 -3.084 13.418 9 2HB ARG 2 HB2 ARG 2 44.602 -2.640 15.082 10 1HG ARG 2 HG1 ARG 2 46.996 -3.215 14.626 11 2HG ARG 2 HG2 ARG 2 46.521 -3.773 13.022 12 1HD ARG 2 HD1 ARG 2 45.002 -4.876 15.352 13 2HD ARG 2 HD2 ARG 2 46.657 -5.467 15.096 14 HE ARG 2 HE ARG 2 45.926 -5.973 12.719 15 1HH1 ARG 2 HH11 ARG 2 44.147 -6.859 15.371 16 2HH1 ARG 2 HH12 ARG 2 42.669 -7.165 14.523 17 1HH2 ARG 2 HH21 ARG 2 43.780 -5.788 11.542 18 2HH2 ARG 2 HH22 ARG 2 42.461 -6.561 12.355 19 H ILE 3 HN ILE 3 45.064 0.879 12.321 20 HA ILE 3 HA ILE 3 42.664 1.712 13.836 21 HB ILE 3 HB ILE 3 44.680 3.147 13.268 22 1HG1 ILE 3 HG11 ILE 3 43.371 5.157 12.867 23 2HG1 ILE 3 HG12 ILE 3 42.486 4.095 13.954 24 1HG2 ILE 3 HG21 ILE 3 45.036 3.984 11.089 25 2HG2 ILE 3 HG22 ILE 3 43.476 3.395 10.513 26 3HG2 ILE 3 HG23 ILE 3 44.774 2.254 10.863 27 1HD1 ILE 3 HD11 ILE 3 41.178 5.197 12.009 28 2HD1 ILE 3 HD12 ILE 3 40.942 3.472 12.282 29 3HD1 ILE 3 HD13 ILE 3 41.991 4.022 10.978 30 H ALA 4 HN ALA 4 40.694 1.086 13.134 31 HA ALA 4 HA ALA 4 38.967 0.326 11.720 32 1HB ALA 4 HB1 ALA 4 38.926 1.760 9.585 33 2HB ALA 4 HB2 ALA 4 40.417 2.480 10.192 34 3HB ALA 4 HB3 ALA 4 38.927 2.618 11.125 35 H PHE 5 HN PHE 5 41.648 -1.108 11.473 36 HA PHE 5 HA PHE 5 41.336 -2.111 8.663 37 1HB PHE 5 HB1 PHE 5 43.753 -2.988 9.335 38 2HB PHE 5 HB2 PHE 5 43.634 -1.710 10.545 39 HD1 PHE 5 HD1 PHE 5 42.568 -2.071 6.955 40 HD2 PHE 5 HD2 PHE 5 44.711 0.247 9.871 41 HE1 PHE 5 HE1 PHE 5 43.108 -0.386 5.219 42 HE2 PHE 5 HE2 PHE 5 45.252 1.931 8.131 43 HZ PHE 5 HZ PHE 5 44.450 1.616 5.807 44 H THR 6 HN THR 6 39.998 -3.881 8.803 45 HA THR 6 HA THR 6 40.462 -5.870 10.994 46 HB THR 6 HB THR 6 38.132 -6.622 10.091 47 HG1 THR 6 HG1 THR 6 37.169 -5.295 8.734 48 1HG2 THR 6 HG21 THR 6 37.269 -5.457 11.830 49 2HG2 THR 6 HG22 THR 6 37.767 -3.907 11.153 50 3HG2 THR 6 HG23 THR 6 38.915 -4.877 12.076 51 H ASP 7 HN ASP 7 39.500 -8.149 9.933 52 HA ASP 7 HA ASP 7 41.572 -9.115 8.208 53 1HB ASP 7 HB1 ASP 7 39.525 -10.912 7.943 54 2HB ASP 7 HB2 ASP 7 39.027 -10.052 9.401 55 H ALA 8 HN ALA 8 38.167 -8.259 7.519 56 HA ALA 8 HA ALA 8 38.161 -8.897 4.740 57 1HB ALA 8 HB1 ALA 8 36.631 -6.543 5.757 58 2HB ALA 8 HB2 ALA 8 36.350 -8.091 6.556 59 3HB ALA 8 HB3 ALA 8 36.065 -7.929 4.823 60 H ASP 9 HN ASP 9 39.518 -6.163 6.467 61 HA ASP 9 HA ASP 9 39.746 -4.429 4.115 62 1HB ASP 9 HB1 ASP 9 41.153 -3.115 5.786 63 2HB ASP 9 HB2 ASP 9 40.840 -4.410 6.941 64 H ASP 10 HN ASP 10 41.951 -6.483 6.028 65 HA ASP 10 HA ASP 10 44.390 -5.856 4.708 66 1HB ASP 10 HB1 ASP 10 44.964 -8.233 5.517 67 2HB ASP 10 HB2 ASP 10 43.302 -8.309 6.102 68 H VAL 11 HN VAL 11 41.734 -7.952 3.745 69 HA VAL 11 HA VAL 11 43.230 -9.263 1.586 70 HB VAL 11 HB VAL 11 40.273 -9.115 2.275 71 1HG1 VAL 11 HG11 VAL 11 41.588 -11.343 0.749 72 2HG1 VAL 11 HG12 VAL 11 41.103 -9.878 -0.105 73 3HG1 VAL 11 HG13 VAL 11 39.897 -10.841 0.749 74 1HG2 VAL 11 HG21 VAL 11 40.959 -11.560 3.048 75 2HG2 VAL 11 HG22 VAL 11 41.196 -10.182 4.122 76 3HG2 VAL 11 HG23 VAL 11 42.555 -10.825 3.200 77 H ALA 12 HN ALA 12 40.762 -6.701 1.868 78 HA ALA 12 HA ALA 12 40.435 -6.224 -0.950 79 1HB ALA 12 HB1 ALA 12 39.064 -4.497 -0.209 80 2HB ALA 12 HB2 ALA 12 40.161 -4.053 1.099 81 3HB ALA 12 HB3 ALA 12 39.135 -5.479 1.254 82 H ILE 13 HN ILE 13 42.595 -4.786 1.498 83 HA ILE 13 HA ILE 13 43.753 -2.786 -0.231 84 HB ILE 13 HB ILE 13 44.820 -4.195 2.244 85 1HG1 ILE 13 HG11 ILE 13 42.526 -2.876 2.220 86 2HG1 ILE 13 HG12 ILE 13 43.576 -1.460 2.210 87 1HG2 ILE 13 HG21 ILE 13 46.636 -3.044 1.171 88 2HG2 ILE 13 HG22 ILE 13 46.096 -2.009 2.492 89 3HG2 ILE 13 HG23 ILE 13 45.627 -1.639 0.833 90 1HD1 ILE 13 HD11 ILE 13 44.243 -3.606 4.162 91 2HD1 ILE 13 HD12 ILE 13 42.790 -2.662 4.489 92 3HD1 ILE 13 HD13 ILE 13 44.350 -1.854 4.335 93 H LEU 14 HN LEU 14 44.868 -6.034 0.767 94 HA LEU 14 HA LEU 14 47.289 -6.085 -0.746 95 1HB LEU 14 HB1 LEU 14 45.367 -8.231 0.212 96 2HB LEU 14 HB2 LEU 14 46.816 -7.659 1.032 97 HG LEU 14 HG LEU 14 46.846 -9.030 -1.671 98 1HD1 LEU 14 HD11 LEU 14 49.181 -9.012 -1.487 99 2HD1 LEU 14 HD12 LEU 14 49.138 -8.782 0.261 100 3HD1 LEU 14 HD13 LEU 14 48.745 -7.442 -0.814 101 1HD2 LEU 14 HD21 LEU 14 47.025 -10.097 1.137 102 2HD2 LEU 14 HD22 LEU 14 47.916 -10.891 -0.161 103 3HD2 LEU 14 HD23 LEU 14 46.160 -10.760 -0.250 104 H THR 15 HN THR 15 44.146 -7.629 -1.572 105 HA THR 15 HA THR 15 44.793 -8.403 -4.219 106 HB THR 15 HB THR 15 42.084 -7.411 -3.313 107 HG1 THR 15 HG1 THR 15 42.313 -8.761 -1.730 108 1HG2 THR 15 HG21 THR 15 41.824 -8.176 -5.475 109 2HG2 THR 15 HG22 THR 15 41.613 -9.695 -4.602 110 3HG2 THR 15 HG23 THR 15 43.166 -9.314 -5.346 111 H TYR 16 HN TYR 16 43.022 -5.450 -3.205 112 HA TYR 16 HA TYR 16 42.750 -4.191 -5.707 113 1HB TYR 16 HB1 TYR 16 43.354 -2.958 -2.997 114 2HB TYR 16 HB2 TYR 16 41.760 -3.469 -3.550 115 HD1 TYR 16 HD1 TYR 16 40.520 -2.182 -5.189 116 HD2 TYR 16 HD2 TYR 16 44.492 -1.029 -4.032 117 HE1 TYR 16 HE1 TYR 16 40.205 0.015 -6.296 118 HE2 TYR 16 HE2 TYR 16 44.178 1.167 -5.140 119 HH TYR 16 HH TYR 16 41.668 1.796 -7.292 120 H VAL 17 HN VAL 17 45.472 -3.866 -3.407 121 HA VAL 17 HA VAL 17 47.053 -2.143 -5.115 122 HB VAL 17 HB VAL 17 47.635 -3.912 -2.715 123 1HG1 VAL 17 HG11 VAL 17 49.789 -3.676 -3.598 124 2HG1 VAL 17 HG12 VAL 17 49.665 -2.259 -2.554 125 3HG1 VAL 17 HG13 VAL 17 49.437 -2.094 -4.295 126 1HG2 VAL 17 HG21 VAL 17 47.436 -1.910 -1.447 127 2HG2 VAL 17 HG22 VAL 17 46.082 -1.874 -2.578 128 3HG2 VAL 17 HG23 VAL 17 47.518 -0.900 -2.891 129 H LYS 18 HN LYS 18 47.041 -5.659 -4.503 130 HA LYS 18 HA LYS 18 49.270 -6.165 -6.332 131 1HB LYS 18 HB1 LYS 18 47.298 -8.159 -5.212 132 2HB LYS 18 HB2 LYS 18 48.540 -7.423 -4.199 133 1HG LYS 18 HG1 LYS 18 50.219 -8.183 -5.987 134 2HG LYS 18 HG2 LYS 18 48.913 -9.176 -6.636 135 1HD LYS 18 HD1 LYS 18 48.650 -10.178 -4.333 136 2HD LYS 18 HD2 LYS 18 50.106 -9.309 -3.852 137 1HE LYS 18 HE1 LYS 18 50.429 -10.838 -6.355 138 2HE LYS 18 HE2 LYS 18 50.096 -11.845 -4.933 139 1HZ LYS 18 HZ1 LYS 18 51.837 -10.708 -3.741 140 2HZ LYS 18 HZ2 LYS 18 52.108 -9.651 -5.044 141 3HZ LYS 18 HZ3 LYS 18 52.482 -11.302 -5.192 142 H GLU 19 HN GLU 19 46.132 -5.302 -7.016 143 HA GLU 19 HA GLU 19 46.000 -7.100 -9.414 144 1HB GLU 19 HB1 GLU 19 43.513 -6.491 -9.238 145 2HB GLU 19 HB2 GLU 19 43.906 -5.797 -7.664 146 1HG GLU 19 HG1 GLU 19 43.285 -8.006 -7.128 147 2HG GLU 19 HG2 GLU 19 45.045 -8.101 -7.206 148 H ASN 20 HN ASN 20 46.137 -3.792 -8.297 149 HA ASN 20 HA ASN 20 45.456 -2.793 -11.039 150 1HB ASN 20 HB1 ASN 20 44.996 -0.691 -9.942 151 2HB ASN 20 HB2 ASN 20 45.776 -1.230 -8.460 152 1HD2 ASN 20 HD21 ASN 20 43.888 -0.993 -7.136 153 2HD2 ASN 20 HD22 ASN 20 42.523 -1.986 -7.310 154 H ALA 21 HN ALA 21 47.796 -2.240 -8.376 155 HA ALA 21 HA ALA 21 49.609 -0.551 -9.731 156 1HB ALA 21 HB1 ALA 21 51.227 -1.431 -8.041 157 2HB ALA 21 HB2 ALA 21 50.078 -2.714 -7.655 158 3HB ALA 21 HB3 ALA 21 49.662 -1.030 -7.334 159 H ARG 22 HN ARG 22 50.270 -4.025 -9.150 160 HA ARG 22 HA ARG 22 51.513 -5.583 -10.416 161 1HB ARG 22 HB1 ARG 22 50.921 -4.437 -13.021 162 2HB ARG 22 HB2 ARG 22 49.496 -4.374 -11.986 163 1HG ARG 22 HG1 ARG 22 49.327 -6.505 -12.953 164 2HG ARG 22 HG2 ARG 22 50.116 -6.852 -11.415 165 1HD ARG 22 HD1 ARG 22 52.089 -7.441 -12.432 166 2HD ARG 22 HD2 ARG 22 51.938 -6.176 -13.668 167 HE ARG 22 HE ARG 22 50.383 -8.746 -13.703 168 1HH1 ARG 22 HH11 ARG 22 52.226 -9.222 -15.641 169 2HH1 ARG 22 HH12 ARG 22 51.741 -8.351 -17.058 170 1HH2 ARG 22 HH21 ARG 22 49.591 -6.236 -15.342 171 2HH2 ARG 22 HH22 ARG 22 50.248 -6.659 -16.889 172 H SER 23 HN SER 23 52.717 -2.848 -9.720 173 HA SER 23 HA SER 23 55.243 -3.172 -11.114 174 1HB SER 23 HB1 SER 23 53.618 -2.131 -12.802 175 2HB SER 23 HB2 SER 23 55.111 -1.238 -12.535 176 HG SER 23 HG SER 23 52.616 -0.415 -12.147 177 HA PRO 24 HA PRO 24 56.428 -0.676 -7.664 178 1HB PRO 24 HB1 PRO 24 58.626 -1.128 -8.199 179 2HB PRO 24 HB2 PRO 24 58.668 0.611 -8.544 180 1HG PRO 24 HG1 PRO 24 59.271 -1.302 -10.370 181 2HG PRO 24 HG2 PRO 24 58.611 0.282 -10.795 182 1HD PRO 24 HD1 PRO 24 57.354 -2.359 -10.933 183 2HD PRO 24 HD2 PRO 24 56.868 -0.834 -11.703 184 H SER 25 HN SER 25 55.068 0.817 -10.319 185 HA SER 25 HA SER 25 55.692 3.605 -9.626 186 1HB SER 25 HB1 SER 25 54.427 4.080 -11.590 187 2HB SER 25 HB2 SER 25 53.555 2.554 -11.487 188 HG SER 25 HG SER 25 55.084 1.651 -12.566 189 H SER 26 HN SER 26 52.806 1.480 -9.483 190 HA SER 26 HA SER 26 51.103 3.476 -8.255 191 1HB SER 26 HB1 SER 26 49.963 1.077 -7.664 192 2HB SER 26 HB2 SER 26 51.056 0.596 -8.959 193 HG SER 26 HG SER 26 49.867 1.602 -10.345 194 H VAL 27 HN VAL 27 52.821 0.619 -6.927 195 HA VAL 27 HA VAL 27 52.012 1.026 -4.206 196 HB VAL 27 HB VAL 27 53.872 -0.562 -3.753 197 1HG1 VAL 27 HG11 VAL 27 52.753 -2.323 -4.716 198 2HG1 VAL 27 HG12 VAL 27 52.717 -1.565 -6.308 199 3HG1 VAL 27 HG13 VAL 27 51.573 -1.059 -5.065 200 1HG2 VAL 27 HG21 VAL 27 55.536 -1.049 -5.287 201 2HG2 VAL 27 HG22 VAL 27 55.241 0.633 -5.722 202 3HG2 VAL 27 HG23 VAL 27 54.517 -0.662 -6.671 203 H THR 28 HN THR 28 54.431 2.616 -6.152 204 HA THR 28 HA THR 28 55.416 4.036 -3.699 205 HB THR 28 HB THR 28 57.068 3.491 -6.164 206 HG1 THR 28 HG1 THR 28 57.116 1.482 -5.621 207 1HG2 THR 28 HG21 THR 28 57.929 5.143 -4.597 208 2HG2 THR 28 HG22 THR 28 58.907 3.679 -4.496 209 3HG2 THR 28 HG23 THR 28 57.705 4.023 -3.252 210 H GLY 29 HN GLY 29 53.295 4.742 -5.748 211 1HA GLY 29 HA1 GLY 29 53.436 6.410 -7.697 212 2HA GLY 29 HA2 GLY 29 54.522 7.317 -6.650 213 H ASN 30 HN ASN 30 52.350 6.067 -4.525 214 HA ASN 30 HA ASN 30 50.476 6.941 -3.401 215 1HB ASN 30 HB1 ASN 30 50.428 9.475 -3.462 216 2HB ASN 30 HB2 ASN 30 51.748 9.400 -4.624 217 1HD2 ASN 30 HD21 ASN 30 51.906 10.511 -1.882 218 2HD2 ASN 30 HD22 ASN 30 53.054 9.579 -1.050 219 H ALA 31 HN ALA 31 50.328 6.316 -6.511 220 HA ALA 31 HA ALA 31 48.044 8.035 -7.283 221 1HB ALA 31 HB1 ALA 31 48.271 6.549 -9.375 222 2HB ALA 31 HB2 ALA 31 49.690 5.852 -8.593 223 3HB ALA 31 HB3 ALA 31 49.657 7.570 -8.992 224 H LEU 32 HN LEU 32 48.626 4.495 -7.274 225 HA LEU 32 HA LEU 32 45.906 3.692 -7.370 226 1HB LEU 32 HB1 LEU 32 47.887 2.088 -5.800 227 2HB LEU 32 HB2 LEU 32 48.295 2.462 -7.477 228 HG LEU 32 HG LEU 32 45.526 1.501 -6.919 229 1HD1 LEU 32 HD11 LEU 32 45.565 1.042 -9.144 230 2HD1 LEU 32 HD12 LEU 32 47.169 0.314 -9.062 231 3HD1 LEU 32 HD13 LEU 32 46.999 2.066 -9.178 232 1HD2 LEU 32 HD21 LEU 32 47.679 -0.553 -7.267 233 2HD2 LEU 32 HD22 LEU 32 46.093 -0.711 -6.510 234 3HD2 LEU 32 HD23 LEU 32 47.402 0.103 -5.652 235 H TRP 33 HN TRP 33 47.816 4.902 -4.704 236 HA TRP 33 HA TRP 33 46.084 3.894 -2.584 237 1HB TRP 33 HB1 TRP 33 47.549 5.276 -1.179 238 2HB TRP 33 HB2 TRP 33 48.143 6.134 -2.603 239 HD1 TRP 33 HD1 TRP 33 50.118 5.102 -3.865 240 HE1 TRP 33 HE1 TRP 33 51.425 2.894 -3.733 241 HE3 TRP 33 HE3 TRP 33 47.208 2.545 -0.525 242 HZ2 TRP 33 HZ2 TRP 33 51.262 0.381 -2.417 243 HZ3 TRP 33 HZ3 TRP 33 47.816 0.232 0.139 244 HH2 TRP 33 HH2 TRP 33 49.842 -0.850 -0.797 245 H LYS 34 HN LYS 34 46.669 7.222 -3.894 246 HA LYS 34 HA LYS 34 44.554 8.543 -2.552 247 1HB LYS 34 HB1 LYS 34 44.703 9.725 -5.054 248 2HB LYS 34 HB2 LYS 34 46.249 8.888 -4.936 249 1HG LYS 34 HG1 LYS 34 45.251 10.533 -2.631 250 2HG LYS 34 HG2 LYS 34 46.026 11.310 -4.003 251 1HD LYS 34 HD1 LYS 34 47.557 9.001 -3.151 252 2HD LYS 34 HD2 LYS 34 47.289 10.113 -1.814 253 1HE LYS 34 HE1 LYS 34 47.937 11.890 -3.754 254 2HE LYS 34 HE2 LYS 34 48.908 10.497 -4.263 255 1HZ LYS 34 HZ1 LYS 34 48.829 11.771 -1.574 256 2HZ LYS 34 HZ2 LYS 34 50.152 11.719 -2.639 257 3HZ LYS 34 HZ3 LYS 34 49.604 10.297 -1.887 258 H ALA 35 HN ALA 35 44.535 6.822 -5.673 259 HA ALA 35 HA ALA 35 41.928 7.332 -6.581 260 1HB ALA 35 HB1 ALA 35 43.915 5.999 -7.580 261 2HB ALA 35 HB2 ALA 35 42.287 5.431 -7.954 262 3HB ALA 35 HB3 ALA 35 43.242 4.615 -6.716 263 H MET 36 HN MET 36 42.961 4.658 -4.417 264 HA MET 36 HA MET 36 40.382 3.501 -4.018 265 1HB MET 36 HB1 MET 36 42.249 3.522 -1.721 266 2HB MET 36 HB2 MET 36 42.974 3.012 -3.245 267 1HG MET 36 HG1 MET 36 41.712 1.096 -3.355 268 2HG MET 36 HG2 MET 36 40.303 1.860 -2.621 269 1HE MET 36 HE1 MET 36 43.129 -0.766 -1.872 270 2HE MET 36 HE2 MET 36 44.014 0.135 -0.645 271 3HE MET 36 HE3 MET 36 43.813 0.820 -2.255 272 H GLU 37 HN GLU 37 42.086 6.072 -2.216 273 HA GLU 37 HA GLU 37 40.354 6.507 -0.058 274 1HB GLU 37 HB1 GLU 37 41.649 8.643 -1.777 275 2HB GLU 37 HB2 GLU 37 42.539 7.639 -0.634 276 1HG GLU 37 HG1 GLU 37 42.048 9.286 0.863 277 2HG GLU 37 HG2 GLU 37 40.455 8.532 0.923 278 H LYS 38 HN LYS 38 39.918 7.485 -3.436 279 HA LYS 38 HA LYS 38 37.547 9.118 -2.910 280 1HB LYS 38 HB1 LYS 38 38.109 7.981 -5.601 281 2HB LYS 38 HB2 LYS 38 39.391 8.958 -4.887 282 1HG LYS 38 HG1 LYS 38 38.136 10.889 -4.960 283 2HG LYS 38 HG2 LYS 38 36.614 10.033 -4.718 284 1HD LYS 38 HD1 LYS 38 36.709 9.199 -7.033 285 2HD LYS 38 HD2 LYS 38 38.249 10.027 -7.275 286 1HE LYS 38 HE1 LYS 38 35.942 11.664 -6.285 287 2HE LYS 38 HE2 LYS 38 35.944 11.180 -7.993 288 1HZ LYS 38 HZ1 LYS 38 38.107 12.093 -8.271 289 2HZ LYS 38 HZ2 LYS 38 38.301 12.343 -6.603 290 3HZ LYS 38 HZ3 LYS 38 37.192 13.283 -7.481 291 H SER 39 HN SER 39 38.018 6.033 -4.692 292 HA SER 39 HA SER 39 35.228 5.261 -3.892 293 1HB SER 39 HB1 SER 39 36.426 4.083 -6.328 294 2HB SER 39 HB2 SER 39 36.185 5.825 -6.399 295 HG SER 39 HG SER 39 34.282 5.001 -7.034 296 H SER 40 HN SER 40 36.797 4.413 -2.024 297 HA SER 40 HA SER 40 38.261 1.943 -2.674 298 1HB SER 40 HB1 SER 40 39.286 3.093 -0.940 299 2HB SER 40 HB2 SER 40 38.258 2.015 -0.006 300 HG SER 40 HG SER 40 37.999 4.743 -0.466 301 H LEU 41 HN LEU 41 37.759 0.006 -1.154 302 HA LEU 41 HA LEU 41 34.948 -0.770 -1.556 303 1HB LEU 41 HB1 LEU 41 37.008 -2.392 -0.088 304 2HB LEU 41 HB2 LEU 41 37.251 -2.080 -1.804 305 HG LEU 41 HG LEU 41 36.053 -4.211 -1.436 306 1HD1 LEU 41 HD11 LEU 41 34.895 -3.118 0.688 307 2HD1 LEU 41 HD12 LEU 41 34.098 -4.406 -0.214 308 3HD1 LEU 41 HD13 LEU 41 33.637 -2.726 -0.485 309 1HD2 LEU 41 HD21 LEU 41 35.525 -2.452 -3.347 310 2HD2 LEU 41 HD22 LEU 41 33.966 -2.356 -2.528 311 3HD2 LEU 41 HD23 LEU 41 34.534 -3.898 -3.167 312 H THR 42 HN THR 42 37.176 -0.198 1.167 313 HA THR 42 HA THR 42 34.868 -0.391 3.067 314 HB THR 42 HB THR 42 37.719 -0.213 3.969 315 HG1 THR 42 HG1 THR 42 38.278 -1.829 2.777 316 1HG2 THR 42 HG21 THR 42 36.044 -2.401 4.937 317 2HG2 THR 42 HG22 THR 42 35.273 -0.828 5.144 318 3HG2 THR 42 HG23 THR 42 36.862 -1.130 5.844 319 H GLN 43 HN GLN 43 36.367 1.147 5.106 320 HA GLN 43 HA GLN 43 36.094 3.881 3.906 321 1HB GLN 43 HB1 GLN 43 35.718 4.262 6.549 322 2HB GLN 43 HB2 GLN 43 35.228 2.572 6.438 323 1HG GLN 43 HG1 GLN 43 33.204 3.382 5.794 324 2HG GLN 43 HG2 GLN 43 33.976 3.705 4.241 325 1HE2 GLN 43 HE21 GLN 43 32.218 5.187 6.696 326 2HE2 GLN 43 HE22 GLN 43 32.681 6.796 6.419 327 H HIS 44 HN HIS 44 38.232 4.478 3.489 328 HA HIS 44 HA HIS 44 39.986 4.966 5.783 329 1HB HIS 44 HB1 HIS 44 41.697 3.442 4.216 330 2HB HIS 44 HB2 HIS 44 40.175 2.557 4.101 331 HD1 HIS 44 HD1 HIS 44 42.518 3.980 6.734 332 HD2 HIS 44 HD2 HIS 44 39.536 1.093 6.366 333 HE1 HIS 44 HE1 HIS 44 42.439 2.750 8.941 334 H SER 45 HN SER 45 42.156 5.865 4.969 335 HA SER 45 HA SER 45 41.667 7.534 2.528 336 1HB SER 45 HB1 SER 45 42.025 8.936 4.376 337 2HB SER 45 HB2 SER 45 43.643 8.817 3.691 338 HG SER 45 HG SER 45 42.652 7.799 6.048 339 H TRP 46 HN TRP 46 44.201 8.262 1.846 340 HA TRP 46 HA TRP 46 45.348 5.714 0.856 341 1HB TRP 46 HB1 TRP 46 44.741 7.902 -0.481 342 2HB TRP 46 HB2 TRP 46 46.225 7.046 -0.883 343 HD1 TRP 46 HD1 TRP 46 44.945 10.304 0.540 344 HE1 TRP 46 HE1 TRP 46 46.938 11.896 0.928 345 HE3 TRP 46 HE3 TRP 46 48.807 7.073 -0.255 346 HZ2 TRP 46 HZ2 TRP 46 49.805 11.801 0.919 347 HZ3 TRP 46 HZ3 TRP 46 51.159 7.841 -0.053 348 HH2 TRP 46 HH2 TRP 46 51.660 10.197 0.528 349 H GLN 47 HN GLN 47 46.208 8.479 2.891 350 HA GLN 47 HA GLN 47 48.993 8.038 3.213 351 1HB GLN 47 HB1 GLN 47 47.437 8.889 5.590 352 2HB GLN 47 HB2 GLN 47 47.111 9.797 4.114 353 1HG GLN 47 HG1 GLN 47 49.312 10.575 3.958 354 2HG GLN 47 HG2 GLN 47 49.954 9.247 4.926 355 1HE2 GLN 47 HE21 GLN 47 47.236 11.520 5.616 356 2HE2 GLN 47 HE22 GLN 47 47.893 12.092 7.072 357 H SER 48 HN SER 48 46.528 7.126 5.661 358 HA SER 48 HA SER 48 48.188 5.360 7.144 359 1HB SER 48 HB1 SER 48 45.188 5.258 6.681 360 2HB SER 48 HB2 SER 48 45.992 6.310 7.843 361 HG SER 48 HG SER 48 45.545 4.600 9.053 362 H LEU 49 HN LEU 49 46.450 4.878 4.142 363 HA LEU 49 HA LEU 49 46.561 1.960 4.160 364 1HB LEU 49 HB1 LEU 49 46.171 3.989 1.929 365 2HB LEU 49 HB2 LEU 49 44.881 3.333 2.938 366 HG LEU 49 HG LEU 49 46.720 1.629 1.235 367 1HD1 LEU 49 HD11 LEU 49 44.212 1.119 2.846 368 2HD1 LEU 49 HD12 LEU 49 45.784 0.336 3.009 369 3HD1 LEU 49 HD13 LEU 49 44.774 0.004 1.601 370 1HD2 LEU 49 HD21 LEU 49 44.975 3.351 0.151 371 2HD2 LEU 49 HD22 LEU 49 43.844 2.060 0.553 372 3HD2 LEU 49 HD23 LEU 49 45.211 1.734 -0.511 373 H LYS 50 HN LYS 50 48.469 4.599 2.723 374 HA LYS 50 HA LYS 50 50.305 2.850 1.294 375 1HB LYS 50 HB1 LYS 50 50.682 5.727 2.180 376 2HB LYS 50 HB2 LYS 50 49.694 5.270 0.792 377 1HG LYS 50 HG1 LYS 50 51.657 5.508 -0.351 378 2HG LYS 50 HG2 LYS 50 51.974 3.882 0.252 379 1HD LYS 50 HD1 LYS 50 53.553 4.604 1.734 380 2HD LYS 50 HD2 LYS 50 52.661 6.075 2.122 381 1HE LYS 50 HE1 LYS 50 53.377 7.058 -0.052 382 2HE LYS 50 HE2 LYS 50 54.318 5.590 -0.384 383 1HZ LYS 50 HZ1 LYS 50 55.591 5.949 1.590 384 2HZ LYS 50 HZ2 LYS 50 54.595 7.234 2.081 385 3HZ LYS 50 HZ3 LYS 50 55.603 7.408 0.723 386 H ASP 51 HN ASP 51 50.369 4.592 4.401 387 HA ASP 51 HA ASP 51 53.080 3.993 5.115 388 1HB ASP 51 HB1 ASP 51 50.998 4.148 7.235 389 2HB ASP 51 HB2 ASP 51 51.056 5.506 6.110 390 H ARG 52 HN ARG 52 50.042 2.196 5.568 391 HA ARG 52 HA ARG 52 51.084 0.155 7.307 392 1HB ARG 52 HB1 ARG 52 48.967 -0.682 5.459 393 2HB ARG 52 HB2 ARG 52 48.646 0.896 6.174 394 1HG ARG 52 HG1 ARG 52 47.724 -0.949 7.559 395 2HG ARG 52 HG2 ARG 52 48.957 -0.038 8.427 396 1HD ARG 52 HD1 ARG 52 50.425 -1.820 8.458 397 2HD ARG 52 HD2 ARG 52 49.911 -2.401 6.862 398 HE ARG 52 HE ARG 52 48.254 -2.721 9.348 399 1HH1 ARG 52 HH11 ARG 52 48.662 -5.193 9.477 400 2HH1 ARG 52 HH12 ARG 52 48.101 -6.034 8.071 401 1HH2 ARG 52 HH21 ARG 52 47.851 -3.168 6.134 402 2HH2 ARG 52 HH22 ARG 52 47.642 -4.887 6.177 403 H TYR 53 HN TYR 53 50.855 0.422 3.765 404 HA TYR 53 HA TYR 53 51.644 -2.218 3.071 405 1HB TYR 53 HB1 TYR 53 52.499 0.224 1.533 406 2HB TYR 53 HB2 TYR 53 50.786 -0.177 1.684 407 HD1 TYR 53 HD1 TYR 53 50.221 -2.742 1.259 408 HD2 TYR 53 HD2 TYR 53 53.693 -0.707 -0.235 409 HE1 TYR 53 HE1 TYR 53 50.469 -4.466 -0.502 410 HE2 TYR 53 HE2 TYR 53 53.943 -2.429 -1.997 411 HH TYR 53 HH TYR 53 52.793 -5.282 -1.964 412 H LEU 54 HN LEU 54 53.624 0.669 3.735 413 HA LEU 54 HA LEU 54 56.141 -0.809 3.316 414 1HB LEU 54 HB1 LEU 54 57.036 1.469 4.049 415 2HB LEU 54 HB2 LEU 54 55.354 1.990 4.149 416 HG LEU 54 HG LEU 54 55.094 1.188 1.744 417 1HD1 LEU 54 HD11 LEU 54 55.214 3.532 2.058 418 2HD1 LEU 54 HD12 LEU 54 56.455 3.196 0.851 419 3HD1 LEU 54 HD13 LEU 54 56.910 3.468 2.533 420 1HD2 LEU 54 HD21 LEU 54 56.862 -0.162 1.162 421 2HD2 LEU 54 HD22 LEU 54 57.985 0.669 2.239 422 3HD2 LEU 54 HD23 LEU 54 57.574 1.377 0.678 423 H LYS 55 HN LYS 55 54.056 0.157 5.971 424 HA LYS 55 HA LYS 55 55.826 0.115 8.175 425 1HB LYS 55 HB1 LYS 55 53.513 -1.000 9.136 426 2HB LYS 55 HB2 LYS 55 52.954 -0.296 7.622 427 1HG LYS 55 HG1 LYS 55 52.704 1.461 9.186 428 2HG LYS 55 HG2 LYS 55 54.228 1.830 8.376 429 1HD LYS 55 HD1 LYS 55 55.511 1.168 10.213 430 2HD LYS 55 HD2 LYS 55 54.244 0.116 10.846 431 1HE LYS 55 HE1 LYS 55 53.609 3.030 10.678 432 2HE LYS 55 HE2 LYS 55 54.750 2.520 11.938 433 1HZ LYS 55 HZ1 LYS 55 53.190 0.879 12.684 434 2HZ LYS 55 HZ2 LYS 55 52.137 1.205 11.392 435 3HZ LYS 55 HZ3 LYS 55 52.373 2.364 12.612 436 H HIS 56 HN HIS 56 53.789 -2.648 7.087 437 HA HIS 56 HA HIS 56 56.013 -4.513 7.527 438 1HB HIS 56 HB1 HIS 56 55.231 -4.103 9.800 439 2HB HIS 56 HB2 HIS 56 54.804 -5.739 9.318 440 HD1 HIS 56 HD1 HIS 56 53.093 -4.936 11.484 441 HD2 HIS 56 HD2 HIS 56 52.214 -3.701 7.602 442 HE1 HIS 56 HE1 HIS 56 50.631 -4.348 11.460 443 H LEU 57 HN LEU 57 54.437 -3.976 5.198 444 HA LEU 57 HA LEU 57 52.868 -6.533 4.959 445 1HB LEU 57 HB1 LEU 57 51.746 -5.264 3.043 446 2HB LEU 57 HB2 LEU 57 52.599 -3.834 3.610 447 HG LEU 57 HG LEU 57 51.504 -3.998 5.782 448 1HD1 LEU 57 HD11 LEU 57 48.995 -4.178 4.555 449 2HD1 LEU 57 HD12 LEU 57 50.078 -3.654 3.266 450 3HD1 LEU 57 HD13 LEU 57 49.962 -2.717 4.754 451 1HD2 LEU 57 HD21 LEU 57 49.562 -5.720 5.922 452 2HD2 LEU 57 HD22 LEU 57 51.203 -6.315 6.167 453 3HD2 LEU 57 HD23 LEU 57 50.403 -6.556 4.615 454 H ARG 58 HN ARG 58 54.251 -4.268 2.578 455 HA ARG 58 HA ARG 58 55.636 -4.663 0.704 456 1HB ARG 58 HB1 ARG 58 56.881 -6.757 2.491 457 2HB ARG 58 HB2 ARG 58 57.054 -5.033 2.824 458 1HG ARG 58 HG1 ARG 58 57.815 -4.877 0.334 459 2HG ARG 58 HG2 ARG 58 58.071 -6.617 0.473 460 1HD ARG 58 HD1 ARG 58 59.280 -4.543 2.343 461 2HD ARG 58 HD2 ARG 58 60.145 -5.339 1.013 462 HE ARG 58 HE ARG 58 58.783 -7.085 2.994 463 1HH1 ARG 58 HH11 ARG 58 61.224 -5.604 4.101 464 2HH1 ARG 58 HH12 ARG 58 62.474 -6.768 3.811 465 1HH2 ARG 58 HH21 ARG 58 60.574 -8.640 1.591 466 2HH2 ARG 58 HH22 ARG 58 62.104 -8.491 2.389 467 H GLY 59 HN GLY 59 53.171 -6.354 1.003 468 1HA GLY 59 HA1 GLY 59 52.238 -8.340 0.132 469 2HA GLY 59 HA2 GLY 59 53.865 -9.022 0.056 Start of MODEL 15 1 1H GLY 1 HT1 GLY 1 46.675 6.903 16.701 2 2H GLY 1 HT2 GLY 1 46.805 5.318 17.300 3 3H GLY 1 HT3 GLY 1 46.504 6.610 18.363 4 1HA GLY 1 HA1 GLY 1 44.341 6.968 17.432 5 2HA GLY 1 HA2 GLY 1 44.504 5.277 17.909 6 H ARG 2 HN ARG 2 44.518 7.499 15.162 7 HA ARG 2 HA ARG 2 43.976 7.133 12.892 8 1HB ARG 2 HB1 ARG 2 45.149 4.857 12.136 9 2HB ARG 2 HB2 ARG 2 45.873 4.977 13.739 10 1HG ARG 2 HG1 ARG 2 47.339 6.114 12.187 11 2HG ARG 2 HG2 ARG 2 46.538 7.346 13.163 12 1HD ARG 2 HD1 ARG 2 45.053 7.929 11.384 13 2HD ARG 2 HD2 ARG 2 45.449 6.456 10.474 14 HE ARG 2 HE ARG 2 47.680 7.412 10.055 15 1HH1 ARG 2 HH11 ARG 2 48.291 9.198 12.182 16 2HH1 ARG 2 HH12 ARG 2 47.872 10.769 11.585 17 1HH2 ARG 2 HH21 ARG 2 45.876 9.552 9.024 18 2HH2 ARG 2 HH22 ARG 2 46.504 10.969 9.796 19 H ILE 3 HN ILE 3 43.142 5.130 11.375 20 HA ILE 3 HA ILE 3 40.635 4.244 12.637 21 HB ILE 3 HB ILE 3 41.804 3.811 9.865 22 1HG1 ILE 3 HG11 ILE 3 41.494 6.217 10.548 23 2HG1 ILE 3 HG12 ILE 3 39.784 5.870 10.805 24 1HG2 ILE 3 HG21 ILE 3 39.095 3.330 11.095 25 2HG2 ILE 3 HG22 ILE 3 40.057 2.245 10.093 26 3HG2 ILE 3 HG23 ILE 3 39.257 3.639 9.367 27 1HD1 ILE 3 HD11 ILE 3 39.344 5.728 8.562 28 2HD1 ILE 3 HD12 ILE 3 40.914 5.013 8.194 29 3HD1 ILE 3 HD13 ILE 3 40.774 6.753 8.444 30 H ALA 4 HN ALA 4 39.953 1.909 12.309 31 HA ALA 4 HA ALA 4 42.014 0.109 13.353 32 1HB ALA 4 HB1 ALA 4 39.399 0.354 13.780 33 2HB ALA 4 HB2 ALA 4 40.181 -1.222 13.889 34 3HB ALA 4 HB3 ALA 4 39.302 -0.774 12.426 35 H PHE 5 HN PHE 5 41.814 -2.259 12.257 36 HA PHE 5 HA PHE 5 41.593 -2.264 9.339 37 1HB PHE 5 HB1 PHE 5 44.220 -3.010 9.512 38 2HB PHE 5 HB2 PHE 5 44.138 -1.794 10.785 39 HD1 PHE 5 HD1 PHE 5 44.943 0.256 10.024 40 HD2 PHE 5 HD2 PHE 5 42.502 -2.130 7.415 41 HE1 PHE 5 HE1 PHE 5 45.020 2.049 8.312 42 HE2 PHE 5 HE2 PHE 5 42.578 -0.337 5.704 43 HZ PHE 5 HZ PHE 5 43.838 1.753 6.152 44 H THR 6 HN THR 6 40.153 -4.041 10.183 45 HA THR 6 HA THR 6 41.245 -6.348 11.545 46 HB THR 6 HB THR 6 39.033 -7.332 10.563 47 HG1 THR 6 HG1 THR 6 38.013 -6.082 9.244 48 1HG2 THR 6 HG21 THR 6 37.967 -6.533 12.424 49 2HG2 THR 6 HG22 THR 6 38.419 -4.861 12.092 50 3HG2 THR 6 HG23 THR 6 39.588 -5.962 12.821 51 H ASP 7 HN ASP 7 40.703 -8.581 10.225 52 HA ASP 7 HA ASP 7 42.770 -8.819 8.220 53 1HB ASP 7 HB1 ASP 7 41.758 -11.136 8.030 54 2HB ASP 7 HB2 ASP 7 40.494 -10.601 9.138 55 H ALA 8 HN ALA 8 39.238 -8.532 8.084 56 HA ALA 8 HA ALA 8 38.862 -9.116 5.311 57 1HB ALA 8 HB1 ALA 8 36.920 -7.279 5.950 58 2HB ALA 8 HB2 ALA 8 37.426 -7.828 7.548 59 3HB ALA 8 HB3 ALA 8 36.837 -8.992 6.360 60 H ASP 9 HN ASP 9 39.647 -6.082 6.995 61 HA ASP 9 HA ASP 9 39.425 -4.332 4.724 62 1HB ASP 9 HB1 ASP 9 40.895 -2.878 6.200 63 2HB ASP 9 HB2 ASP 9 41.012 -4.246 7.308 64 H ASP 10 HN ASP 10 42.145 -6.200 6.064 65 HA ASP 10 HA ASP 10 44.185 -5.167 4.315 66 1HB ASP 10 HB1 ASP 10 45.277 -7.399 5.007 67 2HB ASP 10 HB2 ASP 10 43.799 -7.703 5.921 68 H VAL 11 HN VAL 11 41.833 -7.793 4.001 69 HA VAL 11 HA VAL 11 42.941 -9.106 1.711 70 HB VAL 11 HB VAL 11 40.067 -8.741 2.632 71 1HG1 VAL 11 HG11 VAL 11 41.008 -9.890 0.249 72 2HG1 VAL 11 HG12 VAL 11 39.417 -10.126 0.968 73 3HG1 VAL 11 HG13 VAL 11 40.718 -11.263 1.316 74 1HG2 VAL 11 HG21 VAL 11 42.097 -9.851 4.059 75 2HG2 VAL 11 HG22 VAL 11 41.576 -11.253 3.126 76 3HG2 VAL 11 HG23 VAL 11 40.428 -10.409 4.164 77 H ALA 12 HN ALA 12 40.536 -6.467 1.963 78 HA ALA 12 HA ALA 12 40.115 -6.146 -0.863 79 1HB ALA 12 HB1 ALA 12 38.518 -5.212 0.608 80 2HB ALA 12 HB2 ALA 12 39.385 -3.798 0.012 81 3HB ALA 12 HB3 ALA 12 39.755 -4.450 1.608 82 H ILE 13 HN ILE 13 42.322 -4.527 1.428 83 HA ILE 13 HA ILE 13 43.481 -2.688 -0.458 84 HB ILE 13 HB ILE 13 44.577 -3.960 2.078 85 1HG1 ILE 13 HG11 ILE 13 42.378 -2.747 2.283 86 2HG1 ILE 13 HG12 ILE 13 43.177 -1.297 1.677 87 1HG2 ILE 13 HG21 ILE 13 45.896 -1.769 2.147 88 2HG2 ILE 13 HG22 ILE 13 45.439 -1.554 0.457 89 3HG2 ILE 13 HG23 ILE 13 46.413 -2.943 0.937 90 1HD1 ILE 13 HD11 ILE 13 44.901 -1.790 3.603 91 2HD1 ILE 13 HD12 ILE 13 43.578 -2.738 4.286 92 3HD1 ILE 13 HD13 ILE 13 43.367 -1.012 3.990 93 H LEU 14 HN LEU 14 44.495 -5.917 0.680 94 HA LEU 14 HA LEU 14 46.897 -6.147 -0.855 95 1HB LEU 14 HB1 LEU 14 44.880 -8.196 0.132 96 2HB LEU 14 HB2 LEU 14 46.289 -7.609 1.013 97 HG LEU 14 HG LEU 14 46.502 -9.004 -1.665 98 1HD1 LEU 14 HD11 LEU 14 48.829 -9.263 -1.044 99 2HD1 LEU 14 HD12 LEU 14 48.516 -8.621 0.568 100 3HD1 LEU 14 HD13 LEU 14 48.397 -7.566 -0.840 101 1HD2 LEU 14 HD21 LEU 14 46.884 -10.245 1.075 102 2HD2 LEU 14 HD22 LEU 14 46.960 -11.061 -0.486 103 3HD2 LEU 14 HD23 LEU 14 45.419 -10.445 0.113 104 H THR 15 HN THR 15 43.748 -7.720 -1.553 105 HA THR 15 HA THR 15 44.257 -8.567 -4.186 106 HB THR 15 HB THR 15 41.662 -7.469 -3.057 107 HG1 THR 15 HG1 THR 15 41.511 -9.273 -1.954 108 1HG2 THR 15 HG21 THR 15 42.102 -8.269 -5.589 109 2HG2 THR 15 HG22 THR 15 40.577 -8.560 -4.753 110 3HG2 THR 15 HG23 THR 15 41.788 -9.838 -4.848 111 H TYR 16 HN TYR 16 43.111 -5.391 -3.062 112 HA TYR 16 HA TYR 16 42.648 -4.238 -5.663 113 1HB TYR 16 HB1 TYR 16 43.394 -2.986 -2.992 114 2HB TYR 16 HB2 TYR 16 41.755 -3.377 -3.515 115 HD1 TYR 16 HD1 TYR 16 40.548 -1.938 -4.995 116 HD2 TYR 16 HD2 TYR 16 44.728 -1.273 -4.262 117 HE1 TYR 16 HE1 TYR 16 40.406 0.248 -6.159 118 HE2 TYR 16 HE2 TYR 16 44.586 0.912 -5.423 119 HH TYR 16 HH TYR 16 42.764 2.607 -5.925 120 H VAL 17 HN VAL 17 45.384 -3.818 -3.379 121 HA VAL 17 HA VAL 17 47.098 -2.342 -5.110 122 HB VAL 17 HB VAL 17 47.634 -4.295 -2.845 123 1HG1 VAL 17 HG11 VAL 17 49.515 -3.117 -4.627 124 2HG1 VAL 17 HG12 VAL 17 49.846 -4.002 -3.139 125 3HG1 VAL 17 HG13 VAL 17 49.649 -2.251 -3.096 126 1HG2 VAL 17 HG21 VAL 17 46.203 -2.183 -2.501 127 2HG2 VAL 17 HG22 VAL 17 47.687 -1.274 -2.783 128 3HG2 VAL 17 HG23 VAL 17 47.583 -2.391 -1.423 129 H LYS 18 HN LYS 18 46.872 -5.865 -4.557 130 HA LYS 18 HA LYS 18 48.962 -6.625 -6.381 131 1HB LYS 18 HB1 LYS 18 46.492 -8.201 -5.609 132 2HB LYS 18 HB2 LYS 18 47.846 -7.950 -4.507 133 1HG LYS 18 HG1 LYS 18 49.180 -9.426 -5.620 134 2HG LYS 18 HG2 LYS 18 48.613 -8.893 -7.203 135 1HD LYS 18 HD1 LYS 18 46.747 -10.319 -7.149 136 2HD LYS 18 HD2 LYS 18 46.798 -10.475 -5.392 137 1HE LYS 18 HE1 LYS 18 49.165 -11.568 -5.871 138 2HE LYS 18 HE2 LYS 18 48.460 -11.865 -7.473 139 1HZ LYS 18 HZ1 LYS 18 47.975 -13.633 -5.801 140 2HZ LYS 18 HZ2 LYS 18 46.582 -12.916 -6.456 141 3HZ LYS 18 HZ3 LYS 18 47.107 -12.490 -4.897 142 H GLU 19 HN GLU 19 45.757 -5.458 -6.956 143 HA GLU 19 HA GLU 19 45.500 -6.768 -9.594 144 1HB GLU 19 HB1 GLU 19 43.425 -5.024 -9.363 145 2HB GLU 19 HB2 GLU 19 43.850 -5.234 -7.664 146 1HG GLU 19 HG1 GLU 19 42.446 -7.045 -7.880 147 2HG GLU 19 HG2 GLU 19 43.933 -7.812 -8.442 148 H ASN 20 HN ASN 20 45.760 -3.423 -8.303 149 HA ASN 20 HA ASN 20 46.125 -2.358 -11.045 150 1HB ASN 20 HB1 ASN 20 45.985 -0.205 -9.931 151 2HB ASN 20 HB2 ASN 20 46.210 -0.958 -8.358 152 1HD2 ASN 20 HD21 ASN 20 44.102 0.081 -7.783 153 2HD2 ASN 20 HD22 ASN 20 42.653 -0.671 -8.248 154 H ALA 21 HN ALA 21 47.910 -2.045 -7.952 155 HA ALA 21 HA ALA 21 50.262 -0.850 -8.759 156 1HB ALA 21 HB1 ALA 21 49.309 -2.073 -6.526 157 2HB ALA 21 HB2 ALA 21 50.967 -1.496 -6.687 158 3HB ALA 21 HB3 ALA 21 50.591 -3.194 -6.979 159 H ARG 22 HN ARG 22 51.097 -1.406 -10.788 160 HA ARG 22 HA ARG 22 52.388 -4.100 -10.978 161 1HB ARG 22 HB1 ARG 22 51.712 -3.936 -13.458 162 2HB ARG 22 HB2 ARG 22 50.627 -2.638 -12.960 163 1HG ARG 22 HG1 ARG 22 49.378 -4.718 -12.964 164 2HG ARG 22 HG2 ARG 22 49.614 -4.218 -11.290 165 1HD ARG 22 HD1 ARG 22 50.865 -6.069 -10.822 166 2HD ARG 22 HD2 ARG 22 51.803 -5.906 -12.320 167 HE ARG 22 HE ARG 22 50.237 -7.353 -13.369 168 1HH1 ARG 22 HH11 ARG 22 47.681 -6.370 -13.294 169 2HH1 ARG 22 HH12 ARG 22 46.843 -7.213 -12.034 170 1HH2 ARG 22 HH21 ARG 22 49.743 -8.325 -10.490 171 2HH2 ARG 22 HH22 ARG 22 48.011 -8.321 -10.446 172 H SER 23 HN SER 23 53.339 -1.297 -10.334 173 HA SER 23 HA SER 23 55.656 -1.274 -12.147 174 1HB SER 23 HB1 SER 23 53.961 -0.079 -13.444 175 2HB SER 23 HB2 SER 23 55.156 1.078 -12.868 176 HG SER 23 HG SER 23 53.760 1.917 -11.510 177 HA PRO 24 HA PRO 24 57.414 0.444 -8.475 178 1HB PRO 24 HB1 PRO 24 59.506 0.042 -9.384 179 2HB PRO 24 HB2 PRO 24 59.560 1.813 -9.480 180 1HG PRO 24 HG1 PRO 24 59.865 0.250 -11.638 181 2HG PRO 24 HG2 PRO 24 59.059 1.824 -11.722 182 1HD PRO 24 HD1 PRO 24 57.907 -0.906 -11.855 183 2HD PRO 24 HD2 PRO 24 57.317 0.613 -12.565 184 H SER 25 HN SER 25 55.256 1.878 -8.802 185 HA SER 25 HA SER 25 56.025 4.643 -8.233 186 1HB SER 25 HB1 SER 25 54.384 3.993 -10.704 187 2HB SER 25 HB2 SER 25 56.087 4.439 -10.738 188 HG SER 25 HG SER 25 53.965 6.010 -9.716 189 H SER 26 HN SER 26 53.344 2.455 -9.153 190 HA SER 26 HA SER 26 51.218 3.901 -7.909 191 1HB SER 26 HB1 SER 26 50.182 1.550 -7.883 192 2HB SER 26 HB2 SER 26 51.717 0.984 -8.536 193 HG SER 26 HG SER 26 50.918 1.541 -10.380 194 H VAL 27 HN VAL 27 53.599 1.637 -6.618 195 HA VAL 27 HA VAL 27 52.292 1.645 -3.948 196 HB VAL 27 HB VAL 27 54.021 -0.070 -3.468 197 1HG1 VAL 27 HG11 VAL 27 52.520 -0.400 -6.081 198 2HG1 VAL 27 HG12 VAL 27 51.945 -0.826 -4.469 199 3HG1 VAL 27 HG13 VAL 27 53.275 -1.728 -5.199 200 1HG2 VAL 27 HG21 VAL 27 55.406 1.205 -5.573 201 2HG2 VAL 27 HG22 VAL 27 54.996 -0.395 -6.189 202 3HG2 VAL 27 HG23 VAL 27 55.912 -0.235 -4.691 203 H THR 28 HN THR 28 53.908 3.974 -5.328 204 HA THR 28 HA THR 28 55.195 4.894 -2.875 205 HB THR 28 HB THR 28 56.871 3.317 -3.731 206 HG1 THR 28 HG1 THR 28 57.594 5.285 -2.824 207 1HG2 THR 28 HG21 THR 28 56.141 3.385 -6.107 208 2HG2 THR 28 HG22 THR 28 57.881 3.619 -5.938 209 3HG2 THR 28 HG23 THR 28 56.832 5.001 -6.252 210 H GLY 29 HN GLY 29 53.199 5.776 -4.948 211 1HA GLY 29 HA1 GLY 29 53.594 7.596 -6.794 212 2HA GLY 29 HA2 GLY 29 54.415 8.442 -5.482 213 H ASN 30 HN ASN 30 52.203 7.010 -3.706 214 HA ASN 30 HA ASN 30 50.118 7.618 -2.797 215 1HB ASN 30 HB1 ASN 30 49.778 10.067 -2.735 216 2HB ASN 30 HB2 ASN 30 50.990 10.266 -4.000 217 1HD2 ASN 30 HD21 ASN 30 51.581 11.608 -1.705 218 2HD2 ASN 30 HD22 ASN 30 52.777 10.812 -0.803 219 H ALA 31 HN ALA 31 50.344 6.918 -5.856 220 HA ALA 31 HA ALA 31 47.996 8.361 -6.934 221 1HB ALA 31 HB1 ALA 31 49.751 8.048 -8.486 222 2HB ALA 31 HB2 ALA 31 48.614 6.766 -8.904 223 3HB ALA 31 HB3 ALA 31 50.049 6.395 -7.948 224 H LEU 32 HN LEU 32 48.858 4.890 -6.978 225 HA LEU 32 HA LEU 32 46.246 3.844 -7.221 226 1HB LEU 32 HB1 LEU 32 48.219 2.397 -5.517 227 2HB LEU 32 HB2 LEU 32 48.768 2.866 -7.126 228 HG LEU 32 HG LEU 32 46.132 1.469 -6.677 229 1HD1 LEU 32 HD11 LEU 32 47.660 0.957 -9.121 230 2HD1 LEU 32 HD12 LEU 32 47.300 2.670 -8.904 231 3HD1 LEU 32 HD13 LEU 32 45.991 1.491 -8.933 232 1HD2 LEU 32 HD21 LEU 32 47.144 -0.609 -6.666 233 2HD2 LEU 32 HD22 LEU 32 48.405 0.315 -5.852 234 3HD2 LEU 32 HD23 LEU 32 48.548 -0.041 -7.571 235 H TRP 33 HN TRP 33 47.977 4.961 -4.371 236 HA TRP 33 HA TRP 33 46.150 3.876 -2.395 237 1HB TRP 33 HB1 TRP 33 47.443 5.270 -0.870 238 2HB TRP 33 HB2 TRP 33 48.027 6.261 -2.204 239 HD1 TRP 33 HD1 TRP 33 50.311 5.629 -3.097 240 HE1 TRP 33 HE1 TRP 33 51.791 3.519 -3.074 241 HE3 TRP 33 HE3 TRP 33 47.156 2.364 -0.762 242 HZ2 TRP 33 HZ2 TRP 33 51.652 0.807 -2.188 243 HZ3 TRP 33 HZ3 TRP 33 47.859 0.024 -0.338 244 HH2 TRP 33 HH2 TRP 33 50.100 -0.757 -1.049 245 H LYS 34 HN LYS 34 46.681 7.224 -3.585 246 HA LYS 34 HA LYS 34 44.469 8.464 -2.329 247 1HB LYS 34 HB1 LYS 34 44.687 9.922 -4.540 248 2HB LYS 34 HB2 LYS 34 46.107 8.910 -4.803 249 1HG LYS 34 HG1 LYS 34 47.067 10.598 -3.549 250 2HG LYS 34 HG2 LYS 34 46.559 9.527 -2.247 251 1HD LYS 34 HD1 LYS 34 44.874 10.937 -1.574 252 2HD LYS 34 HD2 LYS 34 44.531 11.476 -3.219 253 1HE LYS 34 HE1 LYS 34 46.802 12.710 -3.095 254 2HE LYS 34 HE2 LYS 34 46.708 12.431 -1.345 255 1HZ LYS 34 HZ1 LYS 34 45.621 14.500 -1.858 256 2HZ LYS 34 HZ2 LYS 34 44.425 13.368 -1.439 257 3HZ LYS 34 HZ3 LYS 34 44.684 13.772 -3.070 258 H ALA 35 HN ALA 35 44.623 6.585 -5.327 259 HA ALA 35 HA ALA 35 42.041 7.181 -6.389 260 1HB ALA 35 HB1 ALA 35 43.844 4.747 -6.481 261 2HB ALA 35 HB2 ALA 35 43.691 6.017 -7.695 262 3HB ALA 35 HB3 ALA 35 42.371 4.874 -7.443 263 H MET 36 HN MET 36 43.105 4.723 -4.037 264 HA MET 36 HA MET 36 40.631 3.335 -3.719 265 1HB MET 36 HB1 MET 36 41.847 3.286 -1.240 266 2HB MET 36 HB2 MET 36 43.192 3.708 -2.299 267 1HG MET 36 HG1 MET 36 43.202 1.665 -3.313 268 2HG MET 36 HG2 MET 36 41.443 1.547 -3.315 269 1HE MET 36 HE1 MET 36 44.485 0.444 -2.403 270 2HE MET 36 HE2 MET 36 43.677 -1.107 -2.194 271 3HE MET 36 HE3 MET 36 44.489 -0.353 -0.824 272 H GLU 37 HN GLU 37 41.949 6.138 -1.920 273 HA GLU 37 HA GLU 37 39.875 6.545 -0.052 274 1HB GLU 37 HB1 GLU 37 41.418 8.665 -1.580 275 2HB GLU 37 HB2 GLU 37 42.096 7.723 -0.252 276 1HG GLU 37 HG1 GLU 37 41.339 9.628 0.867 277 2HG GLU 37 HG2 GLU 37 39.954 8.550 1.039 278 H LYS 38 HN LYS 38 40.005 7.419 -3.479 279 HA LYS 38 HA LYS 38 37.436 8.876 -3.346 280 1HB LYS 38 HB1 LYS 38 39.144 8.118 -5.735 281 2HB LYS 38 HB2 LYS 38 39.466 9.531 -4.728 282 1HG LYS 38 HG1 LYS 38 37.068 10.253 -5.191 283 2HG LYS 38 HG2 LYS 38 37.003 8.970 -6.399 284 1HD LYS 38 HD1 LYS 38 38.379 10.087 -7.848 285 2HD LYS 38 HD2 LYS 38 39.362 10.767 -6.552 286 1HE LYS 38 HE1 LYS 38 38.252 12.689 -7.286 287 2HE LYS 38 HE2 LYS 38 37.098 12.122 -6.062 288 1HZ LYS 38 HZ1 LYS 38 35.912 12.457 -8.100 289 2HZ LYS 38 HZ2 LYS 38 36.056 10.779 -7.870 290 3HZ LYS 38 HZ3 LYS 38 37.057 11.576 -8.987 291 H SER 39 HN SER 39 38.658 5.700 -4.204 292 HA SER 39 HA SER 39 35.905 4.703 -4.559 293 1HB SER 39 HB1 SER 39 37.969 4.936 -6.752 294 2HB SER 39 HB2 SER 39 36.284 5.447 -6.780 295 HG SER 39 HG SER 39 35.644 3.307 -6.784 296 H SER 40 HN SER 40 37.009 3.697 -2.526 297 HA SER 40 HA SER 40 38.765 1.387 -3.262 298 1HB SER 40 HB1 SER 40 39.779 2.681 -1.577 299 2HB SER 40 HB2 SER 40 38.982 1.407 -0.657 300 HG SER 40 HG SER 40 38.631 3.692 0.004 301 H LEU 41 HN LEU 41 38.298 -0.505 -1.542 302 HA LEU 41 HA LEU 41 35.533 -1.372 -2.038 303 1HB LEU 41 HB1 LEU 41 37.546 -2.838 -0.354 304 2HB LEU 41 HB2 LEU 41 37.861 -2.646 -2.077 305 HG LEU 41 HG LEU 41 36.693 -4.773 -1.612 306 1HD1 LEU 41 HD11 LEU 41 34.220 -3.258 -0.851 307 2HD1 LEU 41 HD12 LEU 41 35.430 -3.590 0.389 308 3HD1 LEU 41 HD13 LEU 41 34.670 -4.923 -0.480 309 1HD2 LEU 41 HD21 LEU 41 35.325 -4.619 -3.459 310 2HD2 LEU 41 HD22 LEU 41 36.173 -3.084 -3.632 311 3HD2 LEU 41 HD23 LEU 41 34.567 -3.127 -2.905 312 H THR 42 HN THR 42 37.489 -0.255 0.676 313 HA THR 42 HA THR 42 35.094 -0.518 2.469 314 HB THR 42 HB THR 42 36.995 -0.487 4.246 315 HG1 THR 42 HG1 THR 42 38.715 0.100 3.026 316 1HG2 THR 42 HG21 THR 42 37.577 -2.974 3.457 317 2HG2 THR 42 HG22 THR 42 36.227 -2.668 2.365 318 3HG2 THR 42 HG23 THR 42 35.993 -2.554 4.110 319 H GLN 43 HN GLN 43 35.419 1.164 4.395 320 HA GLN 43 HA GLN 43 35.699 3.834 3.129 321 1HB GLN 43 HB1 GLN 43 34.929 4.087 5.814 322 2HB GLN 43 HB2 GLN 43 34.217 2.557 5.306 323 1HG GLN 43 HG1 GLN 43 33.955 5.106 3.691 324 2HG GLN 43 HG2 GLN 43 32.780 4.627 4.915 325 1HE2 GLN 43 HE21 GLN 43 31.200 4.453 3.061 326 2HE2 GLN 43 HE22 GLN 43 31.209 3.055 2.098 327 H HIS 44 HN HIS 44 37.983 4.129 3.028 328 HA HIS 44 HA HIS 44 39.284 4.681 5.646 329 1HB HIS 44 HB1 HIS 44 41.242 3.337 4.174 330 2HB HIS 44 HB2 HIS 44 39.778 2.411 3.852 331 HD1 HIS 44 HD1 HIS 44 42.137 3.369 6.590 332 HD2 HIS 44 HD2 HIS 44 38.639 1.146 6.155 333 HE1 HIS 44 HE1 HIS 44 41.846 2.071 8.740 334 H SER 45 HN SER 45 41.733 5.414 4.952 335 HA SER 45 HA SER 45 41.358 7.470 2.796 336 1HB SER 45 HB1 SER 45 41.772 8.683 4.722 337 2HB SER 45 HB2 SER 45 43.431 8.404 4.211 338 HG SER 45 HG SER 45 42.496 7.754 6.486 339 H TRP 46 HN TRP 46 43.969 8.173 2.310 340 HA TRP 46 HA TRP 46 45.073 5.673 1.111 341 1HB TRP 46 HB1 TRP 46 44.317 7.817 -0.181 342 2HB TRP 46 HB2 TRP 46 45.835 7.056 -0.644 343 HD1 TRP 46 HD1 TRP 46 44.418 10.256 0.730 344 HE1 TRP 46 HE1 TRP 46 46.331 11.950 1.100 345 HE3 TRP 46 HE3 TRP 46 48.438 7.195 0.040 346 HZ2 TRP 46 HZ2 TRP 46 49.201 11.987 1.104 347 HZ3 TRP 46 HZ3 TRP 46 50.744 8.074 0.233 348 HH2 TRP 46 HH2 TRP 46 51.131 10.461 0.764 349 H GLN 47 HN GLN 47 45.953 8.443 3.149 350 HA GLN 47 HA GLN 47 48.761 8.091 3.322 351 1HB GLN 47 HB1 GLN 47 48.309 9.098 5.679 352 2HB GLN 47 HB2 GLN 47 46.612 9.090 5.195 353 1HG GLN 47 HG1 GLN 47 47.187 10.430 3.196 354 2HG GLN 47 HG2 GLN 47 48.879 10.444 3.693 355 1HE2 GLN 47 HE21 GLN 47 48.954 12.759 4.058 356 2HE2 GLN 47 HE22 GLN 47 48.100 13.499 5.324 357 H SER 48 HN SER 48 46.371 6.907 5.730 358 HA SER 48 HA SER 48 48.163 5.171 7.122 359 1HB SER 48 HB1 SER 48 45.233 4.580 6.760 360 2HB SER 48 HB2 SER 48 45.723 6.053 7.593 361 HG SER 48 HG SER 48 45.661 4.613 9.191 362 H LEU 49 HN LEU 49 46.298 4.760 4.170 363 HA LEU 49 HA LEU 49 46.506 1.886 3.956 364 1HB LEU 49 HB1 LEU 49 46.259 3.983 1.775 365 2HB LEU 49 HB2 LEU 49 44.907 3.451 2.774 366 HG LEU 49 HG LEU 49 46.618 1.575 1.121 367 1HD1 LEU 49 HD11 LEU 49 44.601 0.089 1.487 368 2HD1 LEU 49 HD12 LEU 49 44.003 1.295 2.627 369 3HD1 LEU 49 HD13 LEU 49 45.517 0.450 2.950 370 1HD2 LEU 49 HD21 LEU 49 43.804 2.234 0.378 371 2HD2 LEU 49 HD22 LEU 49 45.164 1.796 -0.655 372 3HD2 LEU 49 HD23 LEU 49 45.040 3.432 -0.006 373 H LYS 50 HN LYS 50 48.333 4.550 2.402 374 HA LYS 50 HA LYS 50 50.260 2.883 1.077 375 1HB LYS 50 HB1 LYS 50 50.834 5.670 2.071 376 2HB LYS 50 HB2 LYS 50 49.585 5.420 0.850 377 1HG LYS 50 HG1 LYS 50 51.375 5.637 -0.569 378 2HG LYS 50 HG2 LYS 50 51.555 3.917 -0.221 379 1HD LYS 50 HD1 LYS 50 53.437 4.243 1.035 380 2HD LYS 50 HD2 LYS 50 52.826 5.737 1.745 381 1HE LYS 50 HE1 LYS 50 53.331 6.941 -0.362 382 2HE LYS 50 HE2 LYS 50 53.952 5.435 -1.067 383 1HZ LYS 50 HZ1 LYS 50 54.944 6.825 1.374 384 2HZ LYS 50 HZ2 LYS 50 55.772 6.654 -0.099 385 3HZ LYS 50 HZ3 LYS 50 55.472 5.293 0.874 386 H ASP 51 HN ASP 51 50.243 4.476 4.258 387 HA ASP 51 HA ASP 51 52.942 3.866 5.015 388 1HB ASP 51 HB1 ASP 51 50.767 3.920 7.052 389 2HB ASP 51 HB2 ASP 51 50.913 5.337 6.012 390 H ARG 52 HN ARG 52 49.888 2.080 5.481 391 HA ARG 52 HA ARG 52 50.884 -0.008 7.135 392 1HB ARG 52 HB1 ARG 52 48.647 0.189 5.102 393 2HB ARG 52 HB2 ARG 52 48.530 0.355 6.849 394 1HG ARG 52 HG1 ARG 52 49.102 -2.181 5.292 395 2HG ARG 52 HG2 ARG 52 47.666 -1.826 6.241 396 1HD ARG 52 HD1 ARG 52 49.926 -1.503 7.973 397 2HD ARG 52 HD2 ARG 52 50.109 -3.051 7.126 398 HE ARG 52 HE ARG 52 47.776 -3.589 7.884 399 1HH1 ARG 52 HH11 ARG 52 47.697 -0.497 8.722 400 2HH1 ARG 52 HH12 ARG 52 47.529 -0.704 10.434 401 1HH2 ARG 52 HH21 ARG 52 48.321 -4.078 10.370 402 2HH2 ARG 52 HH22 ARG 52 47.881 -2.731 11.367 403 H TYR 53 HN TYR 53 50.818 0.261 3.565 404 HA TYR 53 HA TYR 53 51.719 -2.366 2.931 405 1HB TYR 53 HB1 TYR 53 52.568 0.102 1.435 406 2HB TYR 53 HB2 TYR 53 50.873 -0.382 1.470 407 HD1 TYR 53 HD1 TYR 53 50.404 -2.917 0.925 408 HD2 TYR 53 HD2 TYR 53 53.993 -0.826 -0.170 409 HE1 TYR 53 HE1 TYR 53 50.862 -4.618 -0.820 410 HE2 TYR 53 HE2 TYR 53 54.450 -2.527 -1.916 411 HH TYR 53 HH TYR 53 52.212 -4.615 -3.078 412 H LEU 54 HN LEU 54 53.617 0.618 3.452 413 HA LEU 54 HA LEU 54 56.177 -0.798 3.270 414 1HB LEU 54 HB1 LEU 54 56.943 1.530 4.067 415 2HB LEU 54 HB2 LEU 54 55.241 1.985 3.968 416 HG LEU 54 HG LEU 54 55.351 0.988 1.567 417 1HD1 LEU 54 HD11 LEU 54 56.369 3.165 0.720 418 2HD1 LEU 54 HD12 LEU 54 56.705 3.563 2.405 419 3HD1 LEU 54 HD13 LEU 54 55.040 3.346 1.865 420 1HD2 LEU 54 HD21 LEU 54 57.409 0.577 0.617 421 2HD2 LEU 54 HD22 LEU 54 57.813 0.184 2.289 422 3HD2 LEU 54 HD23 LEU 54 58.229 1.766 1.631 423 H LYS 55 HN LYS 55 53.927 0.082 5.808 424 HA LYS 55 HA LYS 55 55.620 0.148 8.080 425 1HB LYS 55 HB1 LYS 55 53.322 -0.996 9.000 426 2HB LYS 55 HB2 LYS 55 52.779 -0.384 7.439 427 1HG LYS 55 HG1 LYS 55 52.441 1.338 9.135 428 2HG LYS 55 HG2 LYS 55 53.721 1.853 8.037 429 1HD LYS 55 HD1 LYS 55 54.764 0.279 10.276 430 2HD LYS 55 HD2 LYS 55 53.893 1.709 10.825 431 1HE LYS 55 HE1 LYS 55 55.337 2.816 8.815 432 2HE LYS 55 HE2 LYS 55 56.443 1.517 9.304 433 1HZ LYS 55 HZ1 LYS 55 56.275 2.237 11.575 434 2HZ LYS 55 HZ2 LYS 55 55.091 3.391 11.183 435 3HZ LYS 55 HZ3 LYS 55 56.687 3.587 10.635 436 H HIS 56 HN HIS 56 53.770 -2.696 6.855 437 HA HIS 56 HA HIS 56 56.018 -4.471 7.453 438 1HB HIS 56 HB1 HIS 56 55.132 -4.073 9.686 439 2HB HIS 56 HB2 HIS 56 54.773 -5.726 9.202 440 HD1 HIS 56 HD1 HIS 56 52.958 -4.948 11.293 441 HD2 HIS 56 HD2 HIS 56 52.193 -3.794 7.362 442 HE1 HIS 56 HE1 HIS 56 50.483 -4.441 11.166 443 H LEU 57 HN LEU 57 54.502 -4.037 5.044 444 HA LEU 57 HA LEU 57 53.074 -6.676 4.821 445 1HB LEU 57 HB1 LEU 57 51.926 -5.517 2.856 446 2HB LEU 57 HB2 LEU 57 52.681 -4.027 3.406 447 HG LEU 57 HG LEU 57 51.523 -4.160 5.536 448 1HD1 LEU 57 HD11 LEU 57 49.839 -4.580 3.069 449 2HD1 LEU 57 HD12 LEU 57 50.192 -3.073 3.912 450 3HD1 LEU 57 HD13 LEU 57 49.101 -4.251 4.637 451 1HD2 LEU 57 HD21 LEU 57 50.911 -6.924 4.584 452 2HD2 LEU 57 HD22 LEU 57 49.653 -6.106 5.510 453 3HD2 LEU 57 HD23 LEU 57 51.250 -6.352 6.217 454 H ARG 58 HN ARG 58 54.660 -4.325 2.615 455 HA ARG 58 HA ARG 58 55.485 -6.265 0.688 456 1HB ARG 58 HB1 ARG 58 55.365 -3.841 0.288 457 2HB ARG 58 HB2 ARG 58 56.990 -4.428 -0.060 458 1HG ARG 58 HG1 ARG 58 57.119 -3.798 2.644 459 2HG ARG 58 HG2 ARG 58 56.083 -2.530 1.991 460 1HD ARG 58 HD1 ARG 58 58.264 -1.651 1.696 461 2HD ARG 58 HD2 ARG 58 57.915 -2.363 0.110 462 HE ARG 58 HE ARG 58 59.005 -4.471 1.521 463 1HH1 ARG 58 HH11 ARG 58 60.162 -1.705 2.716 464 2HH1 ARG 58 HH12 ARG 58 61.752 -1.794 2.036 465 1HH2 ARG 58 HH21 ARG 58 60.968 -4.384 -0.133 466 2HH2 ARG 58 HH22 ARG 58 62.209 -3.312 0.423 467 H GLY 59 HN GLY 59 57.835 -6.828 0.235 468 1HA GLY 59 HA1 GLY 59 59.159 -7.623 2.780 469 2HA GLY 59 HA2 GLY 59 60.107 -6.760 1.568 Start of MODEL 16 1 1H GLY 1 HT1 GLY 1 32.934 4.386 10.029 2 2H GLY 1 HT2 GLY 1 32.577 5.985 9.575 3 3H GLY 1 HT3 GLY 1 32.610 5.552 11.217 4 1HA GLY 1 HA1 GLY 1 34.636 6.595 10.975 5 2HA GLY 1 HA2 GLY 1 34.855 5.941 9.350 6 H ARG 2 HN ARG 2 35.497 3.711 9.143 7 HA ARG 2 HA ARG 2 36.105 2.159 11.581 8 1HB ARG 2 HB1 ARG 2 37.029 0.675 9.539 9 2HB ARG 2 HB2 ARG 2 35.986 1.765 8.624 10 1HG ARG 2 HG1 ARG 2 34.594 -0.075 9.226 11 2HG ARG 2 HG2 ARG 2 34.169 1.213 10.354 12 1HD ARG 2 HD1 ARG 2 35.562 0.218 12.092 13 2HD ARG 2 HD2 ARG 2 36.172 -0.997 10.953 14 HE ARG 2 HE ARG 2 33.280 -1.018 11.017 15 1HH1 ARG 2 HH11 ARG 2 33.164 -3.466 11.153 16 2HH1 ARG 2 HH12 ARG 2 33.690 -4.112 12.671 17 1HH2 ARG 2 HH21 ARG 2 35.236 -1.178 13.685 18 2HH2 ARG 2 HH22 ARG 2 34.865 -2.817 14.105 19 H ILE 3 HN ILE 3 37.928 2.968 12.619 20 HA ILE 3 HA ILE 3 40.323 3.670 10.986 21 HB ILE 3 HB ILE 3 39.408 5.271 12.647 22 1HG1 ILE 3 HG11 ILE 3 42.108 4.068 13.331 23 2HG1 ILE 3 HG12 ILE 3 41.544 5.633 13.915 24 1HG2 ILE 3 HG21 ILE 3 40.311 3.928 15.051 25 2HG2 ILE 3 HG22 ILE 3 39.090 2.956 14.231 26 3HG2 ILE 3 HG23 ILE 3 38.729 4.619 14.691 27 1HD1 ILE 3 HD11 ILE 3 42.425 4.824 11.190 28 2HD1 ILE 3 HD12 ILE 3 42.605 6.372 12.018 29 3HD1 ILE 3 HD13 ILE 3 41.064 5.944 11.275 30 H ALA 4 HN ALA 4 40.337 1.137 10.678 31 HA ALA 4 HA ALA 4 42.470 0.065 12.351 32 1HB ALA 4 HB1 ALA 4 39.614 -0.509 12.862 33 2HB ALA 4 HB2 ALA 4 40.999 -0.652 13.945 34 3HB ALA 4 HB3 ALA 4 40.648 -1.936 12.787 35 H PHE 5 HN PHE 5 42.601 -2.475 11.744 36 HA PHE 5 HA PHE 5 41.815 -2.889 8.893 37 1HB PHE 5 HB1 PHE 5 44.226 -3.610 8.516 38 2HB PHE 5 HB2 PHE 5 44.594 -2.925 10.100 39 HD1 PHE 5 HD1 PHE 5 44.753 -0.556 10.427 40 HD2 PHE 5 HD2 PHE 5 43.332 -2.137 6.694 41 HE1 PHE 5 HE1 PHE 5 44.911 1.701 9.411 42 HE2 PHE 5 HE2 PHE 5 43.490 0.120 5.678 43 HZ PHE 5 HZ PHE 5 44.280 2.039 7.036 44 H THR 6 HN THR 6 40.405 -4.581 9.612 45 HA THR 6 HA THR 6 41.459 -6.785 11.263 46 HB THR 6 HB THR 6 39.115 -7.627 10.902 47 HG1 THR 6 HG1 THR 6 38.673 -6.820 8.896 48 1HG2 THR 6 HG21 THR 6 39.833 -4.971 12.012 49 2HG2 THR 6 HG22 THR 6 39.070 -6.352 12.799 50 3HG2 THR 6 HG23 THR 6 38.111 -5.273 11.785 51 H ASP 7 HN ASP 7 40.326 -9.012 10.088 52 HA ASP 7 HA ASP 7 42.224 -9.706 8.031 53 1HB ASP 7 HB1 ASP 7 40.545 -11.713 7.884 54 2HB ASP 7 HB2 ASP 7 39.757 -10.929 9.255 55 H ALA 8 HN ALA 8 38.855 -8.625 7.970 56 HA ALA 8 HA ALA 8 38.429 -9.161 5.139 57 1HB ALA 8 HB1 ALA 8 36.301 -8.358 5.605 58 2HB ALA 8 HB2 ALA 8 36.904 -7.092 6.674 59 3HB ALA 8 HB3 ALA 8 36.827 -8.761 7.239 60 H ASP 9 HN ASP 9 39.489 -6.375 7.051 61 HA ASP 9 HA ASP 9 39.376 -4.435 4.907 62 1HB ASP 9 HB1 ASP 9 40.891 -3.184 6.527 63 2HB ASP 9 HB2 ASP 9 40.863 -4.626 7.542 64 H ASP 10 HN ASP 10 42.029 -6.397 6.289 65 HA ASP 10 HA ASP 10 44.134 -5.408 4.629 66 1HB ASP 10 HB1 ASP 10 45.060 -7.782 5.198 67 2HB ASP 10 HB2 ASP 10 43.577 -7.963 6.134 68 H VAL 11 HN VAL 11 41.930 -8.185 4.192 69 HA VAL 11 HA VAL 11 43.030 -9.153 1.737 70 HB VAL 11 HB VAL 11 40.196 -9.210 2.837 71 1HG1 VAL 11 HG11 VAL 11 41.551 -11.006 0.797 72 2HG1 VAL 11 HG12 VAL 11 40.306 -9.809 0.434 73 3HG1 VAL 11 HG13 VAL 11 39.919 -11.212 1.429 74 1HG2 VAL 11 HG21 VAL 11 42.343 -10.162 4.109 75 2HG2 VAL 11 HG22 VAL 11 42.117 -11.500 2.983 76 3HG2 VAL 11 HG23 VAL 11 40.821 -11.053 4.092 77 H ALA 12 HN ALA 12 40.868 -6.471 2.439 78 HA ALA 12 HA ALA 12 39.967 -6.099 -0.316 79 1HB ALA 12 HB1 ALA 12 39.929 -3.882 1.670 80 2HB ALA 12 HB2 ALA 12 39.084 -5.359 2.134 81 3HB ALA 12 HB3 ALA 12 38.625 -4.506 0.660 82 H ILE 13 HN ILE 13 42.327 -4.473 1.823 83 HA ILE 13 HA ILE 13 43.217 -2.562 -0.163 84 HB ILE 13 HB ILE 13 44.498 -3.655 2.369 85 1HG1 ILE 13 HG11 ILE 13 42.143 -2.366 2.234 86 2HG1 ILE 13 HG12 ILE 13 43.215 -0.967 2.198 87 1HG2 ILE 13 HG21 ILE 13 45.829 -1.587 2.350 88 2HG2 ILE 13 HG22 ILE 13 45.072 -1.100 0.833 89 3HG2 ILE 13 HG23 ILE 13 46.124 -2.514 0.878 90 1HD1 ILE 13 HD11 ILE 13 42.407 -1.963 4.508 91 2HD1 ILE 13 HD12 ILE 13 44.068 -1.402 4.319 92 3HD1 ILE 13 HD13 ILE 13 43.703 -3.125 4.224 93 H LEU 14 HN LEU 14 44.188 -5.835 0.727 94 HA LEU 14 HA LEU 14 46.691 -5.879 -0.727 95 1HB LEU 14 HB1 LEU 14 44.752 -8.019 0.215 96 2HB LEU 14 HB2 LEU 14 46.175 -7.435 1.075 97 HG LEU 14 HG LEU 14 46.267 -8.804 -1.628 98 1HD1 LEU 14 HD11 LEU 14 48.182 -7.374 -1.268 99 2HD1 LEU 14 HD12 LEU 14 48.701 -9.035 -0.985 100 3HD1 LEU 14 HD13 LEU 14 48.379 -7.968 0.380 101 1HD2 LEU 14 HD21 LEU 14 46.804 -10.824 -0.532 102 2HD2 LEU 14 HD22 LEU 14 45.483 -10.176 0.440 103 3HD2 LEU 14 HD23 LEU 14 47.148 -10.010 0.995 104 H THR 15 HN THR 15 43.548 -7.434 -1.493 105 HA THR 15 HA THR 15 44.056 -8.285 -4.112 106 HB THR 15 HB THR 15 41.500 -7.044 -3.045 107 HG1 THR 15 HG1 THR 15 41.292 -8.773 -1.871 108 1HG2 THR 15 HG21 THR 15 41.443 -7.530 -5.449 109 2HG2 THR 15 HG22 THR 15 40.423 -8.671 -4.572 110 3HG2 THR 15 HG23 THR 15 42.016 -9.171 -5.144 111 H TYR 16 HN TYR 16 43.069 -5.033 -3.043 112 HA TYR 16 HA TYR 16 42.731 -3.903 -5.682 113 1HB TYR 16 HB1 TYR 16 43.491 -2.569 -3.059 114 2HB TYR 16 HB2 TYR 16 41.845 -3.024 -3.493 115 HD1 TYR 16 HD1 TYR 16 44.771 -1.057 -4.772 116 HD2 TYR 16 HD2 TYR 16 40.501 -1.522 -4.685 117 HE1 TYR 16 HE1 TYR 16 44.514 1.067 -6.022 118 HE2 TYR 16 HE2 TYR 16 40.245 0.603 -5.934 119 HH TYR 16 HH TYR 16 42.735 2.828 -6.309 120 H VAL 17 HN VAL 17 45.400 -3.676 -3.313 121 HA VAL 17 HA VAL 17 47.228 -2.250 -5.007 122 HB VAL 17 HB VAL 17 47.649 -4.140 -2.661 123 1HG1 VAL 17 HG11 VAL 17 49.484 -1.973 -3.727 124 2HG1 VAL 17 HG12 VAL 17 49.721 -3.701 -3.996 125 3HG1 VAL 17 HG13 VAL 17 49.800 -3.043 -2.361 126 1HG2 VAL 17 HG21 VAL 17 47.171 -2.378 -1.274 127 2HG2 VAL 17 HG22 VAL 17 46.218 -1.841 -2.658 128 3HG2 VAL 17 HG23 VAL 17 47.833 -1.185 -2.392 129 H LYS 18 HN LYS 18 47.058 -5.745 -4.199 130 HA LYS 18 HA LYS 18 49.181 -6.687 -5.793 131 1HB LYS 18 HB1 LYS 18 46.501 -8.026 -5.314 132 2HB LYS 18 HB2 LYS 18 47.783 -7.927 -4.107 133 1HG LYS 18 HG1 LYS 18 48.650 -9.818 -4.990 134 2HG LYS 18 HG2 LYS 18 49.045 -8.891 -6.436 135 1HD LYS 18 HD1 LYS 18 46.745 -9.373 -7.308 136 2HD LYS 18 HD2 LYS 18 46.470 -10.405 -5.904 137 1HE LYS 18 HE1 LYS 18 48.972 -11.192 -7.056 138 2HE LYS 18 HE2 LYS 18 47.782 -11.086 -8.368 139 1HZ LYS 18 HZ1 LYS 18 47.769 -13.244 -7.136 140 2HZ LYS 18 HZ2 LYS 18 46.274 -12.437 -7.128 141 3HZ LYS 18 HZ3 LYS 18 47.269 -12.404 -5.751 142 H GLU 19 HN GLU 19 45.976 -5.643 -6.795 143 HA GLU 19 HA GLU 19 46.153 -6.852 -9.465 144 1HB GLU 19 HB1 GLU 19 44.124 -5.054 -9.579 145 2HB GLU 19 HB2 GLU 19 44.269 -5.236 -7.831 146 1HG GLU 19 HG1 GLU 19 43.554 -7.416 -7.870 147 2HG GLU 19 HG2 GLU 19 44.342 -7.752 -9.412 148 H ASN 20 HN ASN 20 45.897 -3.443 -8.368 149 HA ASN 20 HA ASN 20 46.898 -2.414 -10.915 150 1HB ASN 20 HB1 ASN 20 46.672 -0.252 -9.720 151 2HB ASN 20 HB2 ASN 20 46.433 -1.126 -8.210 152 1HD2 ASN 20 HD21 ASN 20 44.304 0.119 -8.244 153 2HD2 ASN 20 HD22 ASN 20 43.002 -0.568 -9.088 154 H ALA 21 HN ALA 21 48.113 -2.048 -7.571 155 HA ALA 21 HA ALA 21 50.636 -0.980 -8.069 156 1HB ALA 21 HB1 ALA 21 50.963 -1.439 -5.842 157 2HB ALA 21 HB2 ALA 21 50.433 -3.113 -6.003 158 3HB ALA 21 HB3 ALA 21 49.243 -1.815 -5.919 159 H ARG 22 HN ARG 22 51.703 -1.847 -9.890 160 HA ARG 22 HA ARG 22 53.127 -4.400 -9.419 161 1HB ARG 22 HB1 ARG 22 51.611 -3.939 -11.997 162 2HB ARG 22 HB2 ARG 22 50.869 -4.760 -10.625 163 1HG ARG 22 HG1 ARG 22 53.558 -5.773 -11.267 164 2HG ARG 22 HG2 ARG 22 52.408 -5.977 -12.587 165 1HD ARG 22 HD1 ARG 22 52.403 -7.935 -11.032 166 2HD ARG 22 HD2 ARG 22 50.832 -7.111 -11.044 167 HE ARG 22 HE ARG 22 51.491 -6.017 -8.924 168 1HH1 ARG 22 HH11 ARG 22 53.900 -5.753 -8.036 169 2HH1 ARG 22 HH12 ARG 22 54.497 -7.260 -7.422 170 1HH2 ARG 22 HH21 ARG 22 52.089 -9.170 -9.027 171 2HH2 ARG 22 HH22 ARG 22 53.471 -9.194 -7.983 172 H SER 23 HN SER 23 53.738 -1.457 -9.693 173 HA SER 23 HA SER 23 55.982 -1.727 -11.591 174 1HB SER 23 HB1 SER 23 53.834 -1.008 -12.808 175 2HB SER 23 HB2 SER 23 55.239 0.030 -13.036 176 HG SER 23 HG SER 23 54.275 1.581 -12.022 177 HA PRO 24 HA PRO 24 57.790 1.018 -8.646 178 1HB PRO 24 HB1 PRO 24 59.828 0.700 -9.690 179 2HB PRO 24 HB2 PRO 24 59.602 2.395 -10.165 180 1HG PRO 24 HG1 PRO 24 59.955 0.442 -11.965 181 2HG PRO 24 HG2 PRO 24 58.905 1.832 -12.280 182 1HD PRO 24 HD1 PRO 24 58.193 -0.987 -11.677 183 2HD PRO 24 HD2 PRO 24 57.317 0.226 -12.636 184 H SER 25 HN SER 25 55.423 2.069 -8.975 185 HA SER 25 HA SER 25 55.852 4.971 -9.134 186 1HB SER 25 HB1 SER 25 53.749 3.917 -10.976 187 2HB SER 25 HB2 SER 25 55.426 3.773 -11.494 188 HG SER 25 HG SER 25 53.914 6.069 -10.992 189 H SER 26 HN SER 26 53.364 2.398 -9.165 190 HA SER 26 HA SER 26 51.313 3.912 -7.845 191 1HB SER 26 HB1 SER 26 50.766 1.937 -9.075 192 2HB SER 26 HB2 SER 26 50.460 1.538 -7.388 193 HG SER 26 HG SER 26 52.175 0.393 -9.082 194 H VAL 27 HN VAL 27 53.333 1.271 -6.484 195 HA VAL 27 HA VAL 27 52.621 1.869 -3.750 196 HB VAL 27 HB VAL 27 54.403 0.210 -3.268 197 1HG1 VAL 27 HG11 VAL 27 53.408 -1.640 -4.535 198 2HG1 VAL 27 HG12 VAL 27 52.703 -0.495 -5.677 199 3HG1 VAL 27 HG13 VAL 27 52.152 -0.522 -4.001 200 1HG2 VAL 27 HG21 VAL 27 55.867 1.134 -5.207 201 2HG2 VAL 27 HG22 VAL 27 54.906 0.082 -6.245 202 3HG2 VAL 27 HG23 VAL 27 55.868 -0.608 -4.938 203 H THR 28 HN THR 28 54.981 3.250 -5.897 204 HA THR 28 HA THR 28 56.659 4.290 -3.685 205 HB THR 28 HB THR 28 56.811 4.830 -6.662 206 HG1 THR 28 HG1 THR 28 58.257 3.025 -6.637 207 1HG2 THR 28 HG21 THR 28 58.182 6.148 -4.923 208 2HG2 THR 28 HG22 THR 28 59.071 5.395 -6.248 209 3HG2 THR 28 HG23 THR 28 59.054 4.639 -4.655 210 H GLY 29 HN GLY 29 54.358 5.464 -6.131 211 1HA GLY 29 HA1 GLY 29 53.670 7.728 -6.530 212 2HA GLY 29 HA2 GLY 29 54.645 8.241 -5.153 213 H ASN 30 HN ASN 30 51.809 8.841 -5.747 214 HA ASN 30 HA ASN 30 50.426 7.440 -3.492 215 1HB ASN 30 HB1 ASN 30 49.685 9.690 -2.715 216 2HB ASN 30 HB2 ASN 30 50.677 10.427 -3.975 217 1HD2 ASN 30 HD21 ASN 30 52.487 11.284 -2.922 218 2HD2 ASN 30 HD22 ASN 30 53.426 10.452 -1.778 219 H ALA 31 HN ALA 31 50.142 7.233 -6.440 220 HA ALA 31 HA ALA 31 47.627 8.659 -7.073 221 1HB ALA 31 HB1 ALA 31 48.198 6.953 -9.152 222 2HB ALA 31 HB2 ALA 31 49.795 7.202 -8.446 223 3HB ALA 31 HB3 ALA 31 48.849 8.585 -8.998 224 H LEU 32 HN LEU 32 48.716 5.247 -7.139 225 HA LEU 32 HA LEU 32 46.181 4.023 -7.470 226 1HB LEU 32 HB1 LEU 32 48.131 2.651 -5.718 227 2HB LEU 32 HB2 LEU 32 48.808 3.259 -7.228 228 HG LEU 32 HG LEU 32 46.270 1.619 -7.115 229 1HD1 LEU 32 HD11 LEU 32 47.291 3.152 -9.129 230 2HD1 LEU 32 HD12 LEU 32 46.324 1.702 -9.398 231 3HD1 LEU 32 HD13 LEU 32 48.084 1.612 -9.459 232 1HD2 LEU 32 HD21 LEU 32 48.891 0.736 -6.488 233 2HD2 LEU 32 HD22 LEU 32 48.577 0.195 -8.135 234 3HD2 LEU 32 HD23 LEU 32 47.484 -0.266 -6.832 235 H TRP 33 HN TRP 33 47.831 5.126 -4.540 236 HA TRP 33 HA TRP 33 45.906 3.981 -2.678 237 1HB TRP 33 HB1 TRP 33 47.205 5.212 -1.034 238 2HB TRP 33 HB2 TRP 33 47.859 6.275 -2.279 239 HD1 TRP 33 HD1 TRP 33 49.955 5.521 -3.534 240 HE1 TRP 33 HE1 TRP 33 51.443 3.425 -3.492 241 HE3 TRP 33 HE3 TRP 33 47.087 2.459 -0.616 242 HZ2 TRP 33 HZ2 TRP 33 51.424 0.795 -2.384 243 HZ3 TRP 33 HZ3 TRP 33 47.851 0.158 -0.088 244 HH2 TRP 33 HH2 TRP 33 50.018 -0.675 -0.966 245 H LYS 34 HN LYS 34 46.540 7.301 -3.880 246 HA LYS 34 HA LYS 34 44.414 8.631 -2.536 247 1HB LYS 34 HB1 LYS 34 44.641 10.075 -4.770 248 2HB LYS 34 HB2 LYS 34 46.037 9.029 -5.023 249 1HG LYS 34 HG1 LYS 34 47.099 10.619 -3.756 250 2HG LYS 34 HG2 LYS 34 46.416 9.695 -2.419 251 1HD LYS 34 HD1 LYS 34 44.625 11.217 -2.137 252 2HD LYS 34 HD2 LYS 34 44.869 11.931 -3.732 253 1HE LYS 34 HE1 LYS 34 46.843 13.077 -3.024 254 2HE LYS 34 HE2 LYS 34 46.968 12.099 -1.548 255 1HZ LYS 34 HZ1 LYS 34 45.930 14.336 -1.225 256 2HZ LYS 34 HZ2 LYS 34 44.944 13.040 -0.738 257 3HZ LYS 34 HZ3 LYS 34 44.644 13.835 -2.211 258 H ALA 35 HN ALA 35 44.457 6.800 -5.575 259 HA ALA 35 HA ALA 35 41.822 7.456 -6.502 260 1HB ALA 35 HB1 ALA 35 42.354 5.909 -8.121 261 2HB ALA 35 HB2 ALA 35 42.885 4.714 -6.938 262 3HB ALA 35 HB3 ALA 35 43.962 6.029 -7.406 263 H MET 36 HN MET 36 43.045 4.964 -4.286 264 HA MET 36 HA MET 36 40.609 3.497 -3.921 265 1HB MET 36 HB1 MET 36 42.007 3.394 -1.514 266 2HB MET 36 HB2 MET 36 43.259 3.802 -2.684 267 1HG MET 36 HG1 MET 36 43.215 1.735 -3.607 268 2HG MET 36 HG2 MET 36 41.455 1.710 -3.669 269 1HE MET 36 HE1 MET 36 44.538 0.019 -1.855 270 2HE MET 36 HE2 MET 36 44.216 0.604 -0.224 271 3HE MET 36 HE3 MET 36 44.461 1.757 -1.533 272 H GLU 37 HN GLU 37 42.004 6.259 -2.123 273 HA GLU 37 HA GLU 37 40.074 6.560 -0.088 274 1HB GLU 37 HB1 GLU 37 41.226 8.920 -1.555 275 2HB GLU 37 HB2 GLU 37 42.306 7.810 -0.711 276 1HG GLU 37 HG1 GLU 37 41.792 9.456 0.911 277 2HG GLU 37 HG2 GLU 37 40.712 8.118 1.306 278 H LYS 38 HN LYS 38 39.915 7.501 -3.493 279 HA LYS 38 HA LYS 38 37.361 8.941 -3.161 280 1HB LYS 38 HB1 LYS 38 37.773 8.644 -5.841 281 2HB LYS 38 HB2 LYS 38 39.416 8.429 -5.238 282 1HG LYS 38 HG1 LYS 38 39.506 10.581 -4.343 283 2HG LYS 38 HG2 LYS 38 37.750 10.704 -4.202 284 1HD LYS 38 HD1 LYS 38 37.479 11.132 -6.502 285 2HD LYS 38 HD2 LYS 38 39.069 10.482 -6.904 286 1HE LYS 38 HE1 LYS 38 39.651 12.713 -6.958 287 2HE LYS 38 HE2 LYS 38 39.756 12.515 -5.196 288 1HZ LYS 38 HZ1 LYS 38 37.239 13.165 -6.640 289 2HZ LYS 38 HZ2 LYS 38 38.254 14.352 -5.971 290 3HZ LYS 38 HZ3 LYS 38 37.506 13.206 -4.965 291 H SER 39 HN SER 39 38.477 5.729 -4.024 292 HA SER 39 HA SER 39 35.706 4.734 -4.054 293 1HB SER 39 HB1 SER 39 36.701 3.682 -6.428 294 2HB SER 39 HB2 SER 39 37.278 5.345 -6.453 295 HG SER 39 HG SER 39 34.622 4.430 -6.198 296 H SER 40 HN SER 40 37.004 3.761 -2.139 297 HA SER 40 HA SER 40 38.661 1.423 -3.021 298 1HB SER 40 HB1 SER 40 39.888 2.816 -1.552 299 2HB SER 40 HB2 SER 40 39.275 1.545 -0.500 300 HG SER 40 HG SER 40 38.720 3.364 0.532 301 H LEU 41 HN LEU 41 38.416 -0.449 -1.306 302 HA LEU 41 HA LEU 41 35.554 -1.174 -1.231 303 1HB LEU 41 HB1 LEU 41 37.735 -2.882 -0.108 304 2HB LEU 41 HB2 LEU 41 37.790 -2.528 -1.838 305 HG LEU 41 HG LEU 41 35.189 -3.399 -0.619 306 1HD1 LEU 41 HD11 LEU 41 36.532 -3.939 -3.286 307 2HD1 LEU 41 HD12 LEU 41 35.362 -2.653 -2.987 308 3HD1 LEU 41 HD13 LEU 41 34.869 -4.341 -2.856 309 1HD2 LEU 41 HD21 LEU 41 36.653 -5.089 0.255 310 2HD2 LEU 41 HD22 LEU 41 37.557 -5.177 -1.257 311 3HD2 LEU 41 HD23 LEU 41 35.901 -5.780 -1.183 312 H THR 42 HN THR 42 38.110 -0.204 0.982 313 HA THR 42 HA THR 42 36.298 -0.697 3.319 314 HB THR 42 HB THR 42 39.226 -0.017 3.484 315 HG1 THR 42 HG1 THR 42 39.793 -2.001 2.909 316 1HG2 THR 42 HG21 THR 42 37.135 -1.283 5.167 317 2HG2 THR 42 HG22 THR 42 38.488 -0.251 5.633 318 3HG2 THR 42 HG23 THR 42 38.758 -1.960 5.295 319 H GLN 43 HN GLN 43 36.918 1.045 5.137 320 HA GLN 43 HA GLN 43 36.598 3.727 3.863 321 1HB GLN 43 HB1 GLN 43 35.767 4.234 6.251 322 2HB GLN 43 HB2 GLN 43 35.846 2.491 6.518 323 1HG GLN 43 HG1 GLN 43 34.488 2.443 4.227 324 2HG GLN 43 HG2 GLN 43 34.027 4.067 4.737 325 1HE2 GLN 43 HE21 GLN 43 33.653 0.640 5.436 326 2HE2 GLN 43 HE22 GLN 43 32.512 0.825 6.680 327 H HIS 44 HN HIS 44 38.774 4.356 3.571 328 HA HIS 44 HA HIS 44 40.193 5.213 5.992 329 1HB HIS 44 HB1 HIS 44 42.176 3.710 4.694 330 2HB HIS 44 HB2 HIS 44 40.741 2.684 4.620 331 HD1 HIS 44 HD1 HIS 44 42.978 4.453 7.096 332 HD2 HIS 44 HD2 HIS 44 39.900 1.641 7.089 333 HE1 HIS 44 HE1 HIS 44 42.836 3.551 9.451 334 H SER 45 HN SER 45 42.004 6.599 5.479 335 HA SER 45 HA SER 45 41.676 8.151 3.054 336 1HB SER 45 HB1 SER 45 42.515 9.369 4.857 337 2HB SER 45 HB2 SER 45 44.009 9.015 4.000 338 HG SER 45 HG SER 45 43.365 8.316 6.457 339 H TRP 46 HN TRP 46 44.237 8.589 2.089 340 HA TRP 46 HA TRP 46 44.799 6.006 0.737 341 1HB TRP 46 HB1 TRP 46 44.334 8.253 -0.417 342 2HB TRP 46 HB2 TRP 46 45.770 7.393 -0.961 343 HD1 TRP 46 HD1 TRP 46 44.674 10.648 0.485 344 HE1 TRP 46 HE1 TRP 46 46.737 12.114 0.991 345 HE3 TRP 46 HE3 TRP 46 48.365 7.176 -0.068 346 HZ2 TRP 46 HZ2 TRP 46 49.589 11.839 1.146 347 HZ3 TRP 46 HZ3 TRP 46 50.743 7.796 0.262 348 HH2 TRP 46 HH2 TRP 46 51.357 10.116 0.870 349 H GLN 47 HN GLN 47 46.321 8.416 2.821 350 HA GLN 47 HA GLN 47 49.018 7.412 2.695 351 1HB GLN 47 HB1 GLN 47 47.978 8.688 5.177 352 2HB GLN 47 HB2 GLN 47 47.789 9.607 3.683 353 1HG GLN 47 HG1 GLN 47 50.081 9.803 3.361 354 2HG GLN 47 HG2 GLN 47 50.437 8.323 4.248 355 1HE2 GLN 47 HE21 GLN 47 51.946 10.532 4.940 356 2HE2 GLN 47 HE22 GLN 47 51.450 11.153 6.441 357 H SER 48 HN SER 48 46.385 6.871 5.073 358 HA SER 48 HA SER 48 47.747 5.147 6.860 359 1HB SER 48 HB1 SER 48 44.867 4.870 5.955 360 2HB SER 48 HB2 SER 48 45.414 6.186 6.989 361 HG SER 48 HG SER 48 46.110 4.673 8.503 362 H LEU 49 HN LEU 49 46.341 4.493 3.701 363 HA LEU 49 HA LEU 49 46.588 1.581 3.902 364 1HB LEU 49 HB1 LEU 49 45.792 1.670 1.594 365 2HB LEU 49 HB2 LEU 49 46.179 3.385 1.491 366 HG LEU 49 HG LEU 49 44.502 3.878 3.219 367 1HD1 LEU 49 HD11 LEU 49 43.725 3.990 0.950 368 2HD1 LEU 49 HD12 LEU 49 42.472 3.159 1.871 369 3HD1 LEU 49 HD13 LEU 49 43.574 2.236 0.851 370 1HD2 LEU 49 HD21 LEU 49 44.596 0.971 3.537 371 2HD2 LEU 49 HD22 LEU 49 42.943 1.554 3.352 372 3HD2 LEU 49 HD23 LEU 49 43.965 2.194 4.637 373 H LYS 50 HN LYS 50 48.414 4.260 2.452 374 HA LYS 50 HA LYS 50 50.362 2.561 1.108 375 1HB LYS 50 HB1 LYS 50 50.818 5.426 1.910 376 2HB LYS 50 HB2 LYS 50 49.568 5.048 0.724 377 1HG LYS 50 HG1 LYS 50 51.418 5.350 -0.659 378 2HG LYS 50 HG2 LYS 50 51.486 3.609 -0.382 379 1HD LYS 50 HD1 LYS 50 53.619 3.983 0.300 380 2HD LYS 50 HD2 LYS 50 52.893 4.606 1.780 381 1HE LYS 50 HE1 LYS 50 53.915 6.583 1.295 382 2HE LYS 50 HE2 LYS 50 52.756 6.755 -0.037 383 1HZ LYS 50 HZ1 LYS 50 54.939 6.803 -0.969 384 2HZ LYS 50 HZ2 LYS 50 54.277 5.286 -1.349 385 3HZ LYS 50 HZ3 LYS 50 55.419 5.429 -0.099 386 H ASP 51 HN ASP 51 50.329 4.457 4.130 387 HA ASP 51 HA ASP 51 53.012 4.019 4.952 388 1HB ASP 51 HB1 ASP 51 50.711 4.070 6.887 389 2HB ASP 51 HB2 ASP 51 51.016 5.477 5.868 390 H ARG 52 HN ARG 52 50.075 2.089 5.649 391 HA ARG 52 HA ARG 52 51.357 0.116 7.286 392 1HB ARG 52 HB1 ARG 52 49.174 -0.973 5.732 393 2HB ARG 52 HB2 ARG 52 48.789 0.686 6.185 394 1HG ARG 52 HG1 ARG 52 48.022 -0.838 7.935 395 2HG ARG 52 HG2 ARG 52 49.359 0.134 8.550 396 1HD ARG 52 HD1 ARG 52 50.732 -1.699 8.765 397 2HD ARG 52 HD2 ARG 52 50.162 -2.417 7.247 398 HE ARG 52 HE ARG 52 48.545 -3.588 8.519 399 1HH1 ARG 52 HH11 ARG 52 50.417 -1.907 10.704 400 2HH1 ARG 52 HH12 ARG 52 49.197 -1.764 11.924 401 1HH2 ARG 52 HH21 ARG 52 46.647 -2.949 9.899 402 2HH2 ARG 52 HH22 ARG 52 47.067 -2.352 11.471 403 H TYR 53 HN TYR 53 50.911 0.376 3.772 404 HA TYR 53 HA TYR 53 51.731 -2.230 2.996 405 1HB TYR 53 HB1 TYR 53 52.459 0.292 1.504 406 2HB TYR 53 HB2 TYR 53 50.776 -0.214 1.661 407 HD1 TYR 53 HD1 TYR 53 50.475 -2.887 1.257 408 HD2 TYR 53 HD2 TYR 53 53.561 -0.416 -0.417 409 HE1 TYR 53 HE1 TYR 53 50.801 -4.534 -0.567 410 HE2 TYR 53 HE2 TYR 53 53.887 -2.060 -2.243 411 HH TYR 53 HH TYR 53 53.492 -4.406 -2.691 412 H LEU 54 HN LEU 54 53.618 0.619 3.905 413 HA LEU 54 HA LEU 54 56.188 -0.713 3.279 414 1HB LEU 54 HB1 LEU 54 57.069 1.507 4.028 415 2HB LEU 54 HB2 LEU 54 55.421 1.985 4.438 416 HG LEU 54 HG LEU 54 54.770 1.523 2.055 417 1HD1 LEU 54 HD11 LEU 54 56.104 3.521 1.132 418 2HD1 LEU 54 HD12 LEU 54 56.899 3.566 2.706 419 3HD1 LEU 54 HD13 LEU 54 55.155 3.806 2.590 420 1HD2 LEU 54 HD21 LEU 54 56.420 0.008 1.286 421 2HD2 LEU 54 HD22 LEU 54 57.740 1.008 1.890 422 3HD2 LEU 54 HD23 LEU 54 56.825 1.519 0.472 423 H LYS 55 HN LYS 55 54.109 -0.042 6.021 424 HA LYS 55 HA LYS 55 55.934 -0.197 8.185 425 1HB LYS 55 HB1 LYS 55 53.772 -1.232 9.287 426 2HB LYS 55 HB2 LYS 55 53.037 -0.863 7.727 427 1HG LYS 55 HG1 LYS 55 52.658 1.084 9.018 428 2HG LYS 55 HG2 LYS 55 54.060 1.495 8.029 429 1HD LYS 55 HD1 LYS 55 55.345 0.422 10.127 430 2HD LYS 55 HD2 LYS 55 53.886 0.959 10.960 431 1HE LYS 55 HE1 LYS 55 54.230 3.243 9.948 432 2HE LYS 55 HE2 LYS 55 55.783 2.668 9.311 433 1HZ LYS 55 HZ1 LYS 55 56.510 2.153 11.508 434 2HZ LYS 55 HZ2 LYS 55 54.972 2.449 12.165 435 3HZ LYS 55 HZ3 LYS 55 55.903 3.735 11.561 436 H HIS 56 HN HIS 56 54.169 -2.837 6.523 437 HA HIS 56 HA HIS 56 56.319 -4.723 6.938 438 1HB HIS 56 HB1 HIS 56 55.597 -4.647 9.237 439 2HB HIS 56 HB2 HIS 56 55.039 -6.168 8.561 440 HD1 HIS 56 HD1 HIS 56 53.448 -5.629 10.848 441 HD2 HIS 56 HD2 HIS 56 52.565 -3.692 7.267 442 HE1 HIS 56 HE1 HIS 56 51.035 -4.887 11.013 443 H LEU 57 HN LEU 57 55.044 -4.153 4.602 444 HA LEU 57 HA LEU 57 53.544 -6.684 4.043 445 1HB LEU 57 HB1 LEU 57 51.992 -5.314 2.628 446 2HB LEU 57 HB2 LEU 57 52.793 -3.862 3.220 447 HG LEU 57 HG LEU 57 52.194 -4.539 5.542 448 1HD1 LEU 57 HD11 LEU 57 49.640 -4.231 5.155 449 2HD1 LEU 57 HD12 LEU 57 50.077 -4.085 3.453 450 3HD1 LEU 57 HD13 LEU 57 50.728 -2.946 4.631 451 1HD2 LEU 57 HD21 LEU 57 50.664 -6.706 4.070 452 2HD2 LEU 57 HD22 LEU 57 50.416 -6.301 5.770 453 3HD2 LEU 57 HD23 LEU 57 51.968 -6.944 5.234 454 H ARG 58 HN ARG 58 54.974 -3.764 2.552 455 HA ARG 58 HA ARG 58 55.434 -4.829 -0.045 456 1HB ARG 58 HB1 ARG 58 57.355 -2.903 1.202 457 2HB ARG 58 HB2 ARG 58 55.658 -2.434 1.116 458 1HG ARG 58 HG1 ARG 58 56.103 -1.763 -1.000 459 2HG ARG 58 HG2 ARG 58 56.154 -3.475 -1.415 460 1HD ARG 58 HD1 ARG 58 58.695 -2.749 -0.264 461 2HD ARG 58 HD2 ARG 58 58.295 -1.589 -1.546 462 HE ARG 58 HE ARG 58 57.847 -4.460 -2.145 463 1HH1 ARG 58 HH11 ARG 58 57.922 -3.222 -4.564 464 2HH1 ARG 58 HH12 ARG 58 59.584 -3.069 -5.027 465 1HH2 ARG 58 HH21 ARG 58 60.800 -3.571 -1.820 466 2HH2 ARG 58 HH22 ARG 58 61.213 -3.267 -3.474 467 H GLY 59 HN GLY 59 56.346 -6.943 0.062 468 1HA GLY 59 HA1 GLY 59 59.252 -7.009 0.442 469 2HA GLY 59 HA2 GLY 59 58.254 -8.333 -0.160 Start of MODEL 17 1 1H GLY 1 HT1 GLY 1 45.591 9.775 16.537 2 2H GLY 1 HT2 GLY 1 46.742 9.999 17.767 3 3H GLY 1 HT3 GLY 1 46.150 8.443 17.425 4 1HA GLY 1 HA1 GLY 1 48.211 8.432 16.402 5 2HA GLY 1 HA2 GLY 1 48.023 10.101 15.862 6 H ARG 2 HN ARG 2 46.619 6.849 15.448 7 HA ARG 2 HA ARG 2 45.594 7.653 12.761 8 1HB ARG 2 HB1 ARG 2 46.709 5.312 12.124 9 2HB ARG 2 HB2 ARG 2 47.763 5.716 13.479 10 1HG ARG 2 HG1 ARG 2 47.249 7.922 11.563 11 2HG ARG 2 HG2 ARG 2 48.186 6.571 10.927 12 1HD ARG 2 HD1 ARG 2 49.982 7.006 12.309 13 2HD ARG 2 HD2 ARG 2 48.949 7.573 13.637 14 HE ARG 2 HE ARG 2 48.883 9.737 12.594 15 1HH1 ARG 2 HH11 ARG 2 51.744 8.733 11.885 16 2HH1 ARG 2 HH12 ARG 2 51.841 9.246 10.234 17 1HH2 ARG 2 HH21 ARG 2 48.432 9.809 9.933 18 2HH2 ARG 2 HH22 ARG 2 49.965 9.854 9.128 19 H ILE 3 HN ILE 3 44.412 5.595 11.805 20 HA ILE 3 HA ILE 3 42.606 4.568 13.938 21 HB ILE 3 HB ILE 3 42.463 4.574 10.902 22 1HG1 ILE 3 HG11 ILE 3 42.372 6.820 12.023 23 2HG1 ILE 3 HG12 ILE 3 40.978 6.257 12.946 24 1HG2 ILE 3 HG21 ILE 3 40.016 4.089 11.351 25 2HG2 ILE 3 HG22 ILE 3 40.459 3.763 13.027 26 3HG2 ILE 3 HG23 ILE 3 41.110 2.759 11.732 27 1HD1 ILE 3 HD11 ILE 3 39.819 7.159 11.188 28 2HD1 ILE 3 HD12 ILE 3 40.175 5.603 10.441 29 3HD1 ILE 3 HD13 ILE 3 41.180 7.006 10.078 30 H ALA 4 HN ALA 4 41.887 2.239 13.655 31 HA ALA 4 HA ALA 4 44.258 0.502 13.337 32 1HB ALA 4 HB1 ALA 4 43.020 -0.984 14.655 33 2HB ALA 4 HB2 ALA 4 41.477 -0.409 14.025 34 3HB ALA 4 HB3 ALA 4 42.376 0.570 15.184 35 H PHE 5 HN PHE 5 43.477 -1.810 12.378 36 HA PHE 5 HA PHE 5 41.952 -1.357 9.845 37 1HB PHE 5 HB1 PHE 5 43.909 -2.921 8.934 38 2HB PHE 5 HB2 PHE 5 44.787 -2.217 10.292 39 HD1 PHE 5 HD1 PHE 5 45.374 0.134 10.331 40 HD2 PHE 5 HD2 PHE 5 43.037 -1.496 7.118 41 HE1 PHE 5 HE1 PHE 5 45.725 2.211 9.021 42 HE2 PHE 5 HE2 PHE 5 43.388 0.579 5.808 43 HZ PHE 5 HZ PHE 5 44.732 2.433 6.760 44 H THR 6 HN THR 6 40.365 -2.881 9.773 45 HA THR 6 HA THR 6 40.421 -5.252 11.487 46 HB THR 6 HB THR 6 38.229 -5.622 10.128 47 HG1 THR 6 HG1 THR 6 38.954 -4.219 8.418 48 1HG2 THR 6 HG21 THR 6 38.868 -3.327 11.956 49 2HG2 THR 6 HG22 THR 6 37.929 -4.784 12.286 50 3HG2 THR 6 HG23 THR 6 37.241 -3.494 11.298 51 H ASP 7 HN ASP 7 39.560 -7.360 10.180 52 HA ASP 7 HA ASP 7 41.783 -8.204 8.504 53 1HB ASP 7 HB1 ASP 7 40.408 -10.306 8.410 54 2HB ASP 7 HB2 ASP 7 39.112 -9.445 9.242 55 H ALA 8 HN ALA 8 38.478 -7.109 7.914 56 HA ALA 8 HA ALA 8 38.207 -7.991 5.197 57 1HB ALA 8 HB1 ALA 8 37.055 -5.529 6.549 58 2HB ALA 8 HB2 ALA 8 36.414 -7.159 6.752 59 3HB ALA 8 HB3 ALA 8 36.370 -6.387 5.168 60 H ASP 9 HN ASP 9 39.355 -4.895 6.568 61 HA ASP 9 HA ASP 9 39.854 -3.556 4.088 62 1HB ASP 9 HB1 ASP 9 41.393 -2.186 5.581 63 2HB ASP 9 HB2 ASP 9 41.057 -3.347 6.865 64 H ASP 10 HN ASP 10 41.903 -5.683 6.076 65 HA ASP 10 HA ASP 10 44.373 -5.327 4.698 66 1HB ASP 10 HB1 ASP 10 44.877 -7.567 5.691 67 2HB ASP 10 HB2 ASP 10 43.168 -7.741 6.090 68 H VAL 11 HN VAL 11 41.605 -7.449 4.000 69 HA VAL 11 HA VAL 11 42.932 -8.866 1.822 70 HB VAL 11 HB VAL 11 40.013 -8.549 2.609 71 1HG1 VAL 11 HG11 VAL 11 39.732 -10.696 1.361 72 2HG1 VAL 11 HG12 VAL 11 41.405 -10.565 0.816 73 3HG1 VAL 11 HG13 VAL 11 40.217 -9.363 0.313 74 1HG2 VAL 11 HG21 VAL 11 41.371 -9.500 4.410 75 2HG2 VAL 11 HG22 VAL 11 42.092 -10.655 3.289 76 3HG2 VAL 11 HG23 VAL 11 40.379 -10.768 3.691 77 H ALA 12 HN ALA 12 40.628 -6.154 2.051 78 HA ALA 12 HA ALA 12 40.184 -5.814 -0.767 79 1HB ALA 12 HB1 ALA 12 40.184 -3.413 0.966 80 2HB ALA 12 HB2 ALA 12 39.233 -4.765 1.583 81 3HB ALA 12 HB3 ALA 12 38.880 -4.094 -0.009 82 H ILE 13 HN ILE 13 42.483 -4.249 1.478 83 HA ILE 13 HA ILE 13 43.745 -2.536 -0.442 84 HB ILE 13 HB ILE 13 44.773 -3.834 2.110 85 1HG1 ILE 13 HG11 ILE 13 42.613 -2.335 2.042 86 2HG1 ILE 13 HG12 ILE 13 43.762 -1.014 1.840 87 1HG2 ILE 13 HG21 ILE 13 46.039 -1.439 1.955 88 2HG2 ILE 13 HG22 ILE 13 45.917 -1.827 0.241 89 3HG2 ILE 13 HG23 ILE 13 46.737 -2.936 1.338 90 1HD1 ILE 13 HD11 ILE 13 44.767 -1.413 3.933 91 2HD1 ILE 13 HD12 ILE 13 44.128 -3.054 4.029 92 3HD1 ILE 13 HD13 ILE 13 43.053 -1.675 4.255 93 H LEU 14 HN LEU 14 44.621 -5.801 0.732 94 HA LEU 14 HA LEU 14 46.994 -6.162 -0.803 95 1HB LEU 14 HB1 LEU 14 44.867 -8.097 0.175 96 2HB LEU 14 HB2 LEU 14 46.312 -7.595 1.050 97 HG LEU 14 HG LEU 14 46.320 -9.097 -1.583 98 1HD1 LEU 14 HD11 LEU 14 48.334 -7.826 -1.408 99 2HD1 LEU 14 HD12 LEU 14 48.759 -9.447 -0.860 100 3HD1 LEU 14 HD13 LEU 14 48.483 -8.163 0.317 101 1HD2 LEU 14 HD21 LEU 14 45.656 -10.760 -0.115 102 2HD2 LEU 14 HD22 LEU 14 46.376 -9.959 1.282 103 3HD2 LEU 14 HD23 LEU 14 47.400 -10.831 0.140 104 H THR 15 HN THR 15 43.740 -7.487 -1.542 105 HA THR 15 HA THR 15 44.209 -8.418 -4.151 106 HB THR 15 HB THR 15 41.727 -7.052 -3.059 107 HG1 THR 15 HG1 THR 15 41.214 -9.196 -2.413 108 1HG2 THR 15 HG21 THR 15 41.846 -9.328 -5.030 109 2HG2 THR 15 HG22 THR 15 41.910 -7.650 -5.569 110 3HG2 THR 15 HG23 THR 15 40.501 -8.240 -4.687 111 H TYR 16 HN TYR 16 43.051 -5.148 -3.228 112 HA TYR 16 HA TYR 16 42.885 -4.052 -5.856 113 1HB TYR 16 HB1 TYR 16 43.569 -2.730 -3.207 114 2HB TYR 16 HB2 TYR 16 41.938 -3.080 -3.780 115 HD1 TYR 16 HD1 TYR 16 45.008 -1.095 -4.456 116 HD2 TYR 16 HD2 TYR 16 40.856 -1.681 -5.395 117 HE1 TYR 16 HE1 TYR 16 44.984 1.054 -5.695 118 HE2 TYR 16 HE2 TYR 16 40.834 0.468 -6.635 119 HH TYR 16 HH TYR 16 43.544 2.036 -7.641 120 H VAL 17 HN VAL 17 45.563 -3.861 -3.481 121 HA VAL 17 HA VAL 17 47.397 -2.429 -5.155 122 HB VAL 17 HB VAL 17 47.811 -4.401 -2.877 123 1HG1 VAL 17 HG11 VAL 17 50.006 -3.452 -2.607 124 2HG1 VAL 17 HG12 VAL 17 49.698 -2.240 -3.848 125 3HG1 VAL 17 HG13 VAL 17 49.858 -3.939 -4.294 126 1HG2 VAL 17 HG21 VAL 17 47.553 -2.608 -1.423 127 2HG2 VAL 17 HG22 VAL 17 46.411 -2.156 -2.689 128 3HG2 VAL 17 HG23 VAL 17 48.014 -1.419 -2.643 129 H LYS 18 HN LYS 18 46.783 -5.902 -4.725 130 HA LYS 18 HA LYS 18 48.986 -6.881 -6.288 131 1HB LYS 18 HB1 LYS 18 46.416 -8.369 -6.274 132 2HB LYS 18 HB2 LYS 18 47.048 -7.926 -4.690 133 1HG LYS 18 HG1 LYS 18 49.285 -8.897 -5.474 134 2HG LYS 18 HG2 LYS 18 48.393 -9.583 -6.834 135 1HD LYS 18 HD1 LYS 18 47.176 -11.031 -5.473 136 2HD LYS 18 HD2 LYS 18 47.354 -10.005 -4.049 137 1HE LYS 18 HE1 LYS 18 49.731 -10.628 -3.876 138 2HE LYS 18 HE2 LYS 18 49.589 -11.616 -5.345 139 1HZ LYS 18 HZ1 LYS 18 47.956 -12.976 -4.287 140 2HZ LYS 18 HZ2 LYS 18 47.871 -11.948 -2.937 141 3HZ LYS 18 HZ3 LYS 18 49.271 -12.870 -3.220 142 H GLU 19 HN GLU 19 45.940 -5.435 -7.209 143 HA GLU 19 HA GLU 19 46.027 -6.533 -9.951 144 1HB GLU 19 HB1 GLU 19 44.010 -4.740 -9.930 145 2HB GLU 19 HB2 GLU 19 44.178 -5.001 -8.193 146 1HG GLU 19 HG1 GLU 19 44.235 -7.546 -8.894 147 2HG GLU 19 HG2 GLU 19 43.425 -6.955 -10.346 148 H ASN 20 HN ASN 20 46.173 -3.281 -8.420 149 HA ASN 20 HA ASN 20 47.020 -2.071 -10.982 150 1HB ASN 20 HB1 ASN 20 46.785 0.009 -9.763 151 2HB ASN 20 HB2 ASN 20 46.760 -0.843 -8.222 152 1HD2 ASN 20 HD21 ASN 20 44.612 0.397 -8.047 153 2HD2 ASN 20 HD22 ASN 20 43.229 -0.339 -8.696 154 H ALA 21 HN ALA 21 48.355 -1.990 -7.643 155 HA ALA 21 HA ALA 21 50.883 -0.939 -8.134 156 1HB ALA 21 HB1 ALA 21 49.543 -2.040 -6.033 157 2HB ALA 21 HB2 ALA 21 51.245 -1.581 -5.972 158 3HB ALA 21 HB3 ALA 21 50.794 -3.255 -6.291 159 H ARG 22 HN ARG 22 51.907 -1.631 -10.059 160 HA ARG 22 HA ARG 22 53.194 -4.300 -9.938 161 1HB ARG 22 HB1 ARG 22 51.035 -4.639 -11.082 162 2HB ARG 22 HB2 ARG 22 52.366 -4.839 -12.220 163 1HG ARG 22 HG1 ARG 22 51.833 -2.930 -13.384 164 2HG ARG 22 HG2 ARG 22 51.244 -2.091 -11.949 165 1HD ARG 22 HD1 ARG 22 49.306 -2.548 -13.314 166 2HD ARG 22 HD2 ARG 22 49.262 -3.735 -11.995 167 HE ARG 22 HE ARG 22 49.821 -5.423 -13.584 168 1HH1 ARG 22 HH11 ARG 22 48.358 -3.633 -15.556 169 2HH1 ARG 22 HH12 ARG 22 49.502 -3.548 -16.853 170 1HH2 ARG 22 HH21 ARG 22 52.149 -4.723 -14.946 171 2HH2 ARG 22 HH22 ARG 22 51.649 -4.166 -16.508 172 H SER 23 HN SER 23 53.931 -1.318 -9.936 173 HA SER 23 HA SER 23 56.269 -1.539 -11.665 174 1HB SER 23 HB1 SER 23 54.195 -0.995 -13.121 175 2HB SER 23 HB2 SER 23 55.613 0.025 -13.331 176 HG SER 23 HG SER 23 53.222 0.587 -11.966 177 HA PRO 24 HA PRO 24 57.616 1.575 -8.849 178 1HB PRO 24 HB1 PRO 24 59.732 1.415 -9.766 179 2HB PRO 24 HB2 PRO 24 59.379 3.064 -10.316 180 1HG PRO 24 HG1 PRO 24 60.007 1.054 -11.999 181 2HG PRO 24 HG2 PRO 24 58.930 2.382 -12.449 182 1HD PRO 24 HD1 PRO 24 58.306 -0.448 -11.911 183 2HD PRO 24 HD2 PRO 24 57.394 0.759 -12.842 184 H SER 25 HN SER 25 55.207 2.408 -9.272 185 HA SER 25 HA SER 25 55.335 5.310 -9.507 186 1HB SER 25 HB1 SER 25 54.186 3.588 -11.714 187 2HB SER 25 HB2 SER 25 55.401 4.855 -11.852 188 HG SER 25 HG SER 25 52.792 5.109 -12.080 189 H SER 26 HN SER 26 53.242 2.417 -9.562 190 HA SER 26 HA SER 26 50.776 3.556 -8.792 191 1HB SER 26 HB1 SER 26 50.937 1.261 -9.440 192 2HB SER 26 HB2 SER 26 50.463 1.237 -7.744 193 HG SER 26 HG SER 26 52.698 0.273 -8.887 194 H VAL 27 HN VAL 27 53.056 1.953 -6.531 195 HA VAL 27 HA VAL 27 51.858 3.455 -4.273 196 HB VAL 27 HB VAL 27 53.171 1.855 -2.928 197 1HG1 VAL 27 HG11 VAL 27 51.811 0.511 -5.283 198 2HG1 VAL 27 HG12 VAL 27 50.985 1.156 -3.865 199 3HG1 VAL 27 HG13 VAL 27 52.092 -0.205 -3.696 200 1HG2 VAL 27 HG21 VAL 27 55.139 1.145 -3.799 201 2HG2 VAL 27 HG22 VAL 27 54.673 1.631 -5.428 202 3HG2 VAL 27 HG23 VAL 27 54.202 0.048 -4.813 203 H THR 28 HN THR 28 53.825 4.609 -6.413 204 HA THR 28 HA THR 28 55.952 5.565 -4.534 205 HB THR 28 HB THR 28 55.851 5.632 -7.567 206 HG1 THR 28 HG1 THR 28 57.073 3.752 -5.828 207 1HG2 THR 28 HG21 THR 28 57.571 7.062 -7.077 208 2HG2 THR 28 HG22 THR 28 58.461 5.550 -6.901 209 3HG2 THR 28 HG23 THR 28 57.828 6.372 -5.475 210 H GLY 29 HN GLY 29 53.468 6.557 -6.857 211 1HA GLY 29 HA1 GLY 29 53.040 8.849 -7.577 212 2HA GLY 29 HA2 GLY 29 53.991 9.418 -6.205 213 H ASN 30 HN ASN 30 52.486 7.259 -4.544 214 HA ASN 30 HA ASN 30 50.553 7.161 -3.199 215 1HB ASN 30 HB1 ASN 30 49.864 9.411 -2.410 216 2HB ASN 30 HB2 ASN 30 50.793 10.136 -3.722 217 1HD2 ASN 30 HD21 ASN 30 51.549 10.872 -1.169 218 2HD2 ASN 30 HD22 ASN 30 53.003 10.115 -0.728 219 H ALA 31 HN ALA 31 50.201 7.119 -6.235 220 HA ALA 31 HA ALA 31 47.569 8.414 -6.620 221 1HB ALA 31 HB1 ALA 31 48.834 8.585 -8.545 222 2HB ALA 31 HB2 ALA 31 48.035 7.051 -8.890 223 3HB ALA 31 HB3 ALA 31 49.677 7.066 -8.247 224 H LEU 32 HN LEU 32 48.941 5.133 -6.412 225 HA LEU 32 HA LEU 32 46.472 3.731 -6.964 226 1HB LEU 32 HB1 LEU 32 48.516 2.453 -5.234 227 2HB LEU 32 HB2 LEU 32 49.139 3.128 -6.739 228 HG LEU 32 HG LEU 32 46.622 1.549 -6.909 229 1HD1 LEU 32 HD11 LEU 32 48.396 0.705 -8.845 230 2HD1 LEU 32 HD12 LEU 32 48.898 2.376 -8.589 231 3HD1 LEU 32 HD13 LEU 32 47.233 2.015 -9.046 232 1HD2 LEU 32 HD21 LEU 32 48.607 0.447 -5.397 233 2HD2 LEU 32 HD22 LEU 32 49.110 -0.061 -7.008 234 3HD2 LEU 32 HD23 LEU 32 47.512 -0.495 -6.405 235 H TRP 33 HN TRP 33 47.984 4.990 -4.032 236 HA TRP 33 HA TRP 33 46.192 3.664 -2.165 237 1HB TRP 33 HB1 TRP 33 47.291 5.198 -0.558 238 2HB TRP 33 HB2 TRP 33 47.980 6.108 -1.904 239 HD1 TRP 33 HD1 TRP 33 50.387 5.438 -2.343 240 HE1 TRP 33 HE1 TRP 33 51.765 3.269 -2.236 241 HE3 TRP 33 HE3 TRP 33 46.801 2.203 -0.698 242 HZ2 TRP 33 HZ2 TRP 33 51.397 0.527 -1.552 243 HZ3 TRP 33 HZ3 TRP 33 47.346 -0.184 -0.323 244 HH2 TRP 33 HH2 TRP 33 49.642 -1.026 -0.750 245 H LYS 34 HN LYS 34 46.443 7.132 -3.190 246 HA LYS 34 HA LYS 34 44.111 8.117 -1.952 247 1HB LYS 34 HB1 LYS 34 44.234 9.418 -4.387 248 2HB LYS 34 HB2 LYS 34 45.860 8.752 -4.235 249 1HG LYS 34 HG1 LYS 34 44.732 10.025 -1.803 250 2HG LYS 34 HG2 LYS 34 45.116 11.088 -3.147 251 1HD LYS 34 HD1 LYS 34 47.159 9.054 -2.439 252 2HD LYS 34 HD2 LYS 34 46.944 10.394 -1.314 253 1HE LYS 34 HE1 LYS 34 47.264 10.866 -4.287 254 2HE LYS 34 HE2 LYS 34 48.659 10.768 -3.197 255 1HZ LYS 34 HZ1 LYS 34 47.997 13.028 -3.229 256 2HZ LYS 34 HZ2 LYS 34 47.413 12.409 -1.759 257 3HZ LYS 34 HZ3 LYS 34 46.355 12.640 -3.068 258 H ALA 35 HN ALA 35 44.445 6.423 -5.051 259 HA ALA 35 HA ALA 35 41.833 6.693 -6.093 260 1HB ALA 35 HB1 ALA 35 43.574 4.209 -6.158 261 2HB ALA 35 HB2 ALA 35 43.892 5.643 -7.134 262 3HB ALA 35 HB3 ALA 35 42.409 4.722 -7.378 263 H MET 36 HN MET 36 43.091 4.142 -3.901 264 HA MET 36 HA MET 36 40.747 2.600 -3.567 265 1HB MET 36 HB1 MET 36 41.830 2.362 -1.161 266 2HB MET 36 HB2 MET 36 43.128 3.312 -1.880 267 1HG MET 36 HG1 MET 36 42.646 1.431 -3.834 268 2HG MET 36 HG2 MET 36 42.344 0.506 -2.367 269 1HE MET 36 HE1 MET 36 44.153 -1.103 -2.173 270 2HE MET 36 HE2 MET 36 43.982 -0.191 -0.676 271 3HE MET 36 HE3 MET 36 45.589 -0.594 -1.275 272 H GLU 37 HN GLU 37 41.729 5.564 -1.841 273 HA GLU 37 HA GLU 37 39.564 5.639 0.036 274 1HB GLU 37 HB1 GLU 37 41.112 7.922 -1.237 275 2HB GLU 37 HB2 GLU 37 41.696 6.948 0.113 276 1HG GLU 37 HG1 GLU 37 39.821 7.676 1.496 277 2HG GLU 37 HG2 GLU 37 39.119 8.552 0.136 278 H LYS 38 HN LYS 38 39.921 7.111 -3.206 279 HA LYS 38 HA LYS 38 37.094 8.030 -3.117 280 1HB LYS 38 HB1 LYS 38 39.115 8.409 -5.329 281 2HB LYS 38 HB2 LYS 38 39.174 9.380 -3.858 282 1HG LYS 38 HG1 LYS 38 36.712 9.115 -5.607 283 2HG LYS 38 HG2 LYS 38 37.869 10.441 -5.738 284 1HD LYS 38 HD1 LYS 38 37.432 10.594 -3.112 285 2HD LYS 38 HD2 LYS 38 35.908 9.829 -3.565 286 1HE LYS 38 HE1 LYS 38 36.931 12.273 -5.029 287 2HE LYS 38 HE2 LYS 38 35.940 12.411 -3.563 288 1HZ LYS 38 HZ1 LYS 38 34.360 10.838 -4.645 289 2HZ LYS 38 HZ2 LYS 38 35.270 10.958 -6.075 290 3HZ LYS 38 HZ3 LYS 38 34.483 12.327 -5.449 291 H SER 39 HN SER 39 38.098 5.097 -3.548 292 HA SER 39 HA SER 39 36.543 4.630 -6.073 293 1HB SER 39 HB1 SER 39 39.042 3.277 -5.013 294 2HB SER 39 HB2 SER 39 38.915 4.276 -6.457 295 HG SER 39 HG SER 39 38.503 1.674 -6.246 296 H SER 40 HN SER 40 37.929 2.422 -3.621 297 HA SER 40 HA SER 40 35.228 1.716 -2.632 298 1HB SER 40 HB1 SER 40 37.024 -0.038 -4.320 299 2HB SER 40 HB2 SER 40 35.332 0.367 -4.598 300 HG SER 40 HG SER 40 36.037 -1.766 -3.522 301 H LEU 41 HN LEU 41 36.148 2.397 -0.574 302 HA LEU 41 HA LEU 41 37.730 0.272 0.747 303 1HB LEU 41 HB1 LEU 41 38.641 3.132 0.969 304 2HB LEU 41 HB2 LEU 41 39.158 2.150 -0.403 305 HG LEU 41 HG LEU 41 39.413 1.107 2.414 306 1HD1 LEU 41 HD11 LEU 41 41.437 0.019 1.196 307 2HD1 LEU 41 HD12 LEU 41 40.633 0.540 -0.284 308 3HD1 LEU 41 HD13 LEU 41 39.822 -0.576 0.815 309 1HD2 LEU 41 HD21 LEU 41 40.527 3.444 1.990 310 2HD2 LEU 41 HD22 LEU 41 41.676 2.522 1.020 311 3HD2 LEU 41 HD23 LEU 41 41.483 2.162 2.736 312 H THR 42 HN THR 42 37.313 0.206 2.982 313 HA THR 42 HA THR 42 34.904 1.309 4.002 314 HB THR 42 HB THR 42 36.239 0.751 6.248 315 HG1 THR 42 HG1 THR 42 38.251 0.657 5.200 316 1HG2 THR 42 HG21 THR 42 35.970 -1.766 4.872 317 2HG2 THR 42 HG22 THR 42 34.636 -0.703 4.422 318 3HG2 THR 42 HG23 THR 42 34.937 -1.073 6.120 319 H GLN 43 HN GLN 43 35.323 2.506 6.392 320 HA GLN 43 HA GLN 43 35.897 5.240 5.727 321 1HB GLN 43 HB1 GLN 43 36.062 4.548 8.569 322 2HB GLN 43 HB2 GLN 43 34.684 3.781 7.780 323 1HG GLN 43 HG1 GLN 43 35.326 6.731 7.519 324 2HG GLN 43 HG2 GLN 43 34.209 6.083 8.722 325 1HE2 GLN 43 HE21 GLN 43 32.272 4.880 7.839 326 2HE2 GLN 43 HE22 GLN 43 31.685 5.283 6.298 327 H HIS 44 HN HIS 44 38.068 5.212 4.853 328 HA HIS 44 HA HIS 44 40.154 5.405 6.940 329 1HB HIS 44 HB1 HIS 44 41.370 3.787 5.023 330 2HB HIS 44 HB2 HIS 44 39.740 3.123 5.139 331 HD1 HIS 44 HD1 HIS 44 42.804 3.823 7.219 332 HD2 HIS 44 HD2 HIS 44 39.156 1.839 7.579 333 HE1 HIS 44 HE1 HIS 44 42.908 2.534 9.388 334 H SER 45 HN SER 45 42.201 6.270 6.028 335 HA SER 45 HA SER 45 41.672 8.009 3.645 336 1HB SER 45 HB1 SER 45 42.244 9.405 5.418 337 2HB SER 45 HB2 SER 45 43.837 9.105 4.735 338 HG SER 45 HG SER 45 42.905 8.446 7.158 339 H TRP 46 HN TRP 46 43.889 8.522 2.471 340 HA TRP 46 HA TRP 46 44.944 5.955 1.531 341 1HB TRP 46 HB1 TRP 46 44.311 8.104 0.209 342 2HB TRP 46 HB2 TRP 46 45.785 7.265 -0.259 343 HD1 TRP 46 HD1 TRP 46 44.535 10.547 1.085 344 HE1 TRP 46 HE1 TRP 46 46.529 12.156 1.402 345 HE3 TRP 46 HE3 TRP 46 48.401 7.288 0.403 346 HZ2 TRP 46 HZ2 TRP 46 49.394 12.065 1.369 347 HZ3 TRP 46 HZ3 TRP 46 50.750 8.070 0.552 348 HH2 TRP 46 HH2 TRP 46 51.251 10.451 1.034 349 H GLN 47 HN GLN 47 46.094 8.674 3.487 350 HA GLN 47 HA GLN 47 48.869 8.208 3.588 351 1HB GLN 47 HB1 GLN 47 48.589 9.177 5.942 352 2HB GLN 47 HB2 GLN 47 46.849 9.116 5.654 353 1HG GLN 47 HG1 GLN 47 47.183 10.505 3.603 354 2HG GLN 47 HG2 GLN 47 48.898 10.622 3.994 355 1HE2 GLN 47 HE21 GLN 47 47.446 13.003 3.859 356 2HE2 GLN 47 HE22 GLN 47 47.220 13.638 5.417 357 H SER 48 HN SER 48 46.579 7.034 6.089 358 HA SER 48 HA SER 48 48.361 5.160 7.291 359 1HB SER 48 HB1 SER 48 45.392 4.708 7.114 360 2HB SER 48 HB2 SER 48 45.993 6.142 7.938 361 HG SER 48 HG SER 48 46.016 4.707 9.523 362 H LEU 49 HN LEU 49 46.486 4.995 4.348 363 HA LEU 49 HA LEU 49 46.459 2.098 4.069 364 1HB LEU 49 HB1 LEU 49 46.277 4.162 1.868 365 2HB LEU 49 HB2 LEU 49 44.964 3.942 3.023 366 HG LEU 49 HG LEU 49 46.148 1.741 1.309 367 1HD1 LEU 49 HD11 LEU 49 45.167 0.471 2.928 368 2HD1 LEU 49 HD12 LEU 49 43.653 0.941 2.158 369 3HD1 LEU 49 HD13 LEU 49 44.240 1.830 3.562 370 1HD2 LEU 49 HD21 LEU 49 43.825 3.605 0.955 371 2HD2 LEU 49 HD22 LEU 49 43.683 1.951 0.360 372 3HD2 LEU 49 HD23 LEU 49 44.964 3.000 -0.249 373 H LYS 50 HN LYS 50 48.396 4.720 2.597 374 HA LYS 50 HA LYS 50 50.147 2.956 1.110 375 1HB LYS 50 HB1 LYS 50 50.649 5.785 2.085 376 2HB LYS 50 HB2 LYS 50 49.618 5.407 0.706 377 1HG LYS 50 HG1 LYS 50 51.573 5.643 -0.460 378 2HG LYS 50 HG2 LYS 50 51.826 3.973 0.047 379 1HD LYS 50 HD1 LYS 50 53.382 4.560 1.654 380 2HD LYS 50 HD2 LYS 50 52.660 6.146 1.926 381 1HE LYS 50 HE1 LYS 50 53.782 5.712 -0.792 382 2HE LYS 50 HE2 LYS 50 54.967 5.796 0.528 383 1HZ LYS 50 HZ1 LYS 50 54.273 8.000 -0.426 384 2HZ LYS 50 HZ2 LYS 50 54.051 7.851 1.252 385 3HZ LYS 50 HZ3 LYS 50 52.722 7.720 0.201 386 H ASP 51 HN ASP 51 50.384 4.576 4.266 387 HA ASP 51 HA ASP 51 53.087 3.912 4.891 388 1HB ASP 51 HB1 ASP 51 50.961 3.958 6.998 389 2HB ASP 51 HB2 ASP 51 51.173 5.403 6.010 390 H ARG 52 HN ARG 52 50.053 2.154 5.584 391 HA ARG 52 HA ARG 52 51.164 0.014 7.093 392 1HB ARG 52 HB1 ARG 52 48.959 -0.809 5.382 393 2HB ARG 52 HB2 ARG 52 48.676 0.805 6.027 394 1HG ARG 52 HG1 ARG 52 47.786 -0.854 7.581 395 2HG ARG 52 HG2 ARG 52 49.180 -0.059 8.311 396 1HD ARG 52 HD1 ARG 52 50.306 -2.036 8.454 397 2HD ARG 52 HD2 ARG 52 49.987 -2.403 6.746 398 HE ARG 52 HE ARG 52 47.788 -3.306 7.445 399 1HH1 ARG 52 HH11 ARG 52 48.533 -5.393 8.799 400 2HH1 ARG 52 HH12 ARG 52 48.417 -5.085 10.499 401 1HH2 ARG 52 HH21 ARG 52 48.293 -1.640 10.138 402 2HH2 ARG 52 HH22 ARG 52 48.282 -2.962 11.256 403 H TYR 53 HN TYR 53 50.620 0.243 3.551 404 HA TYR 53 HA TYR 53 51.410 -2.366 2.836 405 1HB TYR 53 HB1 TYR 53 52.082 0.132 1.279 406 2HB TYR 53 HB2 TYR 53 50.432 -0.482 1.420 407 HD1 TYR 53 HD1 TYR 53 50.445 -3.245 1.169 408 HD2 TYR 53 HD2 TYR 53 53.147 -0.478 -0.700 409 HE1 TYR 53 HE1 TYR 53 50.924 -4.912 -0.598 410 HE2 TYR 53 HE2 TYR 53 53.625 -2.146 -2.471 411 HH TYR 53 HH TYR 53 52.517 -4.122 -3.484 412 H LEU 54 HN LEU 54 53.434 0.504 3.383 413 HA LEU 54 HA LEU 54 55.919 -0.951 2.772 414 1HB LEU 54 HB1 LEU 54 56.786 1.341 3.713 415 2HB LEU 54 HB2 LEU 54 55.087 1.807 3.634 416 HG LEU 54 HG LEU 54 55.143 0.935 1.213 417 1HD1 LEU 54 HD11 LEU 54 56.735 3.365 2.079 418 2HD1 LEU 54 HD12 LEU 54 55.024 3.308 1.654 419 3HD1 LEU 54 HD13 LEU 54 56.251 3.061 0.411 420 1HD2 LEU 54 HD21 LEU 54 58.035 0.833 2.006 421 2HD2 LEU 54 HD22 LEU 54 57.624 1.275 0.350 422 3HD2 LEU 54 HD23 LEU 54 57.116 -0.285 0.998 423 H LYS 55 HN LYS 55 53.980 -0.170 5.582 424 HA LYS 55 HA LYS 55 55.921 -0.321 7.651 425 1HB LYS 55 HB1 LYS 55 53.719 -1.312 8.833 426 2HB LYS 55 HB2 LYS 55 52.985 -0.737 7.336 427 1HG LYS 55 HG1 LYS 55 53.138 1.419 7.999 428 2HG LYS 55 HG2 LYS 55 54.841 1.238 8.412 429 1HD LYS 55 HD1 LYS 55 54.066 0.081 10.549 430 2HD LYS 55 HD2 LYS 55 52.436 0.623 10.146 431 1HE LYS 55 HE1 LYS 55 53.287 2.982 10.074 432 2HE LYS 55 HE2 LYS 55 54.872 2.387 10.609 433 1HZ LYS 55 HZ1 LYS 55 52.307 1.849 12.020 434 2HZ LYS 55 HZ2 LYS 55 53.378 3.092 12.457 435 3HZ LYS 55 HZ3 LYS 55 53.867 1.468 12.565 436 H HIS 56 HN HIS 56 53.931 -2.960 6.215 437 HA HIS 56 HA HIS 56 56.057 -4.897 6.651 438 1HB HIS 56 HB1 HIS 56 55.305 -4.599 8.948 439 2HB HIS 56 HB2 HIS 56 54.830 -6.193 8.381 440 HD1 HIS 56 HD1 HIS 56 53.140 -5.614 10.555 441 HD2 HIS 56 HD2 HIS 56 52.312 -3.865 6.863 442 HE1 HIS 56 HE1 HIS 56 50.706 -4.933 10.612 443 H LEU 57 HN LEU 57 54.434 -4.249 4.357 444 HA LEU 57 HA LEU 57 52.934 -6.833 4.035 445 1HB LEU 57 HB1 LEU 57 51.565 -5.451 2.368 446 2HB LEU 57 HB2 LEU 57 52.367 -4.038 3.048 447 HG LEU 57 HG LEU 57 51.601 -4.920 5.335 448 1HD1 LEU 57 HD11 LEU 57 50.512 -2.983 4.536 449 2HD1 LEU 57 HD12 LEU 57 49.188 -4.100 4.860 450 3HD1 LEU 57 HD13 LEU 57 49.749 -3.853 3.207 451 1HD2 LEU 57 HD21 LEU 57 51.005 -7.199 4.299 452 2HD2 LEU 57 HD22 LEU 57 49.571 -6.404 3.652 453 3HD2 LEU 57 HD23 LEU 57 49.813 -6.501 5.396 454 H ARG 58 HN ARG 58 54.473 -4.220 2.098 455 HA ARG 58 HA ARG 58 54.870 -5.651 -0.302 456 1HB ARG 58 HB1 ARG 58 56.831 -3.691 0.912 457 2HB ARG 58 HB2 ARG 58 55.265 -3.190 0.273 458 1HG ARG 58 HG1 ARG 58 55.852 -3.705 -1.920 459 2HG ARG 58 HG2 ARG 58 57.047 -4.904 -1.426 460 1HD ARG 58 HD1 ARG 58 58.491 -3.043 -0.564 461 2HD ARG 58 HD2 ARG 58 57.313 -1.883 -1.209 462 HE ARG 58 HE ARG 58 57.836 -2.712 -3.459 463 1HH1 ARG 58 HH11 ARG 58 60.489 -2.325 -1.758 464 2HH1 ARG 58 HH12 ARG 58 61.411 -3.647 -2.393 465 1HH2 ARG 58 HH21 ARG 58 58.689 -5.155 -3.924 466 2HH2 ARG 58 HH22 ARG 58 60.390 -5.250 -3.620 467 H GLY 59 HN GLY 59 56.905 -5.594 2.618 468 1HA GLY 59 HA1 GLY 59 58.991 -6.712 2.983 469 2HA GLY 59 HA2 GLY 59 58.854 -7.440 1.382 Start of MODEL 18 1 1H GLY 1 HT1 GLY 1 40.089 10.254 13.081 2 2H GLY 1 HT2 GLY 1 40.721 10.840 11.617 3 3H GLY 1 HT3 GLY 1 41.070 11.637 13.078 4 1HA GLY 1 HA1 GLY 1 42.127 9.450 13.810 5 2HA GLY 1 HA2 GLY 1 43.004 10.452 12.653 6 H ARG 2 HN ARG 2 42.665 7.392 13.174 7 HA ARG 2 HA ARG 2 41.704 6.506 10.506 8 1HB ARG 2 HB1 ARG 2 44.050 7.198 10.208 9 2HB ARG 2 HB2 ARG 2 43.908 5.449 10.052 10 1HG ARG 2 HG1 ARG 2 45.070 5.050 11.990 11 2HG ARG 2 HG2 ARG 2 44.438 6.487 12.789 12 1HD ARG 2 HD1 ARG 2 46.486 7.415 12.391 13 2HD ARG 2 HD2 ARG 2 45.987 7.514 10.691 14 HE ARG 2 HE ARG 2 46.916 5.127 10.505 15 1HH1 ARG 2 HH11 ARG 2 47.511 6.063 13.618 16 2HH1 ARG 2 HH12 ARG 2 49.232 5.878 13.558 17 1HH2 ARG 2 HH21 ARG 2 49.329 5.429 10.120 18 2HH2 ARG 2 HH22 ARG 2 50.262 5.518 11.577 19 H ILE 3 HN ILE 3 40.489 4.717 10.911 20 HA ILE 3 HA ILE 3 40.548 3.293 13.427 21 HB ILE 3 HB ILE 3 38.564 3.605 11.962 22 1HG1 ILE 3 HG11 ILE 3 38.743 1.688 13.586 23 2HG1 ILE 3 HG12 ILE 3 39.271 0.672 12.245 24 1HG2 ILE 3 HG21 ILE 3 38.385 2.734 9.826 25 2HG2 ILE 3 HG22 ILE 3 39.544 1.442 10.143 26 3HG2 ILE 3 HG23 ILE 3 40.111 3.087 9.865 27 1HD1 ILE 3 HD11 ILE 3 37.169 0.510 11.396 28 2HD1 ILE 3 HD12 ILE 3 36.822 2.215 11.683 29 3HD1 ILE 3 HD13 ILE 3 36.649 1.046 12.993 30 H ALA 4 HN ALA 4 40.862 0.837 13.471 31 HA ALA 4 HA ALA 4 43.526 0.174 12.481 32 1HB ALA 4 HB1 ALA 4 43.383 -1.454 14.093 33 2HB ALA 4 HB2 ALA 4 41.737 -1.897 13.638 34 3HB ALA 4 HB3 ALA 4 42.022 -0.476 14.644 35 H PHE 5 HN PHE 5 43.198 -2.580 11.941 36 HA PHE 5 HA PHE 5 41.482 -2.646 9.487 37 1HB PHE 5 HB1 PHE 5 43.454 -3.756 8.372 38 2HB PHE 5 HB2 PHE 5 44.408 -3.386 9.807 39 HD1 PHE 5 HD1 PHE 5 42.771 -2.023 6.824 40 HD2 PHE 5 HD2 PHE 5 44.940 -1.047 10.401 41 HE1 PHE 5 HE1 PHE 5 43.192 0.257 5.946 42 HE2 PHE 5 HE2 PHE 5 45.361 1.235 9.522 43 HZ PHE 5 HZ PHE 5 44.486 1.886 7.295 44 H THR 6 HN THR 6 40.286 -4.503 9.414 45 HA THR 6 HA THR 6 40.815 -6.652 11.387 46 HB THR 6 HB THR 6 38.548 -7.404 10.466 47 HG1 THR 6 HG1 THR 6 38.096 -6.489 8.639 48 1HG2 THR 6 HG21 THR 6 38.577 -6.153 12.503 49 2HG2 THR 6 HG22 THR 6 37.365 -5.383 11.476 50 3HG2 THR 6 HG23 THR 6 38.962 -4.656 11.655 51 H ASP 7 HN ASP 7 39.852 -8.877 10.105 52 HA ASP 7 HA ASP 7 42.069 -9.683 8.414 53 1HB ASP 7 HB1 ASP 7 40.397 -11.713 8.175 54 2HB ASP 7 HB2 ASP 7 39.491 -10.856 9.424 55 H ALA 8 HN ALA 8 38.634 -8.935 7.812 56 HA ALA 8 HA ALA 8 38.674 -9.560 4.991 57 1HB ALA 8 HB1 ALA 8 36.814 -7.502 6.064 58 2HB ALA 8 HB2 ALA 8 36.792 -9.066 6.879 59 3HB ALA 8 HB3 ALA 8 36.459 -8.968 5.150 60 H ASP 9 HN ASP 9 39.377 -6.637 6.858 61 HA ASP 9 HA ASP 9 39.419 -4.819 4.597 62 1HB ASP 9 HB1 ASP 9 40.853 -3.538 6.427 63 2HB ASP 9 HB2 ASP 9 40.290 -4.848 7.466 64 H ASP 10 HN ASP 10 41.777 -6.968 6.085 65 HA ASP 10 HA ASP 10 44.136 -5.800 4.864 66 1HB ASP 10 HB1 ASP 10 44.897 -8.294 5.426 67 2HB ASP 10 HB2 ASP 10 43.357 -8.323 6.287 68 H VAL 11 HN VAL 11 42.140 -8.670 4.065 69 HA VAL 11 HA VAL 11 43.570 -9.333 1.649 70 HB VAL 11 HB VAL 11 40.721 -9.920 2.536 71 1HG1 VAL 11 HG11 VAL 11 40.896 -11.861 1.030 72 2HG1 VAL 11 HG12 VAL 11 42.515 -11.352 0.549 73 3HG1 VAL 11 HG13 VAL 11 41.117 -10.361 0.130 74 1HG2 VAL 11 HG21 VAL 11 42.084 -12.191 3.013 75 2HG2 VAL 11 HG22 VAL 11 41.934 -10.916 4.222 76 3HG2 VAL 11 HG23 VAL 11 43.395 -11.034 3.242 77 H ALA 12 HN ALA 12 40.907 -7.148 2.383 78 HA ALA 12 HA ALA 12 40.064 -6.719 -0.366 79 1HB ALA 12 HB1 ALA 12 39.113 -4.588 0.910 80 2HB ALA 12 HB2 ALA 12 39.619 -5.495 2.335 81 3HB ALA 12 HB3 ALA 12 38.444 -6.190 1.219 82 H ILE 13 HN ILE 13 42.219 -4.992 1.888 83 HA ILE 13 HA ILE 13 42.848 -2.866 -0.022 84 HB ILE 13 HB ILE 13 44.052 -3.772 2.620 85 1HG1 ILE 13 HG11 ILE 13 41.656 -2.989 2.609 86 2HG1 ILE 13 HG12 ILE 13 42.220 -1.442 1.977 87 1HG2 ILE 13 HG21 ILE 13 45.775 -2.428 1.926 88 2HG2 ILE 13 HG22 ILE 13 44.680 -1.136 2.417 89 3HG2 ILE 13 HG23 ILE 13 44.784 -1.606 0.721 90 1HD1 ILE 13 HD11 ILE 13 43.172 -2.693 4.572 91 2HD1 ILE 13 HD12 ILE 13 41.946 -1.430 4.461 92 3HD1 ILE 13 HD13 ILE 13 43.602 -1.096 3.958 93 H LEU 14 HN LEU 14 44.265 -5.942 0.973 94 HA LEU 14 HA LEU 14 46.828 -5.603 -0.316 95 1HB LEU 14 HB1 LEU 14 45.153 -7.956 0.610 96 2HB LEU 14 HB2 LEU 14 46.540 -7.236 1.420 97 HG LEU 14 HG LEU 14 46.628 -8.730 -1.219 98 1HD1 LEU 14 HD11 LEU 14 48.698 -7.289 0.439 99 2HD1 LEU 14 HD12 LEU 14 48.401 -7.173 -1.295 100 3HD1 LEU 14 HD13 LEU 14 49.161 -8.617 -0.627 101 1HD2 LEU 14 HD21 LEU 14 48.097 -10.262 0.317 102 2HD2 LEU 14 HD22 LEU 14 46.341 -10.392 0.412 103 3HD2 LEU 14 HD23 LEU 14 47.225 -9.480 1.636 104 H THR 15 HN THR 15 43.883 -7.386 -1.303 105 HA THR 15 HA THR 15 44.677 -8.240 -3.868 106 HB THR 15 HB THR 15 41.966 -7.246 -2.918 107 HG1 THR 15 HG1 THR 15 41.716 -9.504 -2.441 108 1HG2 THR 15 HG21 THR 15 42.815 -9.052 -5.192 109 2HG2 THR 15 HG22 THR 15 41.879 -7.560 -5.291 110 3HG2 THR 15 HG23 THR 15 41.165 -9.003 -4.572 111 H TYR 16 HN TYR 16 42.960 -5.199 -3.049 112 HA TYR 16 HA TYR 16 42.866 -4.077 -5.659 113 1HB TYR 16 HB1 TYR 16 43.143 -2.750 -2.940 114 2HB TYR 16 HB2 TYR 16 41.628 -3.277 -3.673 115 HD1 TYR 16 HD1 TYR 16 40.550 -1.980 -5.391 116 HD2 TYR 16 HD2 TYR 16 44.457 -0.897 -3.968 117 HE1 TYR 16 HE1 TYR 16 40.387 0.187 -6.586 118 HE2 TYR 16 HE2 TYR 16 44.292 1.270 -5.163 119 HH TYR 16 HH TYR 16 41.769 2.690 -6.051 120 H VAL 17 HN VAL 17 45.300 -3.571 -3.087 121 HA VAL 17 HA VAL 17 47.028 -1.851 -4.591 122 HB VAL 17 HB VAL 17 47.554 -3.765 -2.290 123 1HG1 VAL 17 HG11 VAL 17 49.317 -1.791 -1.891 124 2HG1 VAL 17 HG12 VAL 17 49.228 -1.699 -3.650 125 3HG1 VAL 17 HG13 VAL 17 49.714 -3.204 -2.867 126 1HG2 VAL 17 HG21 VAL 17 46.918 -2.036 -0.849 127 2HG2 VAL 17 HG22 VAL 17 45.768 -1.837 -2.171 128 3HG2 VAL 17 HG23 VAL 17 47.183 -0.788 -2.068 129 H LYS 18 HN LYS 18 47.012 -5.400 -4.174 130 HA LYS 18 HA LYS 18 49.437 -5.766 -5.775 131 1HB LYS 18 HB1 LYS 18 47.354 -7.751 -4.825 132 2HB LYS 18 HB2 LYS 18 48.706 -7.181 -3.845 133 1HG LYS 18 HG1 LYS 18 50.261 -8.010 -5.643 134 2HG LYS 18 HG2 LYS 18 48.863 -8.714 -6.458 135 1HD LYS 18 HD1 LYS 18 48.617 -10.375 -4.886 136 2HD LYS 18 HD2 LYS 18 49.206 -9.359 -3.568 137 1HE LYS 18 HE1 LYS 18 51.210 -9.995 -5.665 138 2HE LYS 18 HE2 LYS 18 50.686 -11.363 -4.665 139 1HZ LYS 18 HZ1 LYS 18 52.512 -10.107 -3.630 140 2HZ LYS 18 HZ2 LYS 18 51.095 -10.032 -2.695 141 3HZ LYS 18 HZ3 LYS 18 51.560 -8.703 -3.644 142 H GLU 19 HN GLU 19 46.221 -5.129 -6.662 143 HA GLU 19 HA GLU 19 46.363 -6.821 -9.115 144 1HB GLU 19 HB1 GLU 19 43.941 -5.682 -9.210 145 2HB GLU 19 HB2 GLU 19 44.261 -5.461 -7.489 146 1HG GLU 19 HG1 GLU 19 44.314 -7.749 -7.075 147 2HG GLU 19 HG2 GLU 19 44.801 -8.139 -8.725 148 H ASN 20 HN ASN 20 46.188 -3.419 -8.079 149 HA ASN 20 HA ASN 20 46.174 -2.500 -10.904 150 1HB ASN 20 HB1 ASN 20 45.773 -0.322 -9.927 151 2HB ASN 20 HB2 ASN 20 46.247 -0.896 -8.332 152 1HD2 ASN 20 HD21 ASN 20 44.295 -0.749 -7.174 153 2HD2 ASN 20 HD22 ASN 20 42.849 -1.505 -7.645 154 H ALA 21 HN ALA 21 48.217 -2.082 -7.971 155 HA ALA 21 HA ALA 21 50.291 -0.525 -9.028 156 1HB ALA 21 HB1 ALA 21 51.674 -1.656 -7.275 157 2HB ALA 21 HB2 ALA 21 50.394 -2.852 -7.084 158 3HB ALA 21 HB3 ALA 21 50.090 -1.164 -6.681 159 H ARG 22 HN ARG 22 50.809 -4.045 -8.595 160 HA ARG 22 HA ARG 22 52.078 -5.574 -9.877 161 1HB ARG 22 HB1 ARG 22 51.178 -3.928 -12.243 162 2HB ARG 22 HB2 ARG 22 50.014 -4.854 -11.295 163 1HG ARG 22 HG1 ARG 22 51.724 -6.822 -11.641 164 2HG ARG 22 HG2 ARG 22 52.294 -5.840 -12.992 165 1HD ARG 22 HD1 ARG 22 49.574 -5.734 -13.369 166 2HD ARG 22 HD2 ARG 22 49.778 -7.368 -12.709 167 HE ARG 22 HE ARG 22 51.512 -7.721 -14.503 168 1HH1 ARG 22 HH11 ARG 22 48.585 -6.659 -15.363 169 2HH1 ARG 22 HH12 ARG 22 49.050 -5.805 -16.795 170 1HH2 ARG 22 HH21 ARG 22 52.441 -5.942 -16.096 171 2HH2 ARG 22 HH22 ARG 22 51.233 -5.399 -17.211 172 H SER 23 HN SER 23 53.316 -2.872 -9.088 173 HA SER 23 HA SER 23 55.825 -3.204 -10.531 174 1HB SER 23 HB1 SER 23 54.134 -1.991 -12.077 175 2HB SER 23 HB2 SER 23 55.721 -1.256 -11.887 176 HG SER 23 HG SER 23 54.322 0.370 -11.530 177 HA PRO 24 HA PRO 24 57.096 -0.995 -6.912 178 1HB PRO 24 HB1 PRO 24 59.219 -1.834 -7.299 179 2HB PRO 24 HB2 PRO 24 59.579 -0.134 -7.659 180 1HG PRO 24 HG1 PRO 24 59.948 -2.172 -9.422 181 2HG PRO 24 HG2 PRO 24 59.623 -0.502 -9.902 182 1HD PRO 24 HD1 PRO 24 57.918 -2.863 -10.132 183 2HD PRO 24 HD2 PRO 24 57.755 -1.277 -10.910 184 H SER 25 HN SER 25 55.295 0.608 -8.115 185 HA SER 25 HA SER 25 56.529 3.311 -7.962 186 1HB SER 25 HB1 SER 25 54.795 2.327 -10.251 187 2HB SER 25 HB2 SER 25 56.542 2.524 -10.336 188 HG SER 25 HG SER 25 55.933 4.445 -10.999 189 H SER 26 HN SER 26 53.502 1.459 -8.449 190 HA SER 26 HA SER 26 51.747 3.563 -7.508 191 1HB SER 26 HB1 SER 26 50.259 1.391 -7.227 192 2HB SER 26 HB2 SER 26 51.603 0.617 -8.061 193 HG SER 26 HG SER 26 50.228 2.913 -8.986 194 H VAL 27 HN VAL 27 52.800 0.501 -5.974 195 HA VAL 27 HA VAL 27 51.685 1.024 -3.395 196 HB VAL 27 HB VAL 27 53.252 -0.789 -2.707 197 1HG1 VAL 27 HG11 VAL 27 51.138 -0.968 -4.427 198 2HG1 VAL 27 HG12 VAL 27 52.009 -2.363 -3.792 199 3HG1 VAL 27 HG13 VAL 27 52.410 -1.726 -5.387 200 1HG2 VAL 27 HG21 VAL 27 55.114 0.142 -4.245 201 2HG2 VAL 27 HG22 VAL 27 54.305 -0.741 -5.540 202 3HG2 VAL 27 HG23 VAL 27 54.949 -1.611 -4.147 203 H THR 28 HN THR 28 54.579 2.236 -4.931 204 HA THR 28 HA THR 28 55.751 3.140 -2.353 205 HB THR 28 HB THR 28 56.758 3.579 -5.172 206 HG1 THR 28 HG1 THR 28 57.189 1.541 -5.300 207 1HG2 THR 28 HG21 THR 28 58.860 3.857 -4.174 208 2HG2 THR 28 HG22 THR 28 58.379 3.009 -2.704 209 3HG2 THR 28 HG23 THR 28 57.780 4.637 -3.018 210 H GLY 29 HN GLY 29 54.460 4.480 -5.397 211 1HA GLY 29 HA1 GLY 29 53.925 6.700 -5.982 212 2HA GLY 29 HA2 GLY 29 54.851 7.245 -4.583 213 H ASN 30 HN ASN 30 52.164 8.102 -5.518 214 HA ASN 30 HA ASN 30 50.447 7.192 -3.239 215 1HB ASN 30 HB1 ASN 30 49.955 9.587 -2.800 216 2HB ASN 30 HB2 ASN 30 51.073 10.044 -4.085 217 1HD2 ASN 30 HD21 ASN 30 52.776 10.989 -2.886 218 2HD2 ASN 30 HD22 ASN 30 53.630 10.184 -1.659 219 H ALA 31 HN ALA 31 50.444 6.727 -6.225 220 HA ALA 31 HA ALA 31 48.105 8.267 -7.179 221 1HB ALA 31 HB1 ALA 31 48.598 6.791 -9.229 222 2HB ALA 31 HB2 ALA 31 49.998 6.208 -8.328 223 3HB ALA 31 HB3 ALA 31 49.868 7.916 -8.748 224 H LEU 32 HN LEU 32 48.934 4.787 -6.966 225 HA LEU 32 HA LEU 32 46.317 3.761 -7.367 226 1HB LEU 32 HB1 LEU 32 48.120 2.326 -5.489 227 2HB LEU 32 HB2 LEU 32 48.840 2.776 -7.035 228 HG LEU 32 HG LEU 32 46.113 1.620 -7.192 229 1HD1 LEU 32 HD11 LEU 32 48.239 0.374 -8.746 230 2HD1 LEU 32 HD12 LEU 32 48.274 2.128 -8.908 231 3HD1 LEU 32 HD13 LEU 32 46.808 1.236 -9.302 232 1HD2 LEU 32 HD21 LEU 32 46.566 -0.488 -6.417 233 2HD2 LEU 32 HD22 LEU 32 47.725 0.366 -5.400 234 3HD2 LEU 32 HD23 LEU 32 48.261 -0.409 -6.891 235 H TRP 33 HN TRP 33 47.802 5.148 -4.514 236 HA TRP 33 HA TRP 33 45.802 4.101 -2.642 237 1HB TRP 33 HB1 TRP 33 47.067 5.470 -1.040 238 2HB TRP 33 HB2 TRP 33 47.892 6.290 -2.366 239 HD1 TRP 33 HD1 TRP 33 50.030 5.213 -3.256 240 HE1 TRP 33 HE1 TRP 33 51.234 2.963 -2.900 241 HE3 TRP 33 HE3 TRP 33 46.524 2.769 -0.462 242 HZ2 TRP 33 HZ2 TRP 33 50.768 0.458 -1.609 243 HZ3 TRP 33 HZ3 TRP 33 46.930 0.453 0.319 244 HH2 TRP 33 HH2 TRP 33 49.048 -0.706 -0.247 245 H LYS 34 HN LYS 34 46.631 7.388 -3.848 246 HA LYS 34 HA LYS 34 44.459 8.781 -2.671 247 1HB LYS 34 HB1 LYS 34 44.881 10.301 -4.751 248 2HB LYS 34 HB2 LYS 34 46.158 9.145 -5.135 249 1HG LYS 34 HG1 LYS 34 47.377 10.578 -3.803 250 2HG LYS 34 HG2 LYS 34 46.724 9.537 -2.538 251 1HD LYS 34 HD1 LYS 34 45.118 11.112 -1.895 252 2HD LYS 34 HD2 LYS 34 45.152 11.928 -3.459 253 1HE LYS 34 HE1 LYS 34 47.242 12.986 -2.969 254 2HE LYS 34 HE2 LYS 34 47.539 11.914 -1.585 255 1HZ LYS 34 HZ1 LYS 34 45.390 13.952 -1.877 256 2HZ LYS 34 HZ2 LYS 34 46.666 13.965 -0.755 257 3HZ LYS 34 HZ3 LYS 34 45.431 12.807 -0.626 258 H ALA 35 HN ALA 35 44.643 7.039 -5.771 259 HA ALA 35 HA ALA 35 42.075 7.779 -6.800 260 1HB ALA 35 HB1 ALA 35 42.481 6.017 -8.345 261 2HB ALA 35 HB2 ALA 35 43.414 5.092 -7.168 262 3HB ALA 35 HB3 ALA 35 44.093 6.557 -7.877 263 H MET 36 HN MET 36 43.102 4.952 -4.857 264 HA MET 36 HA MET 36 40.529 3.722 -4.615 265 1HB MET 36 HB1 MET 36 42.677 3.705 -2.491 266 2HB MET 36 HB2 MET 36 42.930 2.906 -4.043 267 1HG MET 36 HG1 MET 36 41.539 1.190 -3.516 268 2HG MET 36 HG2 MET 36 40.330 2.268 -2.827 269 1HE MET 36 HE1 MET 36 42.575 -0.575 -2.063 270 2HE MET 36 HE2 MET 36 43.680 -0.024 -0.807 271 3HE MET 36 HE3 MET 36 43.766 0.684 -2.419 272 H GLU 37 HN GLU 37 42.164 6.192 -2.626 273 HA GLU 37 HA GLU 37 40.410 6.359 -0.430 274 1HB GLU 37 HB1 GLU 37 41.725 8.651 -1.923 275 2HB GLU 37 HB2 GLU 37 42.573 7.569 -0.819 276 1HG GLU 37 HG1 GLU 37 41.995 9.041 0.807 277 2HG GLU 37 HG2 GLU 37 40.376 8.356 0.675 278 H LYS 38 HN LYS 38 40.033 7.767 -3.679 279 HA LYS 38 HA LYS 38 37.640 9.290 -3.049 280 1HB LYS 38 HB1 LYS 38 37.523 9.135 -5.672 281 2HB LYS 38 HB2 LYS 38 39.107 8.374 -5.514 282 1HG LYS 38 HG1 LYS 38 39.512 10.484 -3.908 283 2HG LYS 38 HG2 LYS 38 38.281 11.186 -4.958 284 1HD LYS 38 HD1 LYS 38 39.853 10.026 -6.826 285 2HD LYS 38 HD2 LYS 38 41.066 10.348 -5.589 286 1HE LYS 38 HE1 LYS 38 41.105 12.532 -6.203 287 2HE LYS 38 HE2 LYS 38 39.372 12.673 -5.851 288 1HZ LYS 38 HZ1 LYS 38 38.849 11.843 -8.005 289 2HZ LYS 38 HZ2 LYS 38 40.466 11.434 -8.325 290 3HZ LYS 38 HZ3 LYS 38 40.003 13.065 -8.234 291 H SER 39 HN SER 39 38.267 6.032 -4.320 292 HA SER 39 HA SER 39 35.413 5.334 -3.807 293 1HB SER 39 HB1 SER 39 36.949 4.968 -6.399 294 2HB SER 39 HB2 SER 39 35.556 6.015 -6.146 295 HG SER 39 HG SER 39 35.602 3.401 -6.726 296 H SER 40 HN SER 40 36.973 4.372 -2.005 297 HA SER 40 HA SER 40 38.351 1.886 -2.845 298 1HB SER 40 HB1 SER 40 38.089 3.560 -0.352 299 2HB SER 40 HB2 SER 40 39.544 3.167 -1.260 300 HG SER 40 HG SER 40 39.584 1.876 0.508 301 H LEU 41 HN LEU 41 37.880 -0.122 -1.536 302 HA LEU 41 HA LEU 41 35.026 -0.728 -1.544 303 1HB LEU 41 HB1 LEU 41 37.083 -2.485 -0.261 304 2HB LEU 41 HB2 LEU 41 37.275 -2.133 -1.977 305 HG LEU 41 HG LEU 41 35.978 -4.206 -1.626 306 1HD1 LEU 41 HD11 LEU 41 33.887 -4.237 -0.477 307 2HD1 LEU 41 HD12 LEU 41 33.835 -2.476 -0.376 308 3HD1 LEU 41 HD13 LEU 41 35.002 -3.380 0.589 309 1HD2 LEU 41 HD21 LEU 41 33.999 -2.146 -2.579 310 2HD2 LEU 41 HD22 LEU 41 34.339 -3.746 -3.238 311 3HD2 LEU 41 HD23 LEU 41 35.484 -2.428 -3.487 312 H THR 42 HN THR 42 37.531 -0.226 0.921 313 HA THR 42 HA THR 42 35.498 -0.477 3.093 314 HB THR 42 HB THR 42 37.592 -0.484 4.501 315 HG1 THR 42 HG1 THR 42 39.143 0.487 3.437 316 1HG2 THR 42 HG21 THR 42 37.318 -2.699 4.207 317 2HG2 THR 42 HG22 THR 42 38.475 -2.594 2.881 318 3HG2 THR 42 HG23 THR 42 36.747 -2.470 2.554 319 H GLN 43 HN GLN 43 36.699 1.216 4.977 320 HA GLN 43 HA GLN 43 36.379 3.910 3.700 321 1HB GLN 43 HB1 GLN 43 35.927 3.433 6.613 322 2HB GLN 43 HB2 GLN 43 34.745 2.763 5.489 323 1HG GLN 43 HG1 GLN 43 34.221 4.906 4.604 324 2HG GLN 43 HG2 GLN 43 35.659 5.639 5.316 325 1HE2 GLN 43 HE21 GLN 43 34.807 7.101 6.834 326 2HE2 GLN 43 HE22 GLN 43 33.693 6.683 8.045 327 H HIS 44 HN HIS 44 38.635 4.278 3.354 328 HA HIS 44 HA HIS 44 40.139 4.983 5.806 329 1HB HIS 44 HB1 HIS 44 42.027 3.550 4.367 330 2HB HIS 44 HB2 HIS 44 40.557 2.602 4.126 331 HD1 HIS 44 HD1 HIS 44 42.710 4.022 6.893 332 HD2 HIS 44 HD2 HIS 44 39.686 1.201 6.387 333 HE1 HIS 44 HE1 HIS 44 42.481 2.822 9.103 334 H SER 45 HN SER 45 42.091 6.235 5.302 335 HA SER 45 HA SER 45 41.701 8.012 3.001 336 1HB SER 45 HB1 SER 45 42.563 9.225 4.752 337 2HB SER 45 HB2 SER 45 44.099 8.718 4.065 338 HG SER 45 HG SER 45 42.801 7.812 6.348 339 H TRP 46 HN TRP 46 44.227 8.547 2.080 340 HA TRP 46 HA TRP 46 44.871 6.052 0.606 341 1HB TRP 46 HB1 TRP 46 44.326 8.371 -0.410 342 2HB TRP 46 HB2 TRP 46 45.719 7.518 -1.055 343 HD1 TRP 46 HD1 TRP 46 44.738 10.750 0.459 344 HE1 TRP 46 HE1 TRP 46 46.836 12.186 0.912 345 HE3 TRP 46 HE3 TRP 46 48.359 7.224 -0.186 346 HZ2 TRP 46 HZ2 TRP 46 49.685 11.865 0.996 347 HZ3 TRP 46 HZ3 TRP 46 50.753 7.804 0.088 348 HH2 TRP 46 HH2 TRP 46 51.420 10.115 0.680 349 H GLN 47 HN GLN 47 46.380 8.470 2.716 350 HA GLN 47 HA GLN 47 49.065 7.389 2.558 351 1HB GLN 47 HB1 GLN 47 48.021 8.917 4.918 352 2HB GLN 47 HB2 GLN 47 48.039 9.711 3.342 353 1HG GLN 47 HG1 GLN 47 50.405 9.432 3.131 354 2HG GLN 47 HG2 GLN 47 50.462 8.302 4.484 355 1HE2 GLN 47 HE21 GLN 47 51.731 11.101 4.026 356 2HE2 GLN 47 HE22 GLN 47 51.315 11.960 5.428 357 H SER 48 HN SER 48 46.384 7.025 4.887 358 HA SER 48 HA SER 48 47.677 5.444 6.851 359 1HB SER 48 HB1 SER 48 44.855 4.938 5.925 360 2HB SER 48 HB2 SER 48 45.278 6.485 6.649 361 HG SER 48 HG SER 48 45.812 3.974 7.837 362 H LEU 49 HN LEU 49 46.503 4.593 3.652 363 HA LEU 49 HA LEU 49 46.783 1.690 4.094 364 1HB LEU 49 HB1 LEU 49 45.975 1.564 1.800 365 2HB LEU 49 HB2 LEU 49 46.331 3.268 1.536 366 HG LEU 49 HG LEU 49 44.639 3.877 3.237 367 1HD1 LEU 49 HD11 LEU 49 42.657 3.227 1.913 368 2HD1 LEU 49 HD12 LEU 49 43.612 1.997 1.086 369 3HD1 LEU 49 HD13 LEU 49 43.989 3.705 0.861 370 1HD2 LEU 49 HD21 LEU 49 43.036 1.804 3.724 371 2HD2 LEU 49 HD22 LEU 49 44.437 2.121 4.749 372 3HD2 LEU 49 HD23 LEU 49 44.526 0.890 3.489 373 H LYS 50 HN LYS 50 48.417 4.287 2.285 374 HA LYS 50 HA LYS 50 50.456 2.669 1.066 375 1HB LYS 50 HB1 LYS 50 50.388 5.595 1.895 376 2HB LYS 50 HB2 LYS 50 49.833 4.947 0.352 377 1HG LYS 50 HG1 LYS 50 51.970 5.620 -0.239 378 2HG LYS 50 HG2 LYS 50 52.304 3.965 0.270 379 1HD LYS 50 HD1 LYS 50 53.587 4.677 1.990 380 2HD LYS 50 HD2 LYS 50 52.333 5.780 2.549 381 1HE LYS 50 HE1 LYS 50 53.473 6.862 0.135 382 2HE LYS 50 HE2 LYS 50 54.787 6.451 1.253 383 1HZ LYS 50 HZ1 LYS 50 53.984 8.607 1.842 384 2HZ LYS 50 HZ2 LYS 50 53.417 7.529 3.027 385 3HZ LYS 50 HZ3 LYS 50 52.369 8.091 1.813 386 H ASP 51 HN ASP 51 50.143 4.144 4.247 387 HA ASP 51 HA ASP 51 52.933 3.834 5.014 388 1HB ASP 51 HB1 ASP 51 50.493 4.089 6.786 389 2HB ASP 51 HB2 ASP 51 51.177 5.457 5.907 390 H ARG 52 HN ARG 52 49.946 2.111 6.040 391 HA ARG 52 HA ARG 52 51.265 0.111 7.582 392 1HB ARG 52 HB1 ARG 52 48.809 -0.741 6.217 393 2HB ARG 52 HB2 ARG 52 48.677 0.864 6.936 394 1HG ARG 52 HG1 ARG 52 48.039 -0.644 8.665 395 2HG ARG 52 HG2 ARG 52 49.695 -0.176 9.053 396 1HD ARG 52 HD1 ARG 52 49.597 -2.573 9.296 397 2HD ARG 52 HD2 ARG 52 50.430 -2.288 7.752 398 HE ARG 52 HE ARG 52 48.044 -2.515 6.741 399 1HH1 ARG 52 HH11 ARG 52 46.001 -3.224 8.123 400 2HH1 ARG 52 HH12 ARG 52 46.181 -4.839 8.722 401 1HH2 ARG 52 HH21 ARG 52 49.606 -4.937 8.186 402 2HH2 ARG 52 HH22 ARG 52 48.223 -5.810 8.758 403 H TYR 53 HN TYR 53 50.357 0.139 4.123 404 HA TYR 53 HA TYR 53 51.004 -2.573 3.523 405 1HB TYR 53 HB1 TYR 53 51.486 -0.261 1.648 406 2HB TYR 53 HB2 TYR 53 49.848 -0.697 2.142 407 HD1 TYR 53 HD1 TYR 53 48.954 -2.972 1.642 408 HD2 TYR 53 HD2 TYR 53 52.753 -1.644 0.139 409 HE1 TYR 53 HE1 TYR 53 48.957 -4.834 0.005 410 HE2 TYR 53 HE2 TYR 53 52.755 -3.505 -1.500 411 HH TYR 53 HH TYR 53 49.974 -5.388 -2.142 412 H LEU 54 HN LEU 54 53.027 0.363 3.219 413 HA LEU 54 HA LEU 54 55.432 -1.156 2.551 414 1HB LEU 54 HB1 LEU 54 56.416 1.198 2.977 415 2HB LEU 54 HB2 LEU 54 54.747 1.701 3.245 416 HG LEU 54 HG LEU 54 54.170 0.737 0.994 417 1HD1 LEU 54 HD11 LEU 54 54.504 3.108 1.100 418 2HD1 LEU 54 HD12 LEU 54 55.409 2.546 -0.306 419 3HD1 LEU 54 HD13 LEU 54 56.255 2.923 1.195 420 1HD2 LEU 54 HD21 LEU 54 57.153 0.282 1.006 421 2HD2 LEU 54 HD22 LEU 54 56.275 0.484 -0.509 422 3HD2 LEU 54 HD23 LEU 54 55.871 -0.849 0.574 423 H LYS 55 HN LYS 55 53.880 -0.072 5.493 424 HA LYS 55 HA LYS 55 56.089 0.059 7.279 425 1HB LYS 55 HB1 LYS 55 54.018 -0.919 8.784 426 2HB LYS 55 HB2 LYS 55 53.161 -0.317 7.367 427 1HG LYS 55 HG1 LYS 55 53.253 1.682 8.468 428 2HG LYS 55 HG2 LYS 55 54.892 1.744 7.822 429 1HD LYS 55 HD1 LYS 55 55.408 2.035 10.044 430 2HD LYS 55 HD2 LYS 55 55.356 0.272 10.034 431 1HE LYS 55 HE1 LYS 55 53.228 0.213 11.049 432 2HE LYS 55 HE2 LYS 55 52.844 1.874 10.552 433 1HZ LYS 55 HZ1 LYS 55 53.492 1.772 12.895 434 2HZ LYS 55 HZ2 LYS 55 54.624 2.663 11.994 435 3HZ LYS 55 HZ3 LYS 55 54.978 1.071 12.470 436 H HIS 56 HN HIS 56 53.935 -2.746 6.587 437 HA HIS 56 HA HIS 56 56.183 -4.589 6.858 438 1HB HIS 56 HB1 HIS 56 55.786 -4.074 9.190 439 2HB HIS 56 HB2 HIS 56 55.243 -5.714 8.875 440 HD1 HIS 56 HD1 HIS 56 53.949 -4.878 11.230 441 HD2 HIS 56 HD2 HIS 56 52.465 -3.575 7.562 442 HE1 HIS 56 HE1 HIS 56 51.546 -4.198 11.630 443 H LEU 57 HN LEU 57 54.406 -4.286 4.725 444 HA LEU 57 HA LEU 57 52.964 -6.915 4.816 445 1HB LEU 57 HB1 LEU 57 51.217 -5.767 3.382 446 2HB LEU 57 HB2 LEU 57 52.030 -4.244 3.735 447 HG LEU 57 HG LEU 57 51.768 -4.796 6.187 448 1HD1 LEU 57 HD11 LEU 57 50.236 -3.188 5.486 449 2HD1 LEU 57 HD12 LEU 57 49.148 -4.468 6.022 450 3HD1 LEU 57 HD13 LEU 57 49.493 -4.268 4.306 451 1HD2 LEU 57 HD21 LEU 57 50.433 -7.139 4.922 452 2HD2 LEU 57 HD22 LEU 57 49.648 -6.458 6.348 453 3HD2 LEU 57 HD23 LEU 57 51.311 -7.036 6.447 454 H ARG 58 HN ARG 58 54.004 -4.301 2.598 455 HA ARG 58 HA ARG 58 54.972 -4.399 0.446 456 1HB ARG 58 HB1 ARG 58 56.773 -6.158 0.346 457 2HB ARG 58 HB2 ARG 58 56.138 -6.817 1.855 458 1HG ARG 58 HG1 ARG 58 56.415 -4.447 2.811 459 2HG ARG 58 HG2 ARG 58 57.383 -4.103 1.377 460 1HD ARG 58 HD1 ARG 58 58.605 -6.373 2.107 461 2HD ARG 58 HD2 ARG 58 57.998 -5.889 3.702 462 HE ARG 58 HE ARG 58 59.099 -3.575 2.479 463 1HH1 ARG 58 HH11 ARG 58 59.893 -4.884 5.144 464 2HH1 ARG 58 HH12 ARG 58 61.577 -5.178 4.868 465 1HH2 ARG 58 HH21 ARG 58 61.366 -4.725 1.436 466 2HH2 ARG 58 HH22 ARG 58 62.411 -5.088 2.770 467 H GLY 59 HN GLY 59 55.482 -6.197 -1.401 468 1HA GLY 59 HA1 GLY 59 53.437 -6.958 -2.861 469 2HA GLY 59 HA2 GLY 59 53.210 -8.119 -1.550 Start of MODEL 19 1 1H GLY 1 HT1 GLY 1 45.107 6.089 16.820 2 2H GLY 1 HT2 GLY 1 45.939 7.085 17.916 3 3H GLY 1 HT3 GLY 1 46.552 6.843 16.351 4 1HA GLY 1 HA1 GLY 1 45.594 8.926 16.186 5 2HA GLY 1 HA2 GLY 1 44.237 8.454 17.209 6 H ARG 2 HN ARG 2 45.412 6.321 14.687 7 HA ARG 2 HA ARG 2 43.184 7.132 12.876 8 1HB ARG 2 HB1 ARG 2 44.569 5.419 11.413 9 2HB ARG 2 HB2 ARG 2 45.807 5.690 12.639 10 1HG ARG 2 HG1 ARG 2 45.412 8.199 12.243 11 2HG ARG 2 HG2 ARG 2 44.526 7.714 10.796 12 1HD ARG 2 HD1 ARG 2 46.443 7.030 9.703 13 2HD ARG 2 HD2 ARG 2 47.228 6.500 11.203 14 HE ARG 2 HE ARG 2 46.767 9.416 10.820 15 1HH1 ARG 2 HH11 ARG 2 48.676 7.251 12.400 16 2HH1 ARG 2 HH12 ARG 2 50.198 7.935 11.935 17 1HH2 ARG 2 HH21 ARG 2 48.818 10.076 9.582 18 2HH2 ARG 2 HH22 ARG 2 50.277 9.535 10.340 19 H ILE 3 HN ILE 3 42.516 4.926 11.565 20 HA ILE 3 HA ILE 3 41.159 3.255 13.576 21 HB ILE 3 HB ILE 3 41.160 3.306 10.537 22 1HG1 ILE 3 HG11 ILE 3 40.351 5.383 11.703 23 2HG1 ILE 3 HG12 ILE 3 39.129 4.396 12.508 24 1HG2 ILE 3 HG21 ILE 3 40.360 1.153 11.223 25 2HG2 ILE 3 HG22 ILE 3 38.926 2.121 10.882 26 3HG2 ILE 3 HG23 ILE 3 39.430 1.849 12.550 27 1HD1 ILE 3 HD11 ILE 3 38.188 5.459 10.499 28 2HD1 ILE 3 HD12 ILE 3 38.253 3.708 10.293 29 3HD1 ILE 3 HD13 ILE 3 39.455 4.733 9.511 30 H ALA 4 HN ALA 4 41.176 0.827 13.216 31 HA ALA 4 HA ALA 4 43.972 -0.117 12.903 32 1HB ALA 4 HB1 ALA 4 42.535 -2.260 13.709 33 2HB ALA 4 HB2 ALA 4 41.441 -0.975 14.216 34 3HB ALA 4 HB3 ALA 4 43.092 -1.019 14.832 35 H PHE 5 HN PHE 5 43.588 -2.724 12.099 36 HA PHE 5 HA PHE 5 42.122 -2.596 9.496 37 1HB PHE 5 HB1 PHE 5 44.232 -3.682 8.527 38 2HB PHE 5 HB2 PHE 5 45.035 -3.223 10.030 39 HD1 PHE 5 HD1 PHE 5 43.186 -1.893 7.084 40 HD2 PHE 5 HD2 PHE 5 45.716 -0.974 10.433 41 HE1 PHE 5 HE1 PHE 5 43.522 0.400 6.202 42 HE2 PHE 5 HE2 PHE 5 46.050 1.319 9.552 43 HZ PHE 5 HZ PHE 5 44.954 2.006 7.436 44 H THR 6 HN THR 6 40.602 -4.161 10.128 45 HA THR 6 HA THR 6 41.210 -6.567 11.592 46 HB THR 6 HB THR 6 38.975 -5.554 11.441 47 HG1 THR 6 HG1 THR 6 39.188 -7.844 11.689 48 1HG2 THR 6 HG21 THR 6 38.175 -6.443 8.834 49 2HG2 THR 6 HG22 THR 6 39.601 -5.419 8.663 50 3HG2 THR 6 HG23 THR 6 38.165 -4.804 9.482 51 H ASP 7 HN ASP 7 40.065 -8.612 10.058 52 HA ASP 7 HA ASP 7 42.295 -9.314 8.285 53 1HB ASP 7 HB1 ASP 7 40.838 -11.421 8.086 54 2HB ASP 7 HB2 ASP 7 39.743 -10.640 9.227 55 H ALA 8 HN ALA 8 38.857 -8.484 7.945 56 HA ALA 8 HA ALA 8 38.587 -9.072 5.146 57 1HB ALA 8 HB1 ALA 8 37.158 -6.856 6.618 58 2HB ALA 8 HB2 ALA 8 36.847 -8.547 7.009 59 3HB ALA 8 HB3 ALA 8 36.518 -7.943 5.385 60 H ASP 9 HN ASP 9 39.891 -6.312 6.895 61 HA ASP 9 HA ASP 9 39.953 -4.501 4.606 62 1HB ASP 9 HB1 ASP 9 41.458 -3.228 6.225 63 2HB ASP 9 HB2 ASP 9 41.246 -4.574 7.345 64 H ASP 10 HN ASP 10 42.340 -6.564 6.279 65 HA ASP 10 HA ASP 10 44.658 -5.835 4.792 66 1HB ASP 10 HB1 ASP 10 45.251 -8.312 5.452 67 2HB ASP 10 HB2 ASP 10 43.704 -8.261 6.299 68 H VAL 11 HN VAL 11 42.145 -8.265 4.136 69 HA VAL 11 HA VAL 11 43.400 -9.374 1.771 70 HB VAL 11 HB VAL 11 40.518 -9.310 2.738 71 1HG1 VAL 11 HG11 VAL 11 41.917 -11.106 0.730 72 2HG1 VAL 11 HG12 VAL 11 40.643 -9.938 0.375 73 3HG1 VAL 11 HG13 VAL 11 40.285 -11.366 1.347 74 1HG2 VAL 11 HG21 VAL 11 41.025 -11.457 3.760 75 2HG2 VAL 11 HG22 VAL 11 42.217 -10.283 4.320 76 3HG2 VAL 11 HG23 VAL 11 42.646 -11.447 3.067 77 H ALA 12 HN ALA 12 41.112 -6.738 2.369 78 HA ALA 12 HA ALA 12 40.438 -6.260 -0.413 79 1HB ALA 12 HB1 ALA 12 39.098 -5.583 1.592 80 2HB ALA 12 HB2 ALA 12 39.430 -4.227 0.514 81 3HB ALA 12 HB3 ALA 12 40.359 -4.419 2.001 82 H ILE 13 HN ILE 13 42.682 -4.694 1.885 83 HA ILE 13 HA ILE 13 43.741 -2.740 0.078 84 HB ILE 13 HB ILE 13 44.928 -4.141 2.502 85 1HG1 ILE 13 HG11 ILE 13 42.731 -2.924 2.797 86 2HG1 ILE 13 HG12 ILE 13 43.548 -1.448 2.279 87 1HG2 ILE 13 HG21 ILE 13 46.721 -3.054 1.306 88 2HG2 ILE 13 HG22 ILE 13 46.293 -2.016 2.667 89 3HG2 ILE 13 HG23 ILE 13 45.741 -1.612 1.041 90 1HD1 ILE 13 HD11 ILE 13 43.380 -2.050 4.851 91 2HD1 ILE 13 HD12 ILE 13 44.859 -1.345 4.200 92 3HD1 ILE 13 HD13 ILE 13 44.761 -3.082 4.483 93 H LEU 14 HN LEU 14 44.441 -6.158 0.539 94 HA LEU 14 HA LEU 14 46.947 -6.092 -0.991 95 1HB LEU 14 HB1 LEU 14 45.152 -8.308 0.048 96 2HB LEU 14 HB2 LEU 14 46.577 -7.656 0.853 97 HG LEU 14 HG LEU 14 46.596 -9.037 -1.847 98 1HD1 LEU 14 HD11 LEU 14 48.839 -8.138 -0.010 99 2HD1 LEU 14 HD12 LEU 14 48.391 -7.368 -1.532 100 3HD1 LEU 14 HD13 LEU 14 49.046 -9.006 -1.531 101 1HD2 LEU 14 HD21 LEU 14 47.838 -10.146 0.655 102 2HD2 LEU 14 HD22 LEU 14 47.277 -11.000 -0.783 103 3HD2 LEU 14 HD23 LEU 14 46.111 -10.373 0.381 104 H THR 15 HN THR 15 43.839 -7.798 -1.520 105 HA THR 15 HA THR 15 44.163 -8.591 -4.178 106 HB THR 15 HB THR 15 41.643 -7.496 -2.894 107 HG1 THR 15 HG1 THR 15 41.418 -9.593 -2.094 108 1HG2 THR 15 HG21 THR 15 41.504 -8.022 -5.323 109 2HG2 THR 15 HG22 THR 15 40.500 -9.091 -4.344 110 3HG2 THR 15 HG23 THR 15 42.045 -9.664 -4.973 111 H TYR 16 HN TYR 16 43.237 -5.371 -2.999 112 HA TYR 16 HA TYR 16 42.613 -4.316 -5.653 113 1HB TYR 16 HB1 TYR 16 43.170 -3.007 -2.968 114 2HB TYR 16 HB2 TYR 16 41.586 -3.492 -3.570 115 HD1 TYR 16 HD1 TYR 16 44.385 -1.119 -3.991 116 HD2 TYR 16 HD2 TYR 16 40.435 -2.207 -5.279 117 HE1 TYR 16 HE1 TYR 16 44.165 1.062 -5.148 118 HE2 TYR 16 HE2 TYR 16 40.214 -0.025 -6.437 119 HH TYR 16 HH TYR 16 41.943 2.554 -5.841 120 H VAL 17 HN VAL 17 45.358 -3.985 -3.380 121 HA VAL 17 HA VAL 17 46.911 -2.268 -5.125 122 HB VAL 17 HB VAL 17 47.570 -4.004 -2.722 123 1HG1 VAL 17 HG11 VAL 17 49.611 -3.555 -4.044 124 2HG1 VAL 17 HG12 VAL 17 49.631 -2.663 -2.524 125 3HG1 VAL 17 HG13 VAL 17 49.239 -1.832 -4.029 126 1HG2 VAL 17 HG21 VAL 17 45.958 -1.903 -2.716 127 2HG2 VAL 17 HG22 VAL 17 47.476 -1.007 -2.754 128 3HG2 VAL 17 HG23 VAL 17 47.142 -2.122 -1.428 129 H LYS 18 HN LYS 18 47.016 -5.773 -4.409 130 HA LYS 18 HA LYS 18 49.265 -6.393 -6.076 131 1HB LYS 18 HB1 LYS 18 46.899 -8.170 -5.433 132 2HB LYS 18 HB2 LYS 18 48.142 -7.769 -4.247 133 1HG LYS 18 HG1 LYS 18 48.842 -8.914 -6.953 134 2HG LYS 18 HG2 LYS 18 48.453 -9.953 -5.582 135 1HD LYS 18 HD1 LYS 18 50.370 -9.373 -4.428 136 2HD LYS 18 HD2 LYS 18 50.439 -7.763 -5.148 137 1HE LYS 18 HE1 LYS 18 50.801 -10.071 -7.007 138 2HE LYS 18 HE2 LYS 18 52.135 -9.717 -5.892 139 1HZ LYS 18 HZ1 LYS 18 51.868 -7.338 -6.566 140 2HZ LYS 18 HZ2 LYS 18 50.791 -7.845 -7.776 141 3HZ LYS 18 HZ3 LYS 18 52.413 -8.348 -7.815 142 H GLU 19 HN GLU 19 45.834 -5.981 -6.788 143 HA GLU 19 HA GLU 19 46.018 -7.145 -9.476 144 1HB GLU 19 HB1 GLU 19 43.660 -6.006 -9.511 145 2HB GLU 19 HB2 GLU 19 43.964 -5.718 -7.798 146 1HG GLU 19 HG1 GLU 19 42.989 -7.803 -7.636 147 2HG GLU 19 HG2 GLU 19 44.656 -8.311 -7.904 148 H ASN 20 HN ASN 20 46.299 -3.947 -8.029 149 HA ASN 20 HA ASN 20 46.296 -2.667 -10.728 150 1HB ASN 20 HB1 ASN 20 46.114 -0.592 -9.381 151 2HB ASN 20 HB2 ASN 20 46.273 -1.546 -7.908 152 1HD2 ASN 20 HD21 ASN 20 44.105 -0.843 -7.239 153 2HD2 ASN 20 HD22 ASN 20 42.719 -1.512 -7.954 154 H ALA 21 HN ALA 21 48.172 -2.290 -7.690 155 HA ALA 21 HA ALA 21 50.415 -0.947 -8.637 156 1HB ALA 21 HB1 ALA 21 51.525 -1.874 -6.687 157 2HB ALA 21 HB2 ALA 21 50.424 -3.250 -6.664 158 3HB ALA 21 HB3 ALA 21 49.825 -1.635 -6.286 159 H ARG 22 HN ARG 22 51.286 -1.560 -10.649 160 HA ARG 22 HA ARG 22 52.641 -4.228 -10.738 161 1HB ARG 22 HB1 ARG 22 51.109 -2.961 -13.027 162 2HB ARG 22 HB2 ARG 22 50.403 -4.154 -11.937 163 1HG ARG 22 HG1 ARG 22 52.834 -5.304 -12.706 164 2HG ARG 22 HG2 ARG 22 52.244 -4.539 -14.182 165 1HD ARG 22 HD1 ARG 22 50.016 -5.684 -13.779 166 2HD ARG 22 HD2 ARG 22 50.797 -6.585 -12.465 167 HE ARG 22 HE ARG 22 52.408 -7.441 -14.191 168 1HH1 ARG 22 HH11 ARG 22 50.997 -9.147 -15.435 169 2HH1 ARG 22 HH12 ARG 22 50.319 -8.489 -16.888 170 1HH2 ARG 22 HH21 ARG 22 50.880 -5.192 -15.970 171 2HH2 ARG 22 HH22 ARG 22 50.254 -6.250 -17.190 172 H SER 23 HN SER 23 52.324 -1.001 -12.249 173 HA SER 23 HA SER 23 55.101 -1.203 -13.294 174 1HB SER 23 HB1 SER 23 52.973 -0.419 -14.558 175 2HB SER 23 HB2 SER 23 54.429 0.553 -14.735 176 HG SER 23 HG SER 23 52.305 1.043 -12.927 177 HA PRO 24 HA PRO 24 56.738 1.414 -10.144 178 1HB PRO 24 HB1 PRO 24 58.820 1.224 -11.149 179 2HB PRO 24 HB2 PRO 24 58.554 2.942 -11.510 180 1HG PRO 24 HG1 PRO 24 59.020 1.143 -13.436 181 2HG PRO 24 HG2 PRO 24 57.920 2.508 -13.679 182 1HD PRO 24 HD1 PRO 24 57.311 -0.374 -13.276 183 2HD PRO 24 HD2 PRO 24 56.417 0.859 -14.192 184 H SER 25 HN SER 25 54.387 2.419 -10.394 185 HA SER 25 HA SER 25 54.677 5.327 -10.393 186 1HB SER 25 HB1 SER 25 54.613 4.711 -12.816 187 2HB SER 25 HB2 SER 25 53.246 5.714 -12.340 188 HG SER 25 HG SER 25 52.412 4.023 -13.481 189 H SER 26 HN SER 26 52.423 2.560 -10.561 190 HA SER 26 HA SER 26 50.085 3.781 -9.550 191 1HB SER 26 HB1 SER 26 49.632 1.400 -8.735 192 2HB SER 26 HB2 SER 26 51.259 1.004 -9.279 193 HG SER 26 HG SER 26 49.103 1.967 -10.832 194 H VAL 27 HN VAL 27 52.344 1.791 -7.580 195 HA VAL 27 HA VAL 27 51.447 3.310 -5.179 196 HB VAL 27 HB VAL 27 52.437 1.372 -3.966 197 1HG1 VAL 27 HG11 VAL 27 50.569 0.749 -6.265 198 2HG1 VAL 27 HG12 VAL 27 50.127 1.169 -4.610 199 3HG1 VAL 27 HG13 VAL 27 50.902 -0.378 -4.951 200 1HG2 VAL 27 HG21 VAL 27 54.104 1.065 -6.052 201 2HG2 VAL 27 HG22 VAL 27 52.853 -0.069 -6.553 202 3HG2 VAL 27 HG23 VAL 27 53.670 -0.286 -5.006 203 H THR 28 HN THR 28 53.478 4.272 -7.233 204 HA THR 28 HA THR 28 55.925 4.426 -5.522 205 HB THR 28 HB THR 28 55.424 5.160 -8.428 206 HG1 THR 28 HG1 THR 28 55.245 2.950 -8.101 207 1HG2 THR 28 HG21 THR 28 57.444 6.058 -6.842 208 2HG2 THR 28 HG22 THR 28 57.614 5.780 -8.575 209 3HG2 THR 28 HG23 THR 28 58.142 4.548 -7.428 210 H GLY 29 HN GLY 29 53.370 6.340 -7.011 211 1HA GLY 29 HA1 GLY 29 53.568 8.833 -7.217 212 2HA GLY 29 HA2 GLY 29 54.517 8.791 -5.730 213 H ASN 30 HN ASN 30 52.696 6.710 -4.568 214 HA ASN 30 HA ASN 30 50.749 6.626 -3.237 215 1HB ASN 30 HB1 ASN 30 50.229 8.774 -2.144 216 2HB ASN 30 HB2 ASN 30 51.166 9.629 -3.367 217 1HD2 ASN 30 HD21 ASN 30 52.104 10.141 -0.915 218 2HD2 ASN 30 HD22 ASN 30 53.486 9.231 -0.536 219 H ALA 31 HN ALA 31 50.369 6.815 -6.209 220 HA ALA 31 HA ALA 31 47.957 8.512 -6.503 221 1HB ALA 31 HB1 ALA 31 50.059 7.626 -8.140 222 2HB ALA 31 HB2 ALA 31 48.638 8.528 -8.662 223 3HB ALA 31 HB3 ALA 31 48.639 6.767 -8.737 224 H LEU 32 HN LEU 32 48.784 5.040 -6.915 225 HA LEU 32 HA LEU 32 46.175 4.065 -7.437 226 1HB LEU 32 HB1 LEU 32 47.939 2.390 -5.736 227 2HB LEU 32 HB2 LEU 32 48.709 3.056 -7.177 228 HG LEU 32 HG LEU 32 46.025 1.680 -7.293 229 1HD1 LEU 32 HD11 LEU 32 47.161 1.258 -9.666 230 2HD1 LEU 32 HD12 LEU 32 48.087 2.689 -9.211 231 3HD1 LEU 32 HD13 LEU 32 46.328 2.771 -9.312 232 1HD2 LEU 32 HD21 LEU 32 47.841 -0.115 -8.315 233 2HD2 LEU 32 HD22 LEU 32 47.141 -0.215 -6.701 234 3HD2 LEU 32 HD23 LEU 32 48.721 0.532 -6.934 235 H TRP 33 HN TRP 33 47.694 4.998 -4.406 236 HA TRP 33 HA TRP 33 45.588 3.845 -2.713 237 1HB TRP 33 HB1 TRP 33 46.881 4.836 -0.914 238 2HB TRP 33 HB2 TRP 33 47.701 5.923 -2.033 239 HD1 TRP 33 HD1 TRP 33 49.695 5.003 -3.421 240 HE1 TRP 33 HE1 TRP 33 51.049 2.816 -3.350 241 HE3 TRP 33 HE3 TRP 33 46.684 2.182 -0.405 242 HZ2 TRP 33 HZ2 TRP 33 50.879 0.231 -2.212 243 HZ3 TRP 33 HZ3 TRP 33 47.320 -0.150 0.158 244 HH2 TRP 33 HH2 TRP 33 49.419 -1.124 -0.740 245 H LYS 34 HN LYS 34 46.570 7.097 -3.820 246 HA LYS 34 HA LYS 34 44.516 8.596 -2.507 247 1HB LYS 34 HB1 LYS 34 45.017 10.042 -4.724 248 2HB LYS 34 HB2 LYS 34 46.361 8.905 -4.839 249 1HG LYS 34 HG1 LYS 34 47.406 9.765 -2.989 250 2HG LYS 34 HG2 LYS 34 45.889 10.067 -2.151 251 1HD LYS 34 HD1 LYS 34 45.495 11.995 -3.728 252 2HD LYS 34 HD2 LYS 34 47.126 11.742 -4.352 253 1HE LYS 34 HE1 LYS 34 46.793 11.986 -1.382 254 2HE LYS 34 HE2 LYS 34 46.688 13.463 -2.361 255 1HZ LYS 34 HZ1 LYS 34 48.988 12.984 -1.778 256 2HZ LYS 34 HZ2 LYS 34 48.764 12.801 -3.453 257 3HZ LYS 34 HZ3 LYS 34 48.867 11.433 -2.451 258 H ALA 35 HN ALA 35 44.606 6.900 -5.625 259 HA ALA 35 HA ALA 35 42.116 7.782 -6.704 260 1HB ALA 35 HB1 ALA 35 42.299 5.585 -7.957 261 2HB ALA 35 HB2 ALA 35 43.668 5.180 -6.921 262 3HB ALA 35 HB3 ALA 35 43.765 6.565 -8.009 263 H MET 36 HN MET 36 42.911 5.017 -4.588 264 HA MET 36 HA MET 36 40.284 3.901 -4.384 265 1HB MET 36 HB1 MET 36 42.038 3.864 -1.991 266 2HB MET 36 HB2 MET 36 42.803 3.325 -3.486 267 1HG MET 36 HG1 MET 36 41.509 1.446 -3.620 268 2HG MET 36 HG2 MET 36 40.078 2.259 -2.996 269 1HE MET 36 HE1 MET 36 43.254 0.775 -2.670 270 2HE MET 36 HE2 MET 36 42.838 -0.526 -1.557 271 3HE MET 36 HE3 MET 36 43.765 0.856 -0.979 272 H GLU 37 HN GLU 37 41.919 6.463 -2.521 273 HA GLU 37 HA GLU 37 40.049 6.886 -0.447 274 1HB GLU 37 HB1 GLU 37 41.431 9.113 -1.951 275 2HB GLU 37 HB2 GLU 37 42.351 7.955 -0.991 276 1HG GLU 37 HG1 GLU 37 41.948 9.441 0.700 277 2HG GLU 37 HG2 GLU 37 40.392 8.614 0.782 278 H LYS 38 HN LYS 38 39.957 7.986 -3.823 279 HA LYS 38 HA LYS 38 37.614 9.683 -3.496 280 1HB LYS 38 HB1 LYS 38 37.705 9.187 -6.131 281 2HB LYS 38 HB2 LYS 38 39.304 8.575 -5.701 282 1HG LYS 38 HG1 LYS 38 39.507 10.930 -6.263 283 2HG LYS 38 HG2 LYS 38 39.747 10.748 -4.526 284 1HD LYS 38 HD1 LYS 38 36.986 11.082 -4.778 285 2HD LYS 38 HD2 LYS 38 37.650 12.190 -5.978 286 1HE LYS 38 HE1 LYS 38 38.874 13.401 -4.342 287 2HE LYS 38 HE2 LYS 38 38.729 12.095 -3.149 288 1HZ LYS 38 HZ1 LYS 38 36.430 13.587 -4.313 289 2HZ LYS 38 HZ2 LYS 38 37.125 13.948 -2.805 290 3HZ LYS 38 HZ3 LYS 38 36.368 12.447 -3.058 291 H SER 39 HN SER 39 38.161 6.273 -4.207 292 HA SER 39 HA SER 39 35.311 5.685 -3.780 293 1HB SER 39 HB1 SER 39 36.632 5.151 -6.458 294 2HB SER 39 HB2 SER 39 35.514 6.476 -6.150 295 HG SER 39 HG SER 39 35.018 3.715 -6.163 296 H SER 40 HN SER 40 36.722 4.542 -2.061 297 HA SER 40 HA SER 40 38.041 2.062 -3.066 298 1HB SER 40 HB1 SER 40 39.336 3.350 -1.515 299 2HB SER 40 HB2 SER 40 38.723 1.980 -0.597 300 HG SER 40 HG SER 40 38.432 4.412 0.082 301 H LEU 41 HN LEU 41 37.673 0.240 -1.187 302 HA LEU 41 HA LEU 41 34.744 -0.292 -1.210 303 1HB LEU 41 HB1 LEU 41 36.858 -2.200 -0.259 304 2HB LEU 41 HB2 LEU 41 36.772 -1.819 -1.980 305 HG LEU 41 HG LEU 41 34.258 -2.556 -0.506 306 1HD1 LEU 41 HD11 LEU 41 33.556 -3.286 -2.692 307 2HD1 LEU 41 HD12 LEU 41 35.202 -3.178 -3.316 308 3HD1 LEU 41 HD13 LEU 41 34.320 -1.710 -2.897 309 1HD2 LEU 41 HD21 LEU 41 35.748 -4.353 0.126 310 2HD2 LEU 41 HD22 LEU 41 36.388 -4.466 -1.514 311 3HD2 LEU 41 HD23 LEU 41 34.725 -4.950 -1.182 312 H THR 42 HN THR 42 37.507 -0.052 1.019 313 HA THR 42 HA THR 42 35.678 -0.328 3.361 314 HB THR 42 HB THR 42 38.020 -0.312 4.507 315 HG1 THR 42 HG1 THR 42 39.535 0.154 3.145 316 1HG2 THR 42 HG21 THR 42 38.209 -2.646 4.194 317 2HG2 THR 42 HG22 THR 42 37.585 -2.562 2.546 318 3HG2 THR 42 HG23 THR 42 36.501 -2.311 3.914 319 H GLN 43 HN GLN 43 36.683 1.213 5.259 320 HA GLN 43 HA GLN 43 36.556 3.987 4.147 321 1HB GLN 43 HB1 GLN 43 36.005 4.368 6.691 322 2HB GLN 43 HB2 GLN 43 35.743 2.625 6.701 323 1HG GLN 43 HG1 GLN 43 34.115 2.855 4.864 324 2HG GLN 43 HG2 GLN 43 34.395 4.597 4.827 325 1HE2 GLN 43 HE21 GLN 43 34.400 5.281 7.521 326 2HE2 GLN 43 HE22 GLN 43 32.908 4.894 8.232 327 H HIS 44 HN HIS 44 38.724 4.522 3.792 328 HA HIS 44 HA HIS 44 40.382 4.975 6.169 329 1HB HIS 44 HB1 HIS 44 42.143 3.497 4.578 330 2HB HIS 44 HB2 HIS 44 40.624 2.601 4.463 331 HD1 HIS 44 HD1 HIS 44 43.078 3.912 7.024 332 HD2 HIS 44 HD2 HIS 44 39.870 1.261 6.807 333 HE1 HIS 44 HE1 HIS 44 42.980 2.730 9.256 334 H SER 45 HN SER 45 42.292 6.242 5.658 335 HA SER 45 HA SER 45 41.937 7.914 3.243 336 1HB SER 45 HB1 SER 45 42.485 9.295 4.998 337 2HB SER 45 HB2 SER 45 44.123 8.904 4.493 338 HG SER 45 HG SER 45 44.048 7.140 6.001 339 H TRP 46 HN TRP 46 43.538 8.101 1.607 340 HA TRP 46 HA TRP 46 44.851 5.795 0.709 341 1HB TRP 46 HB1 TRP 46 44.307 8.054 -0.420 342 2HB TRP 46 HB2 TRP 46 45.795 7.255 -0.912 343 HD1 TRP 46 HD1 TRP 46 44.526 10.452 0.526 344 HE1 TRP 46 HE1 TRP 46 46.516 11.983 1.127 345 HE3 TRP 46 HE3 TRP 46 48.350 7.112 0.090 346 HZ2 TRP 46 HZ2 TRP 46 49.369 11.802 1.388 347 HZ3 TRP 46 HZ3 TRP 46 50.693 7.806 0.518 348 HH2 TRP 46 HH2 TRP 46 51.206 10.142 1.168 349 H GLN 47 HN GLN 47 46.093 8.297 2.887 350 HA GLN 47 HA GLN 47 48.844 7.520 2.936 351 1HB GLN 47 HB1 GLN 47 47.642 8.510 5.450 352 2HB GLN 47 HB2 GLN 47 47.242 9.472 4.027 353 1HG GLN 47 HG1 GLN 47 49.847 9.214 3.553 354 2HG GLN 47 HG2 GLN 47 49.906 8.972 5.299 355 1HE2 GLN 47 HE21 GLN 47 49.781 10.842 6.596 356 2HE2 GLN 47 HE22 GLN 47 49.402 12.389 6.009 357 H SER 48 HN SER 48 46.252 6.729 5.299 358 HA SER 48 HA SER 48 47.700 4.915 6.911 359 1HB SER 48 HB1 SER 48 44.800 4.555 6.139 360 2HB SER 48 HB2 SER 48 45.319 5.931 7.108 361 HG SER 48 HG SER 48 45.715 4.677 8.757 362 H LEU 49 HN LEU 49 46.396 4.467 3.688 363 HA LEU 49 HA LEU 49 46.552 1.533 3.755 364 1HB LEU 49 HB1 LEU 49 45.893 1.794 1.384 365 2HB LEU 49 HB2 LEU 49 46.197 3.527 1.487 366 HG LEU 49 HG LEU 49 44.474 3.675 3.281 367 1HD1 LEU 49 HD11 LEU 49 44.040 3.914 0.739 368 2HD1 LEU 49 HD12 LEU 49 42.642 3.693 1.790 369 3HD1 LEU 49 HD13 LEU 49 43.272 2.331 0.864 370 1HD2 LEU 49 HD21 LEU 49 44.585 1.367 4.094 371 2HD2 LEU 49 HD22 LEU 49 44.025 0.769 2.533 372 3HD2 LEU 49 HD23 LEU 49 42.944 1.720 3.552 373 H LYS 50 HN LYS 50 48.480 4.243 2.496 374 HA LYS 50 HA LYS 50 50.466 2.500 1.220 375 1HB LYS 50 HB1 LYS 50 51.080 5.334 1.847 376 2HB LYS 50 HB2 LYS 50 49.614 5.074 0.902 377 1HG LYS 50 HG1 LYS 50 51.204 5.183 -0.793 378 2HG LYS 50 HG2 LYS 50 51.184 3.448 -0.482 379 1HD LYS 50 HD1 LYS 50 53.183 3.546 0.790 380 2HD LYS 50 HD2 LYS 50 53.070 5.295 0.984 381 1HE LYS 50 HE1 LYS 50 54.725 5.022 -0.702 382 2HE LYS 50 HE2 LYS 50 53.249 5.344 -1.633 383 1HZ LYS 50 HZ1 LYS 50 54.499 3.325 -2.360 384 2HZ LYS 50 HZ2 LYS 50 52.896 3.008 -1.897 385 3HZ LYS 50 HZ3 LYS 50 54.177 2.628 -0.848 386 H ASP 51 HN ASP 51 50.109 4.255 4.267 387 HA ASP 51 HA ASP 51 52.835 4.000 5.177 388 1HB ASP 51 HB1 ASP 51 50.320 4.131 6.861 389 2HB ASP 51 HB2 ASP 51 50.951 5.531 5.992 390 H ARG 52 HN ARG 52 49.903 2.026 5.736 391 HA ARG 52 HA ARG 52 51.183 0.093 7.457 392 1HB ARG 52 HB1 ARG 52 48.945 -0.922 5.884 393 2HB ARG 52 HB2 ARG 52 48.616 0.703 6.484 394 1HG ARG 52 HG1 ARG 52 47.879 -0.888 8.160 395 2HG ARG 52 HG2 ARG 52 49.320 -0.074 8.769 396 1HD ARG 52 HD1 ARG 52 50.058 -2.216 9.164 397 2HD ARG 52 HD2 ARG 52 50.421 -2.224 7.426 398 HE ARG 52 HE ARG 52 47.948 -3.027 7.208 399 1HH1 ARG 52 HH11 ARG 52 49.208 -5.466 7.498 400 2HH1 ARG 52 HH12 ARG 52 48.732 -6.096 9.040 401 1HH2 ARG 52 HH21 ARG 52 47.658 -3.034 10.259 402 2HH2 ARG 52 HH22 ARG 52 47.856 -4.720 10.602 403 H TYR 53 HN TYR 53 50.637 0.263 3.948 404 HA TYR 53 HA TYR 53 51.486 -2.360 3.235 405 1HB TYR 53 HB1 TYR 53 52.128 0.067 1.581 406 2HB TYR 53 HB2 TYR 53 50.442 -0.327 1.910 407 HD1 TYR 53 HD1 TYR 53 53.041 -0.811 -0.360 408 HD2 TYR 53 HD2 TYR 53 49.931 -2.984 1.653 409 HE1 TYR 53 HE1 TYR 53 53.112 -2.547 -2.127 410 HE2 TYR 53 HE2 TYR 53 50.000 -4.721 -0.115 411 HH TYR 53 HH TYR 53 51.714 -4.270 -3.066 412 H LEU 54 HN LEU 54 53.308 0.569 3.990 413 HA LEU 54 HA LEU 54 55.893 -0.685 3.273 414 1HB LEU 54 HB1 LEU 54 56.597 1.663 4.250 415 2HB LEU 54 HB2 LEU 54 54.872 2.009 4.124 416 HG LEU 54 HG LEU 54 55.002 1.227 1.713 417 1HD1 LEU 54 HD11 LEU 54 55.397 3.685 2.783 418 2HD1 LEU 54 HD12 LEU 54 55.396 3.382 1.046 419 3HD1 LEU 54 HD13 LEU 54 56.923 3.484 1.923 420 1HD2 LEU 54 HD21 LEU 54 57.919 1.755 1.684 421 2HD2 LEU 54 HD22 LEU 54 56.979 0.575 0.772 422 3HD2 LEU 54 HD23 LEU 54 57.445 0.232 2.436 423 H LYS 55 HN LYS 55 53.933 -0.002 6.103 424 HA LYS 55 HA LYS 55 55.886 -0.050 8.162 425 1HB LYS 55 HB1 LYS 55 53.739 -1.199 9.332 426 2HB LYS 55 HB2 LYS 55 52.980 -0.616 7.852 427 1HG LYS 55 HG1 LYS 55 53.845 1.651 8.302 428 2HG LYS 55 HG2 LYS 55 54.626 1.066 9.771 429 1HD LYS 55 HD1 LYS 55 51.654 0.764 9.306 430 2HD LYS 55 HD2 LYS 55 52.340 2.205 10.055 431 1HE LYS 55 HE1 LYS 55 52.853 1.090 12.007 432 2HE LYS 55 HE2 LYS 55 53.243 -0.419 11.157 433 1HZ LYS 55 HZ1 LYS 55 50.520 0.736 11.511 434 2HZ LYS 55 HZ2 LYS 55 51.141 -0.594 12.369 435 3HZ LYS 55 HZ3 LYS 55 50.881 -0.705 10.694 436 H HIS 56 HN HIS 56 54.043 -2.786 6.745 437 HA HIS 56 HA HIS 56 56.275 -4.605 7.155 438 1HB HIS 56 HB1 HIS 56 55.521 -4.383 9.456 439 2HB HIS 56 HB2 HIS 56 55.108 -5.986 8.871 440 HD1 HIS 56 HD1 HIS 56 53.414 -5.527 11.063 441 HD2 HIS 56 HD2 HIS 56 52.479 -3.723 7.426 442 HE1 HIS 56 HE1 HIS 56 50.952 -4.956 11.155 443 H LEU 57 HN LEU 57 54.849 -4.101 4.826 444 HA LEU 57 HA LEU 57 53.425 -6.709 4.416 445 1HB LEU 57 HB1 LEU 57 51.915 -5.391 2.863 446 2HB LEU 57 HB2 LEU 57 52.660 -3.928 3.499 447 HG LEU 57 HG LEU 57 52.010 -4.685 5.799 448 1HD1 LEU 57 HD11 LEU 57 50.501 -3.094 5.106 449 2HD1 LEU 57 HD12 LEU 57 49.404 -4.474 5.157 450 3HD1 LEU 57 HD13 LEU 57 50.109 -3.965 3.623 451 1HD2 LEU 57 HD21 LEU 57 50.807 -6.890 4.151 452 2HD2 LEU 57 HD22 LEU 57 50.032 -6.410 5.661 453 3HD2 LEU 57 HD23 LEU 57 51.695 -6.998 5.671 454 H ARG 58 HN ARG 58 54.770 -3.889 2.652 455 HA ARG 58 HA ARG 58 55.886 -5.792 0.616 456 1HB ARG 58 HB1 ARG 58 55.357 -2.839 0.262 457 2HB ARG 58 HB2 ARG 58 54.064 -4.025 0.081 458 1HG ARG 58 HG1 ARG 58 56.562 -4.683 -1.364 459 2HG ARG 58 HG2 ARG 58 55.730 -3.241 -1.946 460 1HD ARG 58 HD1 ARG 58 53.819 -4.445 -2.572 461 2HD ARG 58 HD2 ARG 58 54.153 -5.758 -1.425 462 HE ARG 58 HE ARG 58 55.679 -5.275 -3.962 463 1HH1 ARG 58 HH11 ARG 58 55.927 -6.950 -1.071 464 2HH1 ARG 58 HH12 ARG 58 56.108 -8.517 -1.786 465 1HH2 ARG 58 HH21 ARG 58 55.392 -7.428 -4.998 466 2HH2 ARG 58 HH22 ARG 58 55.808 -8.787 -4.008 467 H GLY 59 HN GLY 59 57.924 -6.098 1.694 468 1HA GLY 59 HA1 GLY 59 59.528 -3.906 2.677 469 2HA GLY 59 HA2 GLY 59 60.033 -4.372 1.052 Start of MODEL 20 1 1H GLY 1 HT1 GLY 1 47.380 6.408 18.114 2 2H GLY 1 HT2 GLY 1 46.141 6.851 17.039 3 3H GLY 1 HT3 GLY 1 47.366 7.961 17.432 4 1HA GLY 1 HA1 GLY 1 48.049 5.387 16.172 5 2HA GLY 1 HA2 GLY 1 48.955 6.902 16.167 6 H ARG 2 HN ARG 2 47.729 5.095 13.983 7 HA ARG 2 HA ARG 2 46.372 7.309 12.476 8 1HB ARG 2 HB1 ARG 2 47.320 5.718 10.549 9 2HB ARG 2 HB2 ARG 2 48.408 5.208 11.841 10 1HG ARG 2 HG1 ARG 2 49.442 7.051 10.641 11 2HG ARG 2 HG2 ARG 2 48.967 7.622 12.240 12 1HD ARG 2 HD1 ARG 2 46.789 7.959 10.324 13 2HD ARG 2 HD2 ARG 2 48.260 8.792 9.786 14 HE ARG 2 HE ARG 2 47.228 9.119 12.583 15 1HH1 ARG 2 HH11 ARG 2 49.417 10.727 12.587 16 2HH1 ARG 2 HH12 ARG 2 48.996 12.200 11.779 17 1HH2 ARG 2 HH21 ARG 2 46.199 10.857 10.227 18 2HH2 ARG 2 HH22 ARG 2 47.170 12.274 10.443 19 H ILE 3 HN ILE 3 44.361 6.382 13.564 20 HA ILE 3 HA ILE 3 42.446 5.028 13.590 21 HB ILE 3 HB ILE 3 42.625 6.305 11.354 22 1HG1 ILE 3 HG11 ILE 3 40.658 4.813 12.460 23 2HG1 ILE 3 HG12 ILE 3 40.842 3.981 10.917 24 1HG2 ILE 3 HG21 ILE 3 42.492 4.603 9.390 25 2HG2 ILE 3 HG22 ILE 3 43.404 3.540 10.454 26 3HG2 ILE 3 HG23 ILE 3 44.075 5.098 9.978 27 1HD1 ILE 3 HD11 ILE 3 39.273 6.159 11.224 28 2HD1 ILE 3 HD12 ILE 3 40.089 5.778 9.707 29 3HD1 ILE 3 HD13 ILE 3 40.794 6.953 10.818 30 H ALA 4 HN ALA 4 41.576 2.756 12.453 31 HA ALA 4 HA ALA 4 43.781 0.762 12.838 32 1HB ALA 4 HB1 ALA 4 41.606 -0.517 13.802 33 2HB ALA 4 HB2 ALA 4 41.130 1.147 14.140 34 3HB ALA 4 HB3 ALA 4 42.628 0.504 14.813 35 H PHE 5 HN PHE 5 43.435 -1.274 11.711 36 HA PHE 5 HA PHE 5 41.558 -1.045 9.380 37 1HB PHE 5 HB1 PHE 5 43.328 -2.678 8.399 38 2HB PHE 5 HB2 PHE 5 44.329 -2.179 9.763 39 HD1 PHE 5 HD1 PHE 5 42.526 -0.979 6.746 40 HD2 PHE 5 HD2 PHE 5 45.338 -0.010 9.842 41 HE1 PHE 5 HE1 PHE 5 43.149 1.091 5.530 42 HE2 PHE 5 HE2 PHE 5 45.961 2.060 8.629 43 HZ PHE 5 HZ PHE 5 44.867 2.610 6.473 44 H THR 6 HN THR 6 40.323 -2.887 8.858 45 HA THR 6 HA THR 6 40.088 -4.929 11.008 46 HB THR 6 HB THR 6 37.959 -5.419 9.690 47 HG1 THR 6 HG1 THR 6 37.778 -4.486 7.837 48 1HG2 THR 6 HG21 THR 6 38.584 -2.728 10.889 49 2HG2 THR 6 HG22 THR 6 37.670 -4.062 11.592 50 3HG2 THR 6 HG23 THR 6 36.966 -3.100 10.292 51 H ASP 7 HN ASP 7 39.600 -7.210 10.175 52 HA ASP 7 HA ASP 7 41.787 -8.224 8.630 53 1HB ASP 7 HB1 ASP 7 40.151 -10.278 8.602 54 2HB ASP 7 HB2 ASP 7 39.140 -9.260 9.627 55 H ALA 8 HN ALA 8 38.491 -7.289 7.750 56 HA ALA 8 HA ALA 8 38.600 -8.398 5.053 57 1HB ALA 8 HB1 ALA 8 36.397 -8.112 5.511 58 2HB ALA 8 HB2 ALA 8 36.639 -6.398 5.180 59 3HB ALA 8 HB3 ALA 8 36.753 -7.001 6.833 60 H ASP 9 HN ASP 9 39.284 -5.260 6.539 61 HA ASP 9 HA ASP 9 39.523 -3.783 4.049 62 1HB ASP 9 HB1 ASP 9 40.837 -2.259 5.769 63 2HB ASP 9 HB2 ASP 9 40.197 -3.403 6.949 64 H ASP 10 HN ASP 10 41.806 -5.490 6.175 65 HA ASP 10 HA ASP 10 44.233 -4.612 4.918 66 1HB ASP 10 HB1 ASP 10 45.099 -6.748 6.011 67 2HB ASP 10 HB2 ASP 10 43.429 -7.097 6.464 68 H VAL 11 HN VAL 11 42.199 -7.505 4.350 69 HA VAL 11 HA VAL 11 43.859 -8.544 2.207 70 HB VAL 11 HB VAL 11 40.954 -9.017 2.973 71 1HG1 VAL 11 HG11 VAL 11 41.278 -11.190 1.797 72 2HG1 VAL 11 HG12 VAL 11 42.870 -10.641 1.269 73 3HG1 VAL 11 HG13 VAL 11 41.419 -9.813 0.703 74 1HG2 VAL 11 HG21 VAL 11 43.526 -10.438 3.734 75 2HG2 VAL 11 HG22 VAL 11 41.907 -11.015 4.131 76 3HG2 VAL 11 HG23 VAL 11 42.495 -9.499 4.813 77 H ALA 12 HN ALA 12 40.933 -6.518 2.336 78 HA ALA 12 HA ALA 12 40.380 -6.437 -0.472 79 1HB ALA 12 HB1 ALA 12 39.818 -4.717 1.930 80 2HB ALA 12 HB2 ALA 12 38.689 -5.645 0.943 81 3HB ALA 12 HB3 ALA 12 39.366 -4.138 0.328 82 H ILE 13 HN ILE 13 42.347 -4.293 1.606 83 HA ILE 13 HA ILE 13 43.155 -2.486 -0.490 84 HB ILE 13 HB ILE 13 44.384 -3.255 2.188 85 1HG1 ILE 13 HG11 ILE 13 42.010 -2.284 2.064 86 2HG1 ILE 13 HG12 ILE 13 42.758 -0.806 1.464 87 1HG2 ILE 13 HG21 ILE 13 45.655 -1.831 0.185 88 2HG2 ILE 13 HG22 ILE 13 45.996 -1.670 1.906 89 3HG2 ILE 13 HG23 ILE 13 44.887 -0.549 1.118 90 1HD1 ILE 13 HD11 ILE 13 44.179 -0.721 3.495 91 2HD1 ILE 13 HD12 ILE 13 43.380 -2.170 4.101 92 3HD1 ILE 13 HD13 ILE 13 42.463 -0.677 3.900 93 H LEU 14 HN LEU 14 44.581 -5.466 0.842 94 HA LEU 14 HA LEU 14 47.051 -5.390 -0.611 95 1HB LEU 14 HB1 LEU 14 45.337 -7.645 0.484 96 2HB LEU 14 HB2 LEU 14 46.680 -6.848 1.298 97 HG LEU 14 HG LEU 14 46.891 -8.503 -1.236 98 1HD1 LEU 14 HD11 LEU 14 49.376 -8.307 -0.686 99 2HD1 LEU 14 HD12 LEU 14 48.933 -7.039 0.459 100 3HD1 LEU 14 HD13 LEU 14 48.608 -6.828 -1.263 101 1HD2 LEU 14 HD21 LEU 14 47.602 -10.282 0.064 102 2HD2 LEU 14 HD22 LEU 14 46.472 -9.535 1.195 103 3HD2 LEU 14 HD23 LEU 14 48.204 -9.236 1.350 104 H THR 15 HN THR 15 44.081 -7.276 -1.331 105 HA THR 15 HA THR 15 44.800 -8.270 -3.865 106 HB THR 15 HB THR 15 42.018 -7.299 -3.231 107 HG1 THR 15 HG1 THR 15 42.118 -8.336 -1.427 108 1HG2 THR 15 HG21 THR 15 43.300 -9.334 -4.925 109 2HG2 THR 15 HG22 THR 15 41.711 -8.581 -5.075 110 3HG2 THR 15 HG23 THR 15 41.938 -9.949 -3.986 111 H TYR 16 HN TYR 16 43.181 -5.159 -3.108 112 HA TYR 16 HA TYR 16 42.861 -4.235 -5.798 113 1HB TYR 16 HB1 TYR 16 43.329 -2.743 -3.189 114 2HB TYR 16 HB2 TYR 16 41.765 -3.251 -3.822 115 HD1 TYR 16 HD1 TYR 16 40.607 -1.940 -5.447 116 HD2 TYR 16 HD2 TYR 16 44.703 -1.065 -4.493 117 HE1 TYR 16 HE1 TYR 16 40.461 0.166 -6.749 118 HE2 TYR 16 HE2 TYR 16 44.557 1.041 -5.795 119 HH TYR 16 HH TYR 16 42.371 1.680 -8.013 120 H VAL 17 HN VAL 17 45.422 -3.434 -3.421 121 HA VAL 17 HA VAL 17 47.117 -1.974 -5.194 122 HB VAL 17 HB VAL 17 47.719 -3.682 -2.750 123 1HG1 VAL 17 HG11 VAL 17 49.342 -1.335 -3.732 124 2HG1 VAL 17 HG12 VAL 17 49.694 -2.977 -4.266 125 3HG1 VAL 17 HG13 VAL 17 49.795 -2.568 -2.555 126 1HG2 VAL 17 HG21 VAL 17 47.230 -1.804 -1.453 127 2HG2 VAL 17 HG22 VAL 17 46.030 -1.657 -2.736 128 3HG2 VAL 17 HG23 VAL 17 47.500 -0.687 -2.789 129 H LYS 18 HN LYS 18 47.236 -5.421 -4.229 130 HA LYS 18 HA LYS 18 49.420 -6.230 -5.859 131 1HB LYS 18 HB1 LYS 18 46.922 -7.772 -5.084 132 2HB LYS 18 HB2 LYS 18 48.307 -7.513 -4.023 133 1HG LYS 18 HG1 LYS 18 49.562 -9.088 -5.085 134 2HG LYS 18 HG2 LYS 18 49.011 -8.585 -6.682 135 1HD LYS 18 HD1 LYS 18 47.199 -10.018 -6.655 136 2HD LYS 18 HD2 LYS 18 47.037 -9.951 -4.901 137 1HE LYS 18 HE1 LYS 18 47.918 -12.104 -5.175 138 2HE LYS 18 HE2 LYS 18 49.418 -11.171 -5.000 139 1HZ LYS 18 HZ1 LYS 18 48.046 -11.929 -7.533 140 2HZ LYS 18 HZ2 LYS 18 49.558 -12.485 -6.992 141 3HZ LYS 18 HZ3 LYS 18 49.362 -10.862 -7.452 142 H GLU 19 HN GLU 19 46.110 -5.467 -6.709 143 HA GLU 19 HA GLU 19 46.179 -6.853 -9.299 144 1HB GLU 19 HB1 GLU 19 44.001 -5.352 -9.447 145 2HB GLU 19 HB2 GLU 19 44.303 -5.110 -7.726 146 1HG GLU 19 HG1 GLU 19 42.992 -7.025 -7.649 147 2HG GLU 19 HG2 GLU 19 44.597 -7.749 -7.756 148 H ASN 20 HN ASN 20 46.081 -3.421 -8.238 149 HA ASN 20 HA ASN 20 46.736 -2.494 -10.968 150 1HB ASN 20 HB1 ASN 20 46.365 -0.297 -10.020 151 2HB ASN 20 HB2 ASN 20 46.493 -0.930 -8.383 152 1HD2 ASN 20 HD21 ASN 20 44.285 0.074 -8.114 153 2HD2 ASN 20 HD22 ASN 20 42.925 -0.810 -8.612 154 H ALA 21 HN ALA 21 48.151 -1.989 -7.711 155 HA ALA 21 HA ALA 21 50.549 -0.742 -8.409 156 1HB ALA 21 HB1 ALA 21 50.792 -2.808 -6.319 157 2HB ALA 21 HB2 ALA 21 49.372 -1.777 -6.151 158 3HB ALA 21 HB3 ALA 21 50.981 -1.058 -6.200 159 H ARG 22 HN ARG 22 51.831 -1.421 -10.064 160 HA ARG 22 HA ARG 22 53.079 -4.118 -9.869 161 1HB ARG 22 HB1 ARG 22 52.655 -3.890 -12.557 162 2HB ARG 22 HB2 ARG 22 51.219 -3.077 -11.935 163 1HG ARG 22 HG1 ARG 22 50.682 -5.421 -12.157 164 2HG ARG 22 HG2 ARG 22 50.855 -5.084 -10.434 165 1HD ARG 22 HD1 ARG 22 53.080 -6.042 -10.405 166 2HD ARG 22 HD2 ARG 22 53.098 -6.172 -12.174 167 HE ARG 22 HE ARG 22 51.417 -7.931 -12.000 168 1HH1 ARG 22 HH11 ARG 22 49.901 -7.114 -9.616 169 2HH1 ARG 22 HH12 ARG 22 50.453 -8.216 -8.401 170 1HH2 ARG 22 HH21 ARG 22 53.282 -9.163 -10.164 171 2HH2 ARG 22 HH22 ARG 22 52.366 -9.376 -8.710 172 H SER 23 HN SER 23 52.936 -1.039 -11.671 173 HA SER 23 HA SER 23 55.731 -1.180 -12.519 174 1HB SER 23 HB1 SER 23 53.661 -0.049 -13.616 175 2HB SER 23 HB2 SER 23 55.185 0.832 -13.651 176 HG SER 23 HG SER 23 53.230 1.158 -11.631 177 HA PRO 24 HA PRO 24 57.487 0.794 -8.983 178 1HB PRO 24 HB1 PRO 24 59.572 0.516 -9.955 179 2HB PRO 24 HB2 PRO 24 59.501 2.284 -10.082 180 1HG PRO 24 HG1 PRO 24 59.841 0.697 -12.222 181 2HG PRO 24 HG2 PRO 24 58.945 2.220 -12.308 182 1HD PRO 24 HD1 PRO 24 57.952 -0.568 -12.383 183 2HD PRO 24 HD2 PRO 24 57.241 0.909 -13.067 184 H SER 25 HN SER 25 55.290 2.098 -9.051 185 HA SER 25 HA SER 25 55.913 4.925 -8.694 186 1HB SER 25 HB1 SER 25 55.823 4.676 -11.168 187 2HB SER 25 HB2 SER 25 54.540 5.725 -10.569 188 HG SER 25 HG SER 25 53.684 4.227 -12.010 189 H SER 26 HN SER 26 53.226 2.644 -9.386 190 HA SER 26 HA SER 26 51.142 4.029 -8.066 191 1HB SER 26 HB1 SER 26 50.237 1.631 -7.815 192 2HB SER 26 HB2 SER 26 51.753 1.105 -8.541 193 HG SER 26 HG SER 26 50.378 1.392 -10.218 194 H VAL 27 HN VAL 27 53.715 1.998 -6.725 195 HA VAL 27 HA VAL 27 52.500 2.165 -4.010 196 HB VAL 27 HB VAL 27 54.284 0.525 -3.462 197 1HG1 VAL 27 HG11 VAL 27 53.440 -1.293 -4.862 198 2HG1 VAL 27 HG12 VAL 27 52.819 -0.132 -6.035 199 3HG1 VAL 27 HG13 VAL 27 52.112 -0.218 -4.422 200 1HG2 VAL 27 HG21 VAL 27 55.905 -0.173 -5.034 201 2HG2 VAL 27 HG22 VAL 27 55.864 1.576 -5.249 202 3HG2 VAL 27 HG23 VAL 27 55.024 0.528 -6.390 203 H THR 28 HN THR 28 54.056 4.395 -5.638 204 HA THR 28 HA THR 28 55.538 5.383 -3.275 205 HB THR 28 HB THR 28 56.899 5.216 -5.968 206 HG1 THR 28 HG1 THR 28 57.903 3.336 -5.136 207 1HG2 THR 28 HG21 THR 28 58.919 5.463 -4.592 208 2HG2 THR 28 HG22 THR 28 57.936 5.445 -3.128 209 3HG2 THR 28 HG23 THR 28 57.792 6.781 -4.271 210 H GLY 29 HN GLY 29 53.173 6.122 -5.124 211 1HA GLY 29 HA1 GLY 29 53.150 8.089 -6.830 212 2HA GLY 29 HA2 GLY 29 54.040 8.941 -5.570 213 H ASN 30 HN ASN 30 52.106 7.090 -3.749 214 HA ASN 30 HA ASN 30 50.081 7.428 -2.598 215 1HB ASN 30 HB1 ASN 30 49.602 9.838 -2.199 216 2HB ASN 30 HB2 ASN 30 50.750 10.256 -3.467 217 1HD2 ASN 30 HD21 ASN 30 51.939 11.407 -1.644 218 2HD2 ASN 30 HD22 ASN 30 52.972 10.495 -0.652 219 H ALA 31 HN ALA 31 50.059 7.166 -5.731 220 HA ALA 31 HA ALA 31 47.542 8.596 -6.370 221 1HB ALA 31 HB1 ALA 31 48.727 8.665 -8.306 222 2HB ALA 31 HB2 ALA 31 48.292 6.968 -8.514 223 3HB ALA 31 HB3 ALA 31 49.827 7.400 -7.760 224 H LEU 32 HN LEU 32 48.688 5.201 -6.735 225 HA LEU 32 HA LEU 32 46.175 3.988 -7.166 226 1HB LEU 32 HB1 LEU 32 48.136 2.529 -5.484 227 2HB LEU 32 HB2 LEU 32 48.781 3.190 -6.987 228 HG LEU 32 HG LEU 32 46.166 1.900 -7.351 229 1HD1 LEU 32 HD11 LEU 32 47.068 1.460 -9.383 230 2HD1 LEU 32 HD12 LEU 32 48.535 0.775 -8.685 231 3HD1 LEU 32 HD13 LEU 32 48.384 2.521 -8.880 232 1HD2 LEU 32 HD21 LEU 32 46.538 -0.197 -6.541 233 2HD2 LEU 32 HD22 LEU 32 47.677 0.603 -5.462 234 3HD2 LEU 32 HD23 LEU 32 48.253 -0.156 -6.946 235 H TRP 33 HN TRP 33 47.657 5.088 -4.174 236 HA TRP 33 HA TRP 33 45.728 3.748 -2.412 237 1HB TRP 33 HB1 TRP 33 46.946 4.889 -0.667 238 2HB TRP 33 HB2 TRP 33 47.559 6.097 -1.795 239 HD1 TRP 33 HD1 TRP 33 49.709 5.554 -3.120 240 HE1 TRP 33 HE1 TRP 33 51.346 3.565 -3.161 241 HE3 TRP 33 HE3 TRP 33 47.060 2.173 -0.364 242 HZ2 TRP 33 HZ2 TRP 33 51.507 0.893 -2.163 243 HZ3 TRP 33 HZ3 TRP 33 47.975 -0.085 0.075 244 HH2 TRP 33 HH2 TRP 33 50.197 -0.729 -0.822 245 H LYS 34 HN LYS 34 46.339 7.067 -3.547 246 HA LYS 34 HA LYS 34 44.155 8.383 -2.282 247 1HB LYS 34 HB1 LYS 34 44.485 9.799 -4.543 248 2HB LYS 34 HB2 LYS 34 45.923 8.787 -4.659 249 1HG LYS 34 HG1 LYS 34 46.663 9.515 -2.458 250 2HG LYS 34 HG2 LYS 34 45.170 10.413 -2.223 251 1HD LYS 34 HD1 LYS 34 45.830 11.683 -4.381 252 2HD LYS 34 HD2 LYS 34 47.438 11.009 -4.114 253 1HE LYS 34 HE1 LYS 34 47.704 12.170 -2.061 254 2HE LYS 34 HE2 LYS 34 45.960 12.468 -1.908 255 1HZ LYS 34 HZ1 LYS 34 46.110 13.779 -3.983 256 2HZ LYS 34 HZ2 LYS 34 47.796 13.576 -3.974 257 3HZ LYS 34 HZ3 LYS 34 47.037 14.448 -2.729 258 H ALA 35 HN ALA 35 44.373 6.886 -5.524 259 HA ALA 35 HA ALA 35 41.695 7.434 -6.364 260 1HB ALA 35 HB1 ALA 35 42.306 6.134 -8.181 261 2HB ALA 35 HB2 ALA 35 43.099 4.921 -7.176 262 3HB ALA 35 HB3 ALA 35 43.905 6.453 -7.512 263 H MET 36 HN MET 36 43.065 4.827 -4.395 264 HA MET 36 HA MET 36 40.804 3.054 -4.442 265 1HB MET 36 HB1 MET 36 42.982 3.570 -2.386 266 2HB MET 36 HB2 MET 36 43.040 2.396 -3.698 267 1HG MET 36 HG1 MET 36 40.669 1.779 -2.340 268 2HG MET 36 HG2 MET 36 41.803 2.174 -1.053 269 1HE MET 36 HE1 MET 36 44.897 0.322 -2.367 270 2HE MET 36 HE2 MET 36 44.315 0.301 -0.705 271 3HE MET 36 HE3 MET 36 44.222 1.789 -1.644 272 H GLU 37 HN GLU 37 41.810 5.410 -1.932 273 HA GLU 37 HA GLU 37 39.512 5.211 -0.274 274 1HB GLU 37 HB1 GLU 37 40.881 7.840 -0.686 275 2HB GLU 37 HB2 GLU 37 41.869 6.475 -0.167 276 1HG GLU 37 HG1 GLU 37 41.185 6.971 1.936 277 2HG GLU 37 HG2 GLU 37 39.627 6.289 1.470 278 H LYS 38 HN LYS 38 39.967 6.879 -3.327 279 HA LYS 38 HA LYS 38 37.431 8.398 -3.017 280 1HB LYS 38 HB1 LYS 38 38.223 9.391 -5.186 281 2HB LYS 38 HB2 LYS 38 39.617 8.312 -5.117 282 1HG LYS 38 HG1 LYS 38 40.284 10.447 -4.189 283 2HG LYS 38 HG2 LYS 38 40.160 9.296 -2.857 284 1HD LYS 38 HD1 LYS 38 38.121 10.214 -2.103 285 2HD LYS 38 HD2 LYS 38 37.810 11.014 -3.643 286 1HE LYS 38 HE1 LYS 38 40.306 12.016 -2.667 287 2HE LYS 38 HE2 LYS 38 39.144 12.079 -1.328 288 1HZ LYS 38 HZ1 LYS 38 38.769 13.125 -4.090 289 2HZ LYS 38 HZ2 LYS 38 38.884 14.042 -2.665 290 3HZ LYS 38 HZ3 LYS 38 37.533 13.047 -2.931 291 H SER 39 HN SER 39 38.660 5.505 -4.534 292 HA SER 39 HA SER 39 36.445 5.347 -6.488 293 1HB SER 39 HB1 SER 39 37.683 3.106 -6.906 294 2HB SER 39 HB2 SER 39 38.889 3.723 -5.780 295 HG SER 39 HG SER 39 38.253 4.578 -8.336 296 H SER 40 HN SER 40 37.703 2.808 -4.309 297 HA SER 40 HA SER 40 34.984 2.442 -3.143 298 1HB SER 40 HB1 SER 40 36.447 0.058 -4.215 299 2HB SER 40 HB2 SER 40 35.599 1.098 -5.356 300 HG SER 40 HG SER 40 34.113 -0.363 -4.695 301 H LEU 41 HN LEU 41 35.792 2.906 -1.055 302 HA LEU 41 HA LEU 41 37.354 0.759 0.219 303 1HB LEU 41 HB1 LEU 41 38.326 3.583 0.522 304 2HB LEU 41 HB2 LEU 41 38.806 2.658 -0.901 305 HG LEU 41 HG LEU 41 39.125 1.623 1.929 306 1HD1 LEU 41 HD11 LEU 41 40.955 0.309 0.526 307 2HD1 LEU 41 HD12 LEU 41 39.892 0.714 -0.822 308 3HD1 LEU 41 HD13 LEU 41 39.274 -0.228 0.534 309 1HD2 LEU 41 HD21 LEU 41 40.656 3.346 2.030 310 2HD2 LEU 41 HD22 LEU 41 40.841 3.426 0.278 311 3HD2 LEU 41 HD23 LEU 41 41.648 2.153 1.192 312 H THR 42 HN THR 42 37.343 1.061 2.613 313 HA THR 42 HA THR 42 34.792 2.125 3.554 314 HB THR 42 HB THR 42 35.913 1.354 5.781 315 HG1 THR 42 HG1 THR 42 37.886 0.699 5.607 316 1HG2 THR 42 HG21 THR 42 35.215 -0.346 3.403 317 2HG2 THR 42 HG22 THR 42 34.299 -0.088 4.888 318 3HG2 THR 42 HG23 THR 42 35.742 -1.102 4.907 319 H GLN 43 HN GLN 43 35.264 3.258 5.962 320 HA GLN 43 HA GLN 43 36.113 5.946 5.315 321 1HB GLN 43 HB1 GLN 43 35.770 6.201 7.834 322 2HB GLN 43 HB2 GLN 43 35.418 4.472 7.869 323 1HG GLN 43 HG1 GLN 43 33.770 5.134 5.885 324 2HG GLN 43 HG2 GLN 43 33.840 6.713 6.668 325 1HE2 GLN 43 HE21 GLN 43 32.228 3.729 6.734 326 2HE2 GLN 43 HE22 GLN 43 31.566 3.838 8.293 327 H HIS 44 HN HIS 44 38.341 5.564 4.580 328 HA HIS 44 HA HIS 44 40.254 5.541 6.857 329 1HB HIS 44 HB1 HIS 44 41.513 3.951 4.966 330 2HB HIS 44 HB2 HIS 44 39.825 3.447 4.827 331 HD1 HIS 44 HD1 HIS 44 42.652 3.673 7.304 332 HD2 HIS 44 HD2 HIS 44 38.810 2.075 7.084 333 HE1 HIS 44 HE1 HIS 44 42.349 2.267 9.375 334 H SER 45 HN SER 45 42.479 6.178 6.083 335 HA SER 45 HA SER 45 42.229 8.252 3.937 336 1HB SER 45 HB1 SER 45 43.064 9.381 5.751 337 2HB SER 45 HB2 SER 45 44.596 8.751 5.165 338 HG SER 45 HG SER 45 43.004 7.820 7.279 339 H TRP 46 HN TRP 46 43.507 8.141 2.107 340 HA TRP 46 HA TRP 46 44.583 5.759 1.112 341 1HB TRP 46 HB1 TRP 46 44.067 8.013 -0.015 342 2HB TRP 46 HB2 TRP 46 45.488 7.157 -0.612 343 HD1 TRP 46 HD1 TRP 46 44.431 10.380 0.997 344 HE1 TRP 46 HE1 TRP 46 46.511 11.846 1.440 345 HE3 TRP 46 HE3 TRP 46 48.113 6.977 0.066 346 HZ2 TRP 46 HZ2 TRP 46 49.370 11.591 1.410 347 HZ3 TRP 46 HZ3 TRP 46 50.498 7.602 0.286 348 HH2 TRP 46 HH2 TRP 46 51.131 9.897 0.955 349 H GLN 47 HN GLN 47 46.124 8.123 3.217 350 HA GLN 47 HA GLN 47 48.829 7.082 2.969 351 1HB GLN 47 HB1 GLN 47 47.689 8.669 5.271 352 2HB GLN 47 HB2 GLN 47 47.937 9.408 3.690 353 1HG GLN 47 HG1 GLN 47 50.339 8.560 3.813 354 2HG GLN 47 HG2 GLN 47 50.019 8.160 5.502 355 1HE2 GLN 47 HE21 GLN 47 51.895 10.241 4.463 356 2HE2 GLN 47 HE22 GLN 47 51.360 11.716 5.113 357 H SER 48 HN SER 48 46.152 6.586 5.273 358 HA SER 48 HA SER 48 47.529 5.124 7.280 359 1HB SER 48 HB1 SER 48 44.721 4.614 6.260 360 2HB SER 48 HB2 SER 48 45.146 6.010 7.246 361 HG SER 48 HG SER 48 45.828 4.628 8.877 362 H LEU 49 HN LEU 49 45.986 3.965 4.281 363 HA LEU 49 HA LEU 49 46.872 1.199 4.792 364 1HB LEU 49 HB1 LEU 49 44.739 1.401 3.752 365 2HB LEU 49 HB2 LEU 49 45.822 0.848 2.483 366 HG LEU 49 HG LEU 49 46.013 3.612 2.287 367 1HD1 LEU 49 HD11 LEU 49 45.455 1.529 0.636 368 2HD1 LEU 49 HD12 LEU 49 45.284 3.217 0.152 369 3HD1 LEU 49 HD13 LEU 49 43.873 2.306 0.691 370 1HD2 LEU 49 HD21 LEU 49 44.042 3.648 3.917 371 2HD2 LEU 49 HD22 LEU 49 43.086 2.916 2.629 372 3HD2 LEU 49 HD23 LEU 49 43.794 4.513 2.402 373 H LYS 50 HN LYS 50 48.117 4.004 3.153 374 HA LYS 50 HA LYS 50 49.870 2.565 1.310 375 1HB LYS 50 HB1 LYS 50 50.000 5.401 2.406 376 2HB LYS 50 HB2 LYS 50 49.038 4.912 1.011 377 1HG LYS 50 HG1 LYS 50 50.908 5.507 -0.151 378 2HG LYS 50 HG2 LYS 50 51.452 3.892 0.304 379 1HD LYS 50 HD1 LYS 50 52.876 4.691 1.953 380 2HD LYS 50 HD2 LYS 50 51.913 6.146 2.224 381 1HE LYS 50 HE1 LYS 50 53.000 7.309 0.564 382 2HE LYS 50 HE2 LYS 50 53.115 5.882 -0.486 383 1HZ LYS 50 HZ1 LYS 50 55.271 6.627 0.530 384 2HZ LYS 50 HZ2 LYS 50 54.859 5.011 0.856 385 3HZ LYS 50 HZ3 LYS 50 54.641 6.203 2.047 386 H ASP 51 HN ASP 51 50.188 4.051 4.523 387 HA ASP 51 HA ASP 51 53.028 3.569 4.814 388 1HB ASP 51 HB1 ASP 51 50.994 3.825 7.035 389 2HB ASP 51 HB2 ASP 51 51.435 5.207 6.030 390 H ARG 52 HN ARG 52 50.124 1.851 6.034 391 HA ARG 52 HA ARG 52 51.415 -0.199 7.506 392 1HB ARG 52 HB1 ARG 52 49.011 -0.872 5.873 393 2HB ARG 52 HB2 ARG 52 48.868 0.510 6.960 394 1HG ARG 52 HG1 ARG 52 48.218 -1.292 8.324 395 2HG ARG 52 HG2 ARG 52 49.921 -1.092 8.735 396 1HD ARG 52 HD1 ARG 52 49.804 -3.409 8.349 397 2HD ARG 52 HD2 ARG 52 50.263 -2.826 6.738 398 HE ARG 52 HE ARG 52 47.756 -2.810 6.248 399 1HH1 ARG 52 HH11 ARG 52 47.646 -5.353 5.711 400 2HH1 ARG 52 HH12 ARG 52 47.003 -6.227 7.060 401 1HH2 ARG 52 HH21 ARG 52 47.563 -3.665 9.328 402 2HH2 ARG 52 HH22 ARG 52 46.956 -5.273 9.107 403 H TYR 53 HN TYR 53 50.742 0.042 4.025 404 HA TYR 53 HA TYR 53 51.422 -2.615 3.259 405 1HB TYR 53 HB1 TYR 53 51.716 0.044 1.819 406 2HB TYR 53 HB2 TYR 53 50.291 -0.985 1.815 407 HD1 TYR 53 HD1 TYR 53 52.743 0.005 -0.267 408 HD2 TYR 53 HD2 TYR 53 51.236 -3.661 1.386 409 HE1 TYR 53 HE1 TYR 53 53.681 -1.247 -2.186 410 HE2 TYR 53 HE2 TYR 53 52.176 -4.914 -0.533 411 HH TYR 53 HH TYR 53 52.844 -3.903 -3.239 412 H LEU 54 HN LEU 54 53.469 0.229 2.670 413 HA LEU 54 HA LEU 54 55.910 -1.205 2.336 414 1HB LEU 54 HB1 LEU 54 55.533 1.077 1.558 415 2HB LEU 54 HB2 LEU 54 56.914 1.062 2.650 416 HG LEU 54 HG LEU 54 54.186 1.586 3.792 417 1HD1 LEU 54 HD11 LEU 54 55.730 1.582 5.503 418 2HD1 LEU 54 HD12 LEU 54 55.866 3.272 5.017 419 3HD1 LEU 54 HD13 LEU 54 57.051 2.094 4.453 420 1HD2 LEU 54 HD21 LEU 54 54.130 3.136 1.989 421 2HD2 LEU 54 HD22 LEU 54 55.851 3.495 2.140 422 3HD2 LEU 54 HD23 LEU 54 54.720 4.068 3.365 423 H LYS 55 HN LYS 55 54.192 -0.440 5.256 424 HA LYS 55 HA LYS 55 56.432 -0.340 7.078 425 1HB LYS 55 HB1 LYS 55 54.299 -1.165 8.566 426 2HB LYS 55 HB2 LYS 55 53.476 -0.526 7.143 427 1HG LYS 55 HG1 LYS 55 53.731 1.293 8.710 428 2HG LYS 55 HG2 LYS 55 54.872 1.568 7.393 429 1HD LYS 55 HD1 LYS 55 56.695 1.211 8.731 430 2HD LYS 55 HD2 LYS 55 55.893 -0.056 9.660 431 1HE LYS 55 HE1 LYS 55 54.541 1.717 10.816 432 2HE LYS 55 HE2 LYS 55 55.491 2.945 9.955 433 1HZ LYS 55 HZ1 LYS 55 56.654 0.763 11.612 434 2HZ LYS 55 HZ2 LYS 55 56.405 2.347 12.173 435 3HZ LYS 55 HZ3 LYS 55 57.492 2.055 10.900 436 H HIS 56 HN HIS 56 54.215 -2.999 6.110 437 HA HIS 56 HA HIS 56 56.315 -4.970 6.733 438 1HB HIS 56 HB1 HIS 56 55.610 -5.093 8.907 439 2HB HIS 56 HB2 HIS 56 54.360 -6.119 8.228 440 HD1 HIS 56 HD1 HIS 56 54.506 -3.694 10.640 441 HD2 HIS 56 HD2 HIS 56 52.188 -3.957 7.187 442 HE1 HIS 56 HE1 HIS 56 52.523 -2.162 10.993 443 H LEU 57 HN LEU 57 54.782 -4.257 4.339 444 HA LEU 57 HA LEU 57 53.549 -6.938 3.818 445 1HB LEU 57 HB1 LEU 57 51.772 -5.762 2.547 446 2HB LEU 57 HB2 LEU 57 52.490 -4.217 2.992 447 HG LEU 57 HG LEU 57 52.159 -4.830 5.403 448 1HD1 LEU 57 HD11 LEU 57 49.483 -4.881 5.059 449 2HD1 LEU 57 HD12 LEU 57 49.974 -4.421 3.428 450 3HD1 LEU 57 HD13 LEU 57 50.447 -3.426 4.806 451 1HD2 LEU 57 HD21 LEU 57 50.189 -6.732 5.395 452 2HD2 LEU 57 HD22 LEU 57 51.887 -7.078 5.713 453 3HD2 LEU 57 HD23 LEU 57 51.228 -7.319 4.096 454 H ARG 58 HN ARG 58 54.643 -3.893 2.293 455 HA ARG 58 HA ARG 58 55.115 -4.920 -0.326 456 1HB ARG 58 HB1 ARG 58 56.548 -2.723 1.205 457 2HB ARG 58 HB2 ARG 58 55.012 -2.527 0.361 458 1HG ARG 58 HG1 ARG 58 56.023 -2.380 -1.666 459 2HG ARG 58 HG2 ARG 58 57.109 -3.724 -1.318 460 1HD ARG 58 HD1 ARG 58 58.795 -2.243 -0.979 461 2HD ARG 58 HD2 ARG 58 57.877 -1.509 0.349 462 HE ARG 58 HE ARG 58 57.768 -0.658 -2.512 463 1HH1 ARG 58 HH11 ARG 58 55.153 -0.044 -1.665 464 2HH1 ARG 58 HH12 ARG 58 55.283 1.435 -0.778 465 1HH2 ARG 58 HH21 ARG 58 58.705 1.155 -0.300 466 2HH2 ARG 58 HH22 ARG 58 57.293 2.115 -0.005 467 H GLY 59 HN GLY 59 56.414 -6.709 -0.656 468 1HA GLY 59 HA1 GLY 59 58.339 -7.904 0.838 469 2HA GLY 59 HA2 GLY 59 59.236 -6.544 0.163 Start of MODEL 21 1 1H GLY 1 HT1 GLY 1 48.928 9.406 14.948 2 2H GLY 1 HT2 GLY 1 48.927 7.993 15.890 3 3H GLY 1 HT3 GLY 1 49.072 9.514 16.633 4 1HA GLY 1 HA1 GLY 1 46.852 10.099 16.119 5 2HA GLY 1 HA2 GLY 1 46.824 8.481 16.821 6 H ARG 2 HN ARG 2 47.559 6.855 14.783 7 HA ARG 2 HA ARG 2 45.893 7.537 12.407 8 1HB ARG 2 HB1 ARG 2 47.084 5.519 11.485 9 2HB ARG 2 HB2 ARG 2 47.917 5.362 13.032 10 1HG ARG 2 HG1 ARG 2 49.189 7.271 12.690 11 2HG ARG 2 HG2 ARG 2 47.982 8.015 11.641 12 1HD ARG 2 HD1 ARG 2 49.542 7.381 10.032 13 2HD ARG 2 HD2 ARG 2 48.605 5.877 10.113 14 HE ARG 2 HE ARG 2 50.457 4.880 11.211 15 1HH1 ARG 2 HH11 ARG 2 51.120 5.946 13.582 16 2HH1 ARG 2 HH12 ARG 2 52.451 7.030 13.344 17 1HH2 ARG 2 HH21 ARG 2 51.963 7.303 9.922 18 2HH2 ARG 2 HH22 ARG 2 52.928 7.799 11.273 19 H ILE 3 HN ILE 3 44.155 6.174 11.774 20 HA ILE 3 HA ILE 3 42.719 4.822 13.890 21 HB ILE 3 HB ILE 3 41.644 5.996 12.019 22 1HG1 ILE 3 HG11 ILE 3 40.595 3.935 13.145 23 2HG1 ILE 3 HG12 ILE 3 41.050 3.048 11.690 24 1HG2 ILE 3 HG21 ILE 3 43.364 4.160 10.451 25 2HG2 ILE 3 HG22 ILE 3 42.814 5.789 10.071 26 3HG2 ILE 3 HG23 ILE 3 41.740 4.415 9.816 27 1HD1 ILE 3 HD11 ILE 3 39.477 4.106 10.401 28 2HD1 ILE 3 HD12 ILE 3 39.649 5.635 11.262 29 3HD1 ILE 3 HD13 ILE 3 38.680 4.336 11.958 30 H ALA 4 HN ALA 4 42.317 2.565 14.107 31 HA ALA 4 HA ALA 4 44.556 0.827 13.451 32 1HB ALA 4 HB1 ALA 4 41.803 0.383 14.646 33 2HB ALA 4 HB2 ALA 4 43.314 0.605 15.527 34 3HB ALA 4 HB3 ALA 4 43.053 -0.858 14.578 35 H PHE 5 HN PHE 5 43.804 -1.503 12.582 36 HA PHE 5 HA PHE 5 42.165 -1.084 10.102 37 1HB PHE 5 HB1 PHE 5 43.941 -2.953 9.343 38 2HB PHE 5 HB2 PHE 5 44.900 -2.176 10.602 39 HD1 PHE 5 HD1 PHE 5 42.892 -1.476 7.531 40 HD2 PHE 5 HD2 PHE 5 45.959 -0.099 10.204 41 HE1 PHE 5 HE1 PHE 5 43.401 0.392 5.983 42 HE2 PHE 5 HE2 PHE 5 46.470 1.770 8.655 43 HZ PHE 5 HZ PHE 5 45.191 2.016 6.545 44 H THR 6 HN THR 6 41.578 -3.372 9.171 45 HA THR 6 HA THR 6 40.967 -5.283 11.398 46 HB THR 6 HB THR 6 39.011 -4.756 9.176 47 HG1 THR 6 HG1 THR 6 39.127 -2.729 9.823 48 1HG2 THR 6 HG21 THR 6 37.723 -6.081 10.453 49 2HG2 THR 6 HG22 THR 6 37.909 -4.985 11.820 50 3HG2 THR 6 HG23 THR 6 39.072 -6.286 11.571 51 H ASP 7 HN ASP 7 40.135 -7.436 10.342 52 HA ASP 7 HA ASP 7 42.189 -8.480 8.624 53 1HB ASP 7 HB1 ASP 7 40.209 -10.312 8.472 54 2HB ASP 7 HB2 ASP 7 39.616 -9.366 9.838 55 H ALA 8 HN ALA 8 38.843 -7.420 7.985 56 HA ALA 8 HA ALA 8 38.756 -8.252 5.226 57 1HB ALA 8 HB1 ALA 8 36.673 -7.828 6.160 58 2HB ALA 8 HB2 ALA 8 36.941 -6.299 5.323 59 3HB ALA 8 HB3 ALA 8 37.248 -6.423 7.056 60 H ASP 9 HN ASP 9 39.627 -5.170 6.794 61 HA ASP 9 HA ASP 9 39.982 -3.620 4.414 62 1HB ASP 9 HB1 ASP 9 41.591 -2.373 6.079 63 2HB ASP 9 HB2 ASP 9 40.980 -3.540 7.253 64 H ASP 10 HN ASP 10 42.278 -5.603 6.291 65 HA ASP 10 HA ASP 10 44.654 -4.993 4.849 66 1HB ASP 10 HB1 ASP 10 45.042 -7.550 5.634 67 2HB ASP 10 HB2 ASP 10 43.597 -7.181 6.576 68 H VAL 11 HN VAL 11 42.451 -7.795 4.384 69 HA VAL 11 HA VAL 11 43.727 -8.856 2.066 70 HB VAL 11 HB VAL 11 40.804 -8.901 2.906 71 1HG1 VAL 11 HG11 VAL 11 41.811 -9.776 0.525 72 2HG1 VAL 11 HG12 VAL 11 40.426 -10.509 1.331 73 3HG1 VAL 11 HG13 VAL 11 42.030 -11.216 1.519 74 1HG2 VAL 11 HG21 VAL 11 42.910 -9.750 4.404 75 2HG2 VAL 11 HG22 VAL 11 42.618 -11.194 3.436 76 3HG2 VAL 11 HG23 VAL 11 41.327 -10.526 4.435 77 H ALA 12 HN ALA 12 41.459 -6.194 2.449 78 HA ALA 12 HA ALA 12 40.743 -5.989 -0.369 79 1HB ALA 12 HB1 ALA 12 39.143 -4.923 0.859 80 2HB ALA 12 HB2 ALA 12 40.241 -3.544 0.796 81 3HB ALA 12 HB3 ALA 12 40.253 -4.617 2.195 82 H ILE 13 HN ILE 13 42.881 -4.088 1.786 83 HA ILE 13 HA ILE 13 43.896 -2.324 -0.236 84 HB ILE 13 HB ILE 13 45.105 -3.323 2.371 85 1HG1 ILE 13 HG11 ILE 13 42.736 -2.056 2.118 86 2HG1 ILE 13 HG12 ILE 13 43.805 -0.654 2.099 87 1HG2 ILE 13 HG21 ILE 13 46.686 -2.157 0.764 88 2HG2 ILE 13 HG22 ILE 13 46.490 -1.350 2.319 89 3HG2 ILE 13 HG23 ILE 13 45.654 -0.733 0.895 90 1HD1 ILE 13 HD11 ILE 13 42.975 -1.421 4.400 91 2HD1 ILE 13 HD12 ILE 13 44.717 -1.202 4.233 92 3HD1 ILE 13 HD13 ILE 13 44.026 -2.823 4.194 93 H LEU 14 HN LEU 14 44.902 -5.534 0.858 94 HA LEU 14 HA LEU 14 47.418 -5.597 -0.587 95 1HB LEU 14 HB1 LEU 14 45.567 -7.721 0.545 96 2HB LEU 14 HB2 LEU 14 46.965 -7.007 1.346 97 HG LEU 14 HG LEU 14 47.074 -8.657 -1.197 98 1HD1 LEU 14 HD11 LEU 14 49.283 -7.625 0.613 99 2HD1 LEU 14 HD12 LEU 14 48.862 -6.934 -0.954 100 3HD1 LEU 14 HD13 LEU 14 49.500 -8.576 -0.857 101 1HD2 LEU 14 HD21 LEU 14 46.535 -10.140 0.601 102 2HD2 LEU 14 HD22 LEU 14 47.629 -9.310 1.707 103 3HD2 LEU 14 HD23 LEU 14 48.280 -10.274 0.382 104 H THR 15 HN THR 15 44.329 -7.326 -1.212 105 HA THR 15 HA THR 15 44.946 -8.278 -3.809 106 HB THR 15 HB THR 15 42.272 -7.382 -2.681 107 HG1 THR 15 HG1 THR 15 43.608 -9.881 -2.547 108 1HG2 THR 15 HG21 THR 15 41.927 -7.859 -4.965 109 2HG2 THR 15 HG22 THR 15 41.537 -9.378 -4.159 110 3HG2 THR 15 HG23 THR 15 43.097 -9.179 -4.956 111 H TYR 16 HN TYR 16 43.558 -5.161 -2.801 112 HA TYR 16 HA TYR 16 42.985 -4.149 -5.441 113 1HB TYR 16 HB1 TYR 16 43.659 -2.738 -2.834 114 2HB TYR 16 HB2 TYR 16 42.052 -3.285 -3.309 115 HD1 TYR 16 HD1 TYR 16 44.837 -0.996 -4.254 116 HD2 TYR 16 HD2 TYR 16 40.686 -1.980 -4.755 117 HE1 TYR 16 HE1 TYR 16 44.485 1.128 -5.484 118 HE2 TYR 16 HE2 TYR 16 40.332 0.144 -5.988 119 HH TYR 16 HH TYR 16 41.910 1.737 -7.393 120 H VAL 17 HN VAL 17 45.701 -3.506 -3.209 121 HA VAL 17 HA VAL 17 47.263 -1.935 -5.031 122 HB VAL 17 HB VAL 17 47.913 -3.619 -2.590 123 1HG1 VAL 17 HG11 VAL 17 50.019 -3.369 -3.658 124 2HG1 VAL 17 HG12 VAL 17 49.956 -2.056 -2.483 125 3HG1 VAL 17 HG13 VAL 17 49.646 -1.728 -4.189 126 1HG2 VAL 17 HG21 VAL 17 47.816 -1.512 -1.409 127 2HG2 VAL 17 HG22 VAL 17 46.344 -1.658 -2.371 128 3HG2 VAL 17 HG23 VAL 17 47.657 -0.619 -2.922 129 H LYS 18 HN LYS 18 47.209 -5.430 -4.339 130 HA LYS 18 HA LYS 18 49.481 -6.087 -6.014 131 1HB LYS 18 HB1 LYS 18 47.160 -7.825 -5.130 132 2HB LYS 18 HB2 LYS 18 48.525 -7.413 -4.093 133 1HG LYS 18 HG1 LYS 18 48.783 -8.774 -6.791 134 2HG LYS 18 HG2 LYS 18 48.783 -9.627 -5.247 135 1HD LYS 18 HD1 LYS 18 50.667 -7.749 -4.735 136 2HD LYS 18 HD2 LYS 18 50.884 -7.920 -6.477 137 1HE LYS 18 HE1 LYS 18 51.215 -10.337 -6.233 138 2HE LYS 18 HE2 LYS 18 50.885 -10.227 -4.492 139 1HZ LYS 18 HZ1 LYS 18 52.734 -8.658 -4.305 140 2HZ LYS 18 HZ2 LYS 18 53.052 -8.809 -5.968 141 3HZ LYS 18 HZ3 LYS 18 53.269 -10.140 -4.934 142 H GLU 19 HN GLU 19 46.216 -5.263 -6.774 143 HA GLU 19 HA GLU 19 46.202 -6.801 -9.309 144 1HB GLU 19 HB1 GLU 19 43.921 -5.419 -9.345 145 2HB GLU 19 HB2 GLU 19 44.288 -5.229 -7.630 146 1HG GLU 19 HG1 GLU 19 43.039 -7.223 -7.684 147 2HG GLU 19 HG2 GLU 19 44.705 -7.804 -7.683 148 H ASN 20 HN ASN 20 46.250 -3.416 -8.183 149 HA ASN 20 HA ASN 20 46.538 -2.464 -10.995 150 1HB ASN 20 HB1 ASN 20 45.993 -0.309 -10.083 151 2HB ASN 20 HB2 ASN 20 46.359 -0.838 -8.446 152 1HD2 ASN 20 HD21 ASN 20 44.239 -0.398 -7.602 153 2HD2 ASN 20 HD22 ASN 20 42.872 -1.289 -8.071 154 H ALA 21 HN ALA 21 48.079 -1.763 -7.838 155 HA ALA 21 HA ALA 21 50.378 -0.432 -8.769 156 1HB ALA 21 HB1 ALA 21 50.783 -2.263 -6.489 157 2HB ALA 21 HB2 ALA 21 49.328 -1.271 -6.371 158 3HB ALA 21 HB3 ALA 21 50.904 -0.505 -6.555 159 H ARG 22 HN ARG 22 51.633 -1.249 -10.413 160 HA ARG 22 HA ARG 22 53.098 -3.775 -9.928 161 1HB ARG 22 HB1 ARG 22 52.381 -4.266 -12.462 162 2HB ARG 22 HB2 ARG 22 50.981 -3.304 -11.988 163 1HG ARG 22 HG1 ARG 22 50.366 -4.827 -10.291 164 2HG ARG 22 HG2 ARG 22 51.963 -5.572 -10.258 165 1HD ARG 22 HD1 ARG 22 50.793 -5.793 -12.917 166 2HD ARG 22 HD2 ARG 22 49.721 -6.496 -11.690 167 HE ARG 22 HE ARG 22 51.562 -7.958 -11.011 168 1HH1 ARG 22 HH11 ARG 22 51.755 -9.030 -13.550 169 2HH1 ARG 22 HH12 ARG 22 53.304 -8.569 -14.173 170 1HH2 ARG 22 HH21 ARG 22 53.756 -6.007 -11.878 171 2HH2 ARG 22 HH22 ARG 22 54.437 -6.855 -13.225 172 H SER 23 HN SER 23 53.636 -0.808 -10.225 173 HA SER 23 HA SER 23 55.905 -1.047 -12.103 174 1HB SER 23 HB1 SER 23 53.722 -0.348 -13.306 175 2HB SER 23 HB2 SER 23 55.136 0.666 -13.569 176 HG SER 23 HG SER 23 54.028 2.238 -12.787 177 HA PRO 24 HA PRO 24 57.655 1.784 -9.211 178 1HB PRO 24 HB1 PRO 24 59.658 1.654 -10.364 179 2HB PRO 24 HB2 PRO 24 59.289 3.346 -10.752 180 1HG PRO 24 HG1 PRO 24 59.687 1.490 -12.648 181 2HG PRO 24 HG2 PRO 24 58.543 2.824 -12.857 182 1HD PRO 24 HD1 PRO 24 58.032 -0.055 -12.372 183 2HD PRO 24 HD2 PRO 24 57.029 1.152 -13.205 184 H SER 25 HN SER 25 55.189 2.669 -9.419 185 HA SER 25 HA SER 25 55.413 5.599 -9.480 186 1HB SER 25 HB1 SER 25 53.461 5.630 -11.194 187 2HB SER 25 HB2 SER 25 53.946 3.976 -11.557 188 HG SER 25 HG SER 25 55.318 6.363 -11.990 189 H SER 26 HN SER 26 53.010 2.929 -9.583 190 HA SER 26 HA SER 26 50.974 4.255 -8.083 191 1HB SER 26 HB1 SER 26 50.426 2.309 -9.325 192 2HB SER 26 HB2 SER 26 50.308 1.795 -7.644 193 HG SER 26 HG SER 26 51.985 0.934 -9.573 194 H VAL 27 HN VAL 27 53.109 1.627 -6.887 195 HA VAL 27 HA VAL 27 52.554 2.199 -4.107 196 HB VAL 27 HB VAL 27 54.356 0.526 -3.750 197 1HG1 VAL 27 HG11 VAL 27 51.912 0.095 -4.789 198 2HG1 VAL 27 HG12 VAL 27 53.053 -1.214 -4.481 199 3HG1 VAL 27 HG13 VAL 27 52.892 -0.550 -6.107 200 1HG2 VAL 27 HG21 VAL 27 54.677 0.376 -6.744 201 2HG2 VAL 27 HG22 VAL 27 55.739 -0.255 -5.486 202 3HG2 VAL 27 HG23 VAL 27 55.677 1.479 -5.799 203 H THR 28 HN THR 28 54.750 3.619 -6.387 204 HA THR 28 HA THR 28 56.612 4.598 -4.306 205 HB THR 28 HB THR 28 56.454 5.166 -7.282 206 HG1 THR 28 HG1 THR 28 57.695 3.395 -7.556 207 1HG2 THR 28 HG21 THR 28 59.108 5.083 -6.252 208 2HG2 THR 28 HG22 THR 28 58.162 6.122 -5.185 209 3HG2 THR 28 HG23 THR 28 58.246 6.472 -6.911 210 H GLY 29 HN GLY 29 53.898 5.733 -6.235 211 1HA GLY 29 HA1 GLY 29 53.285 8.070 -6.600 212 2HA GLY 29 HA2 GLY 29 54.327 8.514 -5.249 213 H ASN 30 HN ASN 30 51.431 9.067 -5.709 214 HA ASN 30 HA ASN 30 50.205 7.574 -3.424 215 1HB ASN 30 HB1 ASN 30 49.454 9.752 -2.521 216 2HB ASN 30 HB2 ASN 30 50.284 10.581 -3.838 217 1HD2 ASN 30 HD21 ASN 30 51.328 7.826 -1.745 218 2HD2 ASN 30 HD22 ASN 30 52.748 8.583 -1.206 219 H ALA 31 HN ALA 31 49.806 7.444 -6.366 220 HA ALA 31 HA ALA 31 47.210 8.781 -6.842 221 1HB ALA 31 HB1 ALA 31 49.147 7.094 -8.436 222 2HB ALA 31 HB2 ALA 31 48.755 8.800 -8.654 223 3HB ALA 31 HB3 ALA 31 47.575 7.561 -9.087 224 H LEU 32 HN LEU 32 48.393 5.415 -7.201 225 HA LEU 32 HA LEU 32 45.895 4.120 -7.398 226 1HB LEU 32 HB1 LEU 32 48.021 2.764 -5.840 227 2HB LEU 32 HB2 LEU 32 48.533 3.432 -7.389 228 HG LEU 32 HG LEU 32 46.044 2.180 -7.889 229 1HD1 LEU 32 HD11 LEU 32 48.448 2.338 -9.088 230 2HD1 LEU 32 HD12 LEU 32 47.252 1.123 -9.534 231 3HD1 LEU 32 HD13 LEU 32 48.570 0.701 -8.443 232 1HD2 LEU 32 HD21 LEU 32 47.741 0.041 -6.710 233 2HD2 LEU 32 HD22 LEU 32 45.983 0.175 -6.778 234 3HD2 LEU 32 HD23 LEU 32 46.889 1.071 -5.559 235 H TRP 33 HN TRP 33 47.493 5.427 -4.563 236 HA TRP 33 HA TRP 33 45.777 3.983 -2.652 237 1HB TRP 33 HB1 TRP 33 47.089 5.201 -1.006 238 2HB TRP 33 HB2 TRP 33 47.650 6.337 -2.228 239 HD1 TRP 33 HD1 TRP 33 49.711 5.699 -3.628 240 HE1 TRP 33 HE1 TRP 33 51.304 3.681 -3.681 241 HE3 TRP 33 HE3 TRP 33 47.129 2.465 -0.638 242 HZ2 TRP 33 HZ2 TRP 33 51.463 1.040 -2.610 243 HZ3 TRP 33 HZ3 TRP 33 48.026 0.202 -0.174 244 HH2 TRP 33 HH2 TRP 33 50.188 -0.513 -1.156 245 H LYS 34 HN LYS 34 46.240 7.390 -3.659 246 HA LYS 34 HA LYS 34 44.102 8.534 -2.164 247 1HB LYS 34 HB1 LYS 34 44.250 10.163 -4.279 248 2HB LYS 34 HB2 LYS 34 45.683 9.193 -4.622 249 1HG LYS 34 HG1 LYS 34 46.649 10.780 -3.256 250 2HG LYS 34 HG2 LYS 34 46.120 9.643 -2.015 251 1HD LYS 34 HD1 LYS 34 44.250 10.957 -1.441 252 2HD LYS 34 HD2 LYS 34 44.287 11.837 -2.970 253 1HE LYS 34 HE1 LYS 34 46.740 12.095 -1.321 254 2HE LYS 34 HE2 LYS 34 45.284 12.851 -0.643 255 1HZ LYS 34 HZ1 LYS 34 46.285 14.405 -2.139 256 2HZ LYS 34 HZ2 LYS 34 44.896 13.797 -2.906 257 3HZ LYS 34 HZ3 LYS 34 46.433 13.237 -3.361 258 H ALA 35 HN ALA 35 44.151 7.043 -5.396 259 HA ALA 35 HA ALA 35 41.413 7.683 -6.079 260 1HB ALA 35 HB1 ALA 35 41.939 6.532 -8.016 261 2HB ALA 35 HB2 ALA 35 42.779 5.250 -7.145 262 3HB ALA 35 HB3 ALA 35 43.576 6.800 -7.415 263 H MET 36 HN MET 36 42.987 4.779 -4.714 264 HA MET 36 HA MET 36 40.776 3.029 -4.565 265 1HB MET 36 HB1 MET 36 42.999 3.439 -2.536 266 2HB MET 36 HB2 MET 36 43.182 2.551 -4.049 267 1HG MET 36 HG1 MET 36 42.051 0.732 -3.264 268 2HG MET 36 HG2 MET 36 40.877 1.714 -2.392 269 1HE MET 36 HE1 MET 36 44.525 -0.028 -2.128 270 2HE MET 36 HE2 MET 36 45.205 1.152 -1.011 271 3HE MET 36 HE3 MET 36 44.605 1.680 -2.580 272 H GLU 37 HN GLU 37 41.778 5.581 -2.285 273 HA GLU 37 HA GLU 37 39.840 5.098 -0.240 274 1HB GLU 37 HB1 GLU 37 41.030 7.739 -1.151 275 2HB GLU 37 HB2 GLU 37 41.894 6.563 -0.161 276 1HG GLU 37 HG1 GLU 37 41.001 7.794 1.555 277 2HG GLU 37 HG2 GLU 37 39.599 6.764 1.265 278 H LYS 38 HN LYS 38 39.746 7.264 -3.084 279 HA LYS 38 HA LYS 38 36.878 7.853 -2.576 280 1HB LYS 38 HB1 LYS 38 38.311 8.910 -4.952 281 2HB LYS 38 HB2 LYS 38 38.999 9.355 -3.390 282 1HG LYS 38 HG1 LYS 38 36.055 9.582 -3.548 283 2HG LYS 38 HG2 LYS 38 36.931 10.684 -4.608 284 1HD LYS 38 HD1 LYS 38 38.268 11.469 -2.684 285 2HD LYS 38 HD2 LYS 38 37.395 10.362 -1.624 286 1HE LYS 38 HE1 LYS 38 35.729 12.204 -3.278 287 2HE LYS 38 HE2 LYS 38 36.635 12.931 -1.936 288 1HZ LYS 38 HZ1 LYS 38 34.539 12.099 -1.118 289 2HZ LYS 38 HZ2 LYS 38 35.782 11.110 -0.517 290 3HZ LYS 38 HZ3 LYS 38 34.815 10.576 -1.808 291 H SER 39 HN SER 39 38.081 5.183 -3.675 292 HA SER 39 HA SER 39 36.513 5.095 -6.228 293 1HB SER 39 HB1 SER 39 38.925 3.592 -5.183 294 2HB SER 39 HB2 SER 39 38.829 4.621 -6.609 295 HG SER 39 HG SER 39 38.038 3.038 -7.722 296 H SER 40 HN SER 40 37.634 2.506 -4.034 297 HA SER 40 HA SER 40 35.028 1.905 -2.921 298 1HB SER 40 HB1 SER 40 35.153 -0.358 -4.446 299 2HB SER 40 HB2 SER 40 35.812 0.826 -5.569 300 HG SER 40 HG SER 40 33.516 0.671 -5.666 301 H LEU 41 HN LEU 41 36.031 1.346 -0.972 302 HA LEU 41 HA LEU 41 37.591 -1.173 -0.978 303 1HB LEU 41 HB1 LEU 41 38.653 1.241 0.501 304 2HB LEU 41 HB2 LEU 41 39.021 1.004 -1.197 305 HG LEU 41 HG LEU 41 40.788 0.059 0.244 306 1HD1 LEU 41 HD11 LEU 41 38.942 -0.553 2.038 307 2HD1 LEU 41 HD12 LEU 41 40.410 -1.522 1.899 308 3HD1 LEU 41 HD13 LEU 41 38.909 -2.086 1.165 309 1HD2 LEU 41 HD21 LEU 41 41.022 -1.973 -0.933 310 2HD2 LEU 41 HD22 LEU 41 39.983 -1.006 -1.982 311 3HD2 LEU 41 HD23 LEU 41 39.282 -2.260 -0.959 312 H THR 42 HN THR 42 37.235 1.261 1.632 313 HA THR 42 HA THR 42 35.024 -0.164 2.899 314 HB THR 42 HB THR 42 37.865 -0.355 3.982 315 HG1 THR 42 HG1 THR 42 37.816 -2.188 3.010 316 1HG2 THR 42 HG21 THR 42 36.731 -0.248 5.975 317 2HG2 THR 42 HG22 THR 42 36.424 -1.945 5.608 318 3HG2 THR 42 HG23 THR 42 35.198 -0.729 5.247 319 H GLN 43 HN GLN 43 37.772 1.531 4.419 320 HA GLN 43 HA GLN 43 36.585 4.149 4.493 321 1HB GLN 43 HB1 GLN 43 34.914 3.040 5.885 322 2HB GLN 43 HB2 GLN 43 35.901 4.077 6.913 323 1HG GLN 43 HG1 GLN 43 37.252 1.606 6.870 324 2HG GLN 43 HG2 GLN 43 35.547 1.186 7.007 325 1HE2 GLN 43 HE21 GLN 43 37.478 3.931 8.349 326 2HE2 GLN 43 HE22 GLN 43 37.008 3.664 9.957 327 H HIS 44 HN HIS 44 38.875 4.540 4.008 328 HA HIS 44 HA HIS 44 40.483 4.936 6.444 329 1HB HIS 44 HB1 HIS 44 42.281 3.560 4.802 330 2HB HIS 44 HB2 HIS 44 40.775 2.656 4.620 331 HD1 HIS 44 HD1 HIS 44 43.258 3.765 7.237 332 HD2 HIS 44 HD2 HIS 44 39.937 1.265 6.927 333 HE1 HIS 44 HE1 HIS 44 43.127 2.484 9.413 334 H SER 45 HN SER 45 42.469 6.165 5.980 335 HA SER 45 HA SER 45 42.102 8.006 3.685 336 1HB SER 45 HB1 SER 45 42.740 9.337 5.422 337 2HB SER 45 HB2 SER 45 44.366 8.804 5.030 338 HG SER 45 HG SER 45 44.395 8.015 6.956 339 H TRP 46 HN TRP 46 43.513 8.104 1.941 340 HA TRP 46 HA TRP 46 44.878 5.857 1.009 341 1HB TRP 46 HB1 TRP 46 44.177 8.099 -0.096 342 2HB TRP 46 HB2 TRP 46 45.626 7.308 -0.706 343 HD1 TRP 46 HD1 TRP 46 44.438 10.510 0.803 344 HE1 TRP 46 HE1 TRP 46 46.446 12.086 1.196 345 HE3 TRP 46 HE3 TRP 46 48.272 7.234 0.055 346 HZ2 TRP 46 HZ2 TRP 46 49.311 11.962 1.195 347 HZ3 TRP 46 HZ3 TRP 46 50.630 7.981 0.259 348 HH2 TRP 46 HH2 TRP 46 51.153 10.336 0.828 349 H GLN 47 HN GLN 47 46.217 8.485 3.002 350 HA GLN 47 HA GLN 47 48.970 7.744 2.890 351 1HB GLN 47 HB1 GLN 47 47.564 8.905 5.300 352 2HB GLN 47 HB2 GLN 47 47.763 9.839 3.818 353 1HG GLN 47 HG1 GLN 47 50.298 8.696 4.348 354 2HG GLN 47 HG2 GLN 47 49.705 9.275 5.904 355 1HE2 GLN 47 HE21 GLN 47 49.290 11.603 6.122 356 2HE2 GLN 47 HE22 GLN 47 49.903 12.713 4.993 357 H SER 48 HN SER 48 46.495 6.914 5.348 358 HA SER 48 HA SER 48 48.112 5.206 6.952 359 1HB SER 48 HB1 SER 48 45.224 4.581 6.487 360 2HB SER 48 HB2 SER 48 45.621 6.189 7.087 361 HG SER 48 HG SER 48 45.447 4.017 8.498 362 H LEU 49 HN LEU 49 46.566 4.661 3.851 363 HA LEU 49 HA LEU 49 46.759 1.741 3.937 364 1HB LEU 49 HB1 LEU 49 46.031 1.985 1.578 365 2HB LEU 49 HB2 LEU 49 46.316 3.723 1.676 366 HG LEU 49 HG LEU 49 44.666 3.825 3.549 367 1HD1 LEU 49 HD11 LEU 49 44.054 3.098 0.745 368 2HD1 LEU 49 HD12 LEU 49 43.557 4.508 1.678 369 3HD1 LEU 49 HD13 LEU 49 42.704 2.978 1.873 370 1HD2 LEU 49 HD21 LEU 49 44.897 0.959 3.334 371 2HD2 LEU 49 HD22 LEU 49 43.220 1.422 3.041 372 3HD2 LEU 49 HD23 LEU 49 44.018 1.903 4.536 373 H LYS 50 HN LYS 50 48.564 4.404 2.388 374 HA LYS 50 HA LYS 50 50.469 2.795 0.973 375 1HB LYS 50 HB1 LYS 50 50.938 5.526 2.203 376 2HB LYS 50 HB2 LYS 50 49.912 5.295 0.787 377 1HG LYS 50 HG1 LYS 50 51.893 5.622 -0.325 378 2HG LYS 50 HG2 LYS 50 52.093 3.900 -0.001 379 1HD LYS 50 HD1 LYS 50 53.420 4.367 1.970 380 2HD LYS 50 HD2 LYS 50 53.074 6.093 1.851 381 1HE LYS 50 HE1 LYS 50 54.262 6.148 -0.345 382 2HE LYS 50 HE2 LYS 50 54.664 4.431 -0.143 383 1HZ LYS 50 HZ1 LYS 50 55.279 6.541 1.863 384 2HZ LYS 50 HZ2 LYS 50 56.395 6.001 0.702 385 3HZ LYS 50 HZ3 LYS 50 55.806 4.930 1.882 386 H ASP 51 HN ASP 51 50.690 4.405 4.163 387 HA ASP 51 HA ASP 51 53.277 3.430 4.889 388 1HB ASP 51 HB1 ASP 51 50.896 4.027 6.676 389 2HB ASP 51 HB2 ASP 51 51.921 5.270 5.958 390 H ARG 52 HN ARG 52 50.035 2.042 5.246 391 HA ARG 52 HA ARG 52 50.741 -0.194 6.909 392 1HB ARG 52 HB1 ARG 52 48.520 0.482 4.968 393 2HB ARG 52 HB2 ARG 52 48.453 0.434 6.725 394 1HG ARG 52 HG1 ARG 52 48.687 -1.956 4.868 395 2HG ARG 52 HG2 ARG 52 47.274 -1.502 5.817 396 1HD ARG 52 HD1 ARG 52 49.651 -1.741 7.506 397 2HD ARG 52 HD2 ARG 52 49.306 -3.248 6.636 398 HE ARG 52 HE ARG 52 46.918 -2.965 7.498 399 1HH1 ARG 52 HH11 ARG 52 47.010 -3.900 9.793 400 2HH1 ARG 52 HH12 ARG 52 47.385 -2.718 11.001 401 1HH2 ARG 52 HH21 ARG 52 48.516 -0.361 8.723 402 2HH2 ARG 52 HH22 ARG 52 48.236 -0.714 10.395 403 H TYR 53 HN TYR 53 50.730 0.275 3.376 404 HA TYR 53 HA TYR 53 51.198 -2.420 2.586 405 1HB TYR 53 HB1 TYR 53 52.354 0.048 1.275 406 2HB TYR 53 HB2 TYR 53 50.637 -0.349 1.192 407 HD1 TYR 53 HD1 TYR 53 50.426 -3.149 0.823 408 HD2 TYR 53 HD2 TYR 53 53.460 -0.514 -0.698 409 HE1 TYR 53 HE1 TYR 53 50.892 -4.748 -1.011 410 HE2 TYR 53 HE2 TYR 53 53.926 -2.113 -2.532 411 HH TYR 53 HH TYR 53 53.517 -4.881 -2.710 412 H LEU 54 HN LEU 54 53.426 0.120 3.654 413 HA LEU 54 HA LEU 54 55.797 -1.596 3.236 414 1HB LEU 54 HB1 LEU 54 56.932 0.461 4.141 415 2HB LEU 54 HB2 LEU 54 55.338 1.178 4.377 416 HG LEU 54 HG LEU 54 55.147 0.360 1.777 417 1HD1 LEU 54 HD11 LEU 54 54.496 2.550 2.283 418 2HD1 LEU 54 HD12 LEU 54 55.936 2.815 1.299 419 3HD1 LEU 54 HD13 LEU 54 56.034 2.933 3.056 420 1HD2 LEU 54 HD21 LEU 54 57.227 0.875 0.629 421 2HD2 LEU 54 HD22 LEU 54 57.559 -0.357 1.847 422 3HD2 LEU 54 HD23 LEU 54 58.001 1.323 2.149 423 H LYS 55 HN LYS 55 53.586 -0.734 5.806 424 HA LYS 55 HA LYS 55 55.190 -1.154 8.113 425 1HB LYS 55 HB1 LYS 55 52.862 -1.877 9.044 426 2HB LYS 55 HB2 LYS 55 52.275 -1.509 7.425 427 1HG LYS 55 HG1 LYS 55 52.119 0.646 8.081 428 2HG LYS 55 HG2 LYS 55 53.881 0.691 8.094 429 1HD LYS 55 HD1 LYS 55 53.990 0.598 10.373 430 2HD LYS 55 HD2 LYS 55 52.636 -0.526 10.492 431 1HE LYS 55 HE1 LYS 55 52.026 2.264 9.597 432 2HE LYS 55 HE2 LYS 55 52.395 2.008 11.314 433 1HZ LYS 55 HZ1 LYS 55 50.065 1.617 10.977 434 2HZ LYS 55 HZ2 LYS 55 50.806 0.110 11.233 435 3HZ LYS 55 HZ3 LYS 55 50.365 0.586 9.664 436 H HIS 56 HN HIS 56 53.199 -3.514 6.282 437 HA HIS 56 HA HIS 56 55.063 -5.668 6.816 438 1HB HIS 56 HB1 HIS 56 54.175 -5.559 9.035 439 2HB HIS 56 HB2 HIS 56 53.439 -6.958 8.270 440 HD1 HIS 56 HD1 HIS 56 51.821 -6.131 10.497 441 HD2 HIS 56 HD2 HIS 56 51.442 -4.160 6.841 442 HE1 HIS 56 HE1 HIS 56 49.560 -4.998 10.524 443 H LEU 57 HN LEU 57 53.868 -4.740 4.433 444 HA LEU 57 HA LEU 57 52.204 -7.121 3.678 445 1HB LEU 57 HB1 LEU 57 51.057 -5.527 2.082 446 2HB LEU 57 HB2 LEU 57 51.936 -4.213 2.858 447 HG LEU 57 HG LEU 57 50.897 -4.781 5.014 448 1HD1 LEU 57 HD11 LEU 57 49.719 -3.160 3.665 449 2HD1 LEU 57 HD12 LEU 57 48.517 -4.232 4.380 450 3HD1 LEU 57 HD13 LEU 57 48.986 -4.433 2.692 451 1HD2 LEU 57 HD21 LEU 57 50.393 -7.039 5.094 452 2HD2 LEU 57 HD22 LEU 57 49.892 -7.090 3.403 453 3HD2 LEU 57 HD23 LEU 57 48.808 -6.423 4.624 454 H ARG 58 HN ARG 58 53.806 -4.370 2.035 455 HA ARG 58 HA ARG 58 55.265 -4.326 0.178 456 1HB ARG 58 HB1 ARG 58 56.963 -6.318 0.398 457 2HB ARG 58 HB2 ARG 58 56.095 -6.653 1.896 458 1HG ARG 58 HG1 ARG 58 56.733 -4.623 2.871 459 2HG ARG 58 HG2 ARG 58 57.030 -3.855 1.311 460 1HD ARG 58 HD1 ARG 58 58.716 -6.225 2.022 461 2HD ARG 58 HD2 ARG 58 59.061 -4.685 2.835 462 HE ARG 58 HE ARG 58 59.712 -3.788 0.724 463 1HH1 ARG 58 HH11 ARG 58 58.118 -3.859 -1.357 464 2HH1 ARG 58 HH12 ARG 58 58.405 -5.303 -2.270 465 1HH2 ARG 58 HH21 ARG 58 60.058 -6.927 0.310 466 2HH2 ARG 58 HH22 ARG 58 59.501 -7.039 -1.327 467 H GLY 59 HN GLY 59 56.274 -6.105 -1.542 468 1HA GLY 59 HA1 GLY 59 53.930 -7.703 -2.495 469 2HA GLY 59 HA2 GLY 59 55.601 -8.223 -2.729 Start of MODEL 22 1 1H GLY 1 HT1 GLY 1 40.705 10.736 10.383 2 2H GLY 1 HT2 GLY 1 40.210 9.627 11.571 3 3H GLY 1 HT3 GLY 1 39.130 10.810 11.005 4 1HA GLY 1 HA1 GLY 1 39.572 9.701 8.707 5 2HA GLY 1 HA2 GLY 1 38.397 9.011 9.826 6 H ARG 2 HN ARG 2 39.777 7.634 11.632 7 HA ARG 2 HA ARG 2 41.047 5.485 10.050 8 1HB ARG 2 HB1 ARG 2 42.884 7.041 10.503 9 2HB ARG 2 HB2 ARG 2 43.103 5.576 11.458 10 1HG ARG 2 HG1 ARG 2 42.988 6.735 13.396 11 2HG ARG 2 HG2 ARG 2 41.489 7.522 12.906 12 1HD ARG 2 HD1 ARG 2 42.816 9.408 12.925 13 2HD ARG 2 HD2 ARG 2 43.298 8.830 11.317 14 HE ARG 2 HE ARG 2 45.306 7.905 12.312 15 1HH1 ARG 2 HH11 ARG 2 45.206 6.794 14.736 16 2HH1 ARG 2 HH12 ARG 2 45.478 8.024 15.926 17 1HH2 ARG 2 HH21 ARG 2 44.769 10.642 13.765 18 2HH2 ARG 2 HH22 ARG 2 45.231 10.203 15.376 19 H ILE 3 HN ILE 3 40.307 3.600 10.882 20 HA ILE 3 HA ILE 3 39.744 3.420 13.814 21 HB ILE 3 HB ILE 3 37.728 2.073 13.165 22 1HG1 ILE 3 HG11 ILE 3 36.964 1.894 10.959 23 2HG1 ILE 3 HG12 ILE 3 38.699 1.688 10.781 24 1HG2 ILE 3 HG21 ILE 3 37.519 4.412 13.853 25 2HG2 ILE 3 HG22 ILE 3 36.332 4.026 12.608 26 3HG2 ILE 3 HG23 ILE 3 37.782 4.939 12.191 27 1HD1 ILE 3 HD11 ILE 3 36.974 3.734 9.647 28 2HD1 ILE 3 HD12 ILE 3 38.640 3.336 9.242 29 3HD1 ILE 3 HD13 ILE 3 38.300 4.463 10.551 30 H ALA 4 HN ALA 4 42.094 2.472 13.150 31 HA ALA 4 HA ALA 4 43.464 0.559 12.997 32 1HB ALA 4 HB1 ALA 4 41.227 0.087 14.659 33 2HB ALA 4 HB2 ALA 4 42.759 -0.786 14.671 34 3HB ALA 4 HB3 ALA 4 41.417 -1.376 13.692 35 H PHE 5 HN PHE 5 43.346 -1.870 12.054 36 HA PHE 5 HA PHE 5 42.002 -1.665 9.380 37 1HB PHE 5 HB1 PHE 5 43.973 -3.429 8.975 38 2HB PHE 5 HB2 PHE 5 44.652 -2.621 10.388 39 HD1 PHE 5 HD1 PHE 5 44.766 -0.038 10.348 40 HD2 PHE 5 HD2 PHE 5 44.115 -2.435 6.842 41 HE1 PHE 5 HE1 PHE 5 45.464 1.862 8.917 42 HE2 PHE 5 HE2 PHE 5 44.813 -0.533 5.412 43 HZ PHE 5 HZ PHE 5 45.486 1.616 6.449 44 H THR 6 HN THR 6 40.310 -3.065 9.190 45 HA THR 6 HA THR 6 40.065 -5.390 11.002 46 HB THR 6 HB THR 6 38.221 -4.475 8.780 47 HG1 THR 6 HG1 THR 6 38.507 -2.682 9.993 48 1HG2 THR 6 HG21 THR 6 38.042 -6.242 11.178 49 2HG2 THR 6 HG22 THR 6 37.295 -6.422 9.590 50 3HG2 THR 6 HG23 THR 6 36.619 -5.288 10.758 51 H ASP 7 HN ASP 7 39.241 -7.481 9.901 52 HA ASP 7 HA ASP 7 41.228 -8.547 8.152 53 1HB ASP 7 HB1 ASP 7 39.176 -10.260 7.857 54 2HB ASP 7 HB2 ASP 7 38.550 -9.328 9.217 55 H ALA 8 HN ALA 8 37.929 -7.359 7.473 56 HA ALA 8 HA ALA 8 37.778 -8.015 4.715 57 1HB ALA 8 HB1 ALA 8 35.893 -6.636 4.760 58 2HB ALA 8 HB2 ALA 8 36.666 -5.448 5.810 59 3HB ALA 8 HB3 ALA 8 36.102 -6.979 6.477 60 H ASP 9 HN ASP 9 39.523 -5.443 6.345 61 HA ASP 9 HA ASP 9 39.995 -3.847 3.938 62 1HB ASP 9 HB1 ASP 9 41.850 -3.060 5.778 63 2HB ASP 9 HB2 ASP 9 40.674 -3.854 6.826 64 H ASP 10 HN ASP 10 41.856 -6.200 5.866 65 HA ASP 10 HA ASP 10 44.340 -5.993 4.470 66 1HB ASP 10 HB1 ASP 10 44.621 -8.347 5.404 67 2HB ASP 10 HB2 ASP 10 42.951 -8.239 5.959 68 H VAL 11 HN VAL 11 41.402 -7.850 3.779 69 HA VAL 11 HA VAL 11 42.600 -9.358 1.573 70 HB VAL 11 HB VAL 11 39.724 -8.889 2.444 71 1HG1 VAL 11 HG11 VAL 11 39.384 -9.830 0.375 72 2HG1 VAL 11 HG12 VAL 11 39.720 -11.316 1.261 73 3HG1 VAL 11 HG13 VAL 11 40.995 -10.543 0.319 74 1HG2 VAL 11 HG21 VAL 11 40.565 -10.029 4.258 75 2HG2 VAL 11 HG22 VAL 11 41.912 -10.703 3.339 76 3HG2 VAL 11 HG23 VAL 11 40.304 -11.416 3.199 77 H ALA 12 HN ALA 12 40.559 -6.469 1.920 78 HA ALA 12 HA ALA 12 40.078 -6.115 -0.924 79 1HB ALA 12 HB1 ALA 12 39.856 -4.400 1.560 80 2HB ALA 12 HB2 ALA 12 38.553 -5.158 0.645 81 3HB ALA 12 HB3 ALA 12 39.423 -3.784 -0.035 82 H ILE 13 HN ILE 13 42.312 -4.595 1.415 83 HA ILE 13 HA ILE 13 43.614 -2.840 -0.448 84 HB ILE 13 HB ILE 13 44.578 -4.142 2.129 85 1HG1 ILE 13 HG11 ILE 13 42.393 -2.731 2.082 86 2HG1 ILE 13 HG12 ILE 13 43.462 -1.357 1.801 87 1HG2 ILE 13 HG21 ILE 13 46.435 -3.164 0.844 88 2HG2 ILE 13 HG22 ILE 13 46.089 -2.178 2.266 89 3HG2 ILE 13 HG23 ILE 13 45.536 -1.655 0.674 90 1HD1 ILE 13 HD11 ILE 13 42.982 -1.665 4.214 91 2HD1 ILE 13 HD12 ILE 13 44.697 -1.877 3.860 92 3HD1 ILE 13 HD13 ILE 13 43.673 -3.287 4.134 93 H LEU 14 HN LEU 14 44.525 -6.080 0.781 94 HA LEU 14 HA LEU 14 46.930 -6.404 -0.712 95 1HB LEU 14 HB1 LEU 14 44.847 -8.361 0.311 96 2HB LEU 14 HB2 LEU 14 46.304 -7.835 1.147 97 HG LEU 14 HG LEU 14 46.244 -9.416 -1.443 98 1HD1 LEU 14 HD11 LEU 14 48.287 -8.371 -1.599 99 2HD1 LEU 14 HD12 LEU 14 48.756 -9.682 -0.515 100 3HD1 LEU 14 HD13 LEU 14 48.391 -8.085 0.138 101 1HD2 LEU 14 HD21 LEU 14 45.557 -10.553 0.786 102 2HD2 LEU 14 HD22 LEU 14 47.252 -10.366 1.239 103 3HD2 LEU 14 HD23 LEU 14 46.817 -11.327 -0.174 104 H THR 15 HN THR 15 43.694 -7.766 -1.498 105 HA THR 15 HA THR 15 44.324 -8.724 -4.092 106 HB THR 15 HB THR 15 41.708 -7.583 -3.057 107 HG1 THR 15 HG1 THR 15 42.819 -10.187 -2.891 108 1HG2 THR 15 HG21 THR 15 42.292 -9.676 -5.171 109 2HG2 THR 15 HG22 THR 15 41.735 -8.032 -5.486 110 3HG2 THR 15 HG23 THR 15 40.689 -9.171 -4.638 111 H TYR 16 HN TYR 16 43.045 -5.533 -3.114 112 HA TYR 16 HA TYR 16 42.800 -4.456 -5.776 113 1HB TYR 16 HB1 TYR 16 43.270 -3.075 -3.110 114 2HB TYR 16 HB2 TYR 16 41.695 -3.605 -3.703 115 HD1 TYR 16 HD1 TYR 16 44.508 -1.264 -4.265 116 HD2 TYR 16 HD2 TYR 16 40.535 -2.397 -5.441 117 HE1 TYR 16 HE1 TYR 16 44.284 0.850 -5.541 118 HE2 TYR 16 HE2 TYR 16 40.311 -0.283 -6.717 119 HH TYR 16 HH TYR 16 42.396 1.413 -7.836 120 H VAL 17 HN VAL 17 45.351 -4.123 -3.294 121 HA VAL 17 HA VAL 17 47.105 -2.494 -4.906 122 HB VAL 17 HB VAL 17 47.518 -4.279 -2.482 123 1HG1 VAL 17 HG11 VAL 17 49.331 -2.043 -3.422 124 2HG1 VAL 17 HG12 VAL 17 49.643 -3.740 -3.791 125 3HG1 VAL 17 HG13 VAL 17 49.619 -3.192 -2.117 126 1HG2 VAL 17 HG21 VAL 17 47.217 -2.288 -1.209 127 2HG2 VAL 17 HG22 VAL 17 45.917 -2.290 -2.402 128 3HG2 VAL 17 HG23 VAL 17 47.334 -1.269 -2.645 129 H LYS 18 HN LYS 18 46.716 -5.990 -4.511 130 HA LYS 18 HA LYS 18 49.171 -6.725 -5.872 131 1HB LYS 18 HB1 LYS 18 46.586 -8.255 -5.428 132 2HB LYS 18 HB2 LYS 18 47.908 -8.148 -4.265 133 1HG LYS 18 HG1 LYS 18 48.578 -10.084 -5.296 134 2HG LYS 18 HG2 LYS 18 49.283 -8.959 -6.457 135 1HD LYS 18 HD1 LYS 18 47.460 -9.211 -7.963 136 2HD LYS 18 HD2 LYS 18 46.445 -9.962 -6.732 137 1HE LYS 18 HE1 LYS 18 47.128 -11.935 -7.674 138 2HE LYS 18 HE2 LYS 18 48.651 -11.650 -6.807 139 1HZ LYS 18 HZ1 LYS 18 49.318 -10.248 -8.747 140 2HZ LYS 18 HZ2 LYS 18 47.940 -10.802 -9.572 141 3HZ LYS 18 HZ3 LYS 18 49.159 -11.895 -9.116 142 H GLU 19 HN GLU 19 45.930 -5.882 -6.924 143 HA GLU 19 HA GLU 19 46.158 -7.050 -9.587 144 1HB GLU 19 HB1 GLU 19 44.145 -5.269 -9.773 145 2HB GLU 19 HB2 GLU 19 44.273 -5.360 -8.016 146 1HG GLU 19 HG1 GLU 19 42.749 -7.083 -8.550 147 2HG GLU 19 HG2 GLU 19 44.284 -7.935 -8.374 148 H ASN 20 HN ASN 20 46.510 -3.747 -8.244 149 HA ASN 20 HA ASN 20 47.529 -2.838 -10.918 150 1HB ASN 20 HB1 ASN 20 46.885 -0.629 -10.204 151 2HB ASN 20 HB2 ASN 20 46.677 -1.165 -8.544 152 1HD2 ASN 20 HD21 ASN 20 44.449 -0.512 -8.457 153 2HD2 ASN 20 HD22 ASN 20 43.237 -1.334 -9.314 154 H ALA 21 HN ALA 21 48.111 -2.309 -7.429 155 HA ALA 21 HA ALA 21 50.665 -1.059 -7.723 156 1HB ALA 21 HB1 ALA 21 50.535 -2.395 -5.227 157 2HB ALA 21 HB2 ALA 21 48.878 -1.973 -5.648 158 3HB ALA 21 HB3 ALA 21 50.112 -0.719 -5.566 159 H ARG 22 HN ARG 22 51.687 -2.523 -9.320 160 HA ARG 22 HA ARG 22 52.912 -4.934 -8.018 161 1HB ARG 22 HB1 ARG 22 52.720 -4.720 -10.980 162 2HB ARG 22 HB2 ARG 22 51.199 -4.930 -10.112 163 1HG ARG 22 HG1 ARG 22 51.858 -7.001 -9.216 164 2HG ARG 22 HG2 ARG 22 53.571 -6.677 -9.479 165 1HD ARG 22 HD1 ARG 22 52.959 -6.656 -12.010 166 2HD ARG 22 HD2 ARG 22 51.470 -7.474 -11.499 167 HE ARG 22 HE ARG 22 53.252 -8.995 -10.209 168 1HH1 ARG 22 HH11 ARG 22 53.081 -10.819 -11.980 169 2HH1 ARG 22 HH12 ARG 22 54.283 -10.627 -13.212 170 1HH2 ARG 22 HH21 ARG 22 54.982 -7.334 -12.387 171 2HH2 ARG 22 HH22 ARG 22 55.359 -8.655 -13.443 172 H SER 23 HN SER 23 53.383 -2.160 -10.185 173 HA SER 23 HA SER 23 56.292 -2.685 -10.381 174 1HB SER 23 HB1 SER 23 54.441 -1.804 -12.138 175 2HB SER 23 HB2 SER 23 56.134 -1.347 -12.259 176 HG SER 23 HG SER 23 54.001 0.134 -11.159 177 HA PRO 24 HA PRO 24 57.323 0.258 -7.261 178 1HB PRO 24 HB1 PRO 24 59.560 -0.194 -7.658 179 2HB PRO 24 HB2 PRO 24 59.560 1.477 -8.258 180 1HG PRO 24 HG1 PRO 24 60.311 -0.610 -9.777 181 2HG PRO 24 HG2 PRO 24 59.505 0.814 -10.450 182 1HD PRO 24 HD1 PRO 24 58.469 -1.923 -10.026 183 2HD PRO 24 HD2 PRO 24 57.957 -0.683 -11.190 184 H SER 25 HN SER 25 55.198 1.345 -8.341 185 HA SER 25 HA SER 25 55.864 4.215 -8.681 186 1HB SER 25 HB1 SER 25 55.945 3.195 -10.939 187 2HB SER 25 HB2 SER 25 54.597 4.318 -10.799 188 HG SER 25 HG SER 25 54.259 2.056 -11.686 189 H SER 26 HN SER 26 53.057 2.034 -9.175 190 HA SER 26 HA SER 26 51.159 3.871 -8.001 191 1HB SER 26 HB1 SER 26 50.322 2.338 -9.572 192 2HB SER 26 HB2 SER 26 49.788 1.639 -8.045 193 HG SER 26 HG SER 26 50.804 0.093 -9.390 194 H VAL 27 HN VAL 27 53.457 1.771 -6.547 195 HA VAL 27 HA VAL 27 51.827 1.425 -4.081 196 HB VAL 27 HB VAL 27 53.677 -0.121 -3.467 197 1HG1 VAL 27 HG11 VAL 27 53.411 -1.516 -5.759 198 2HG1 VAL 27 HG12 VAL 27 52.125 -0.333 -5.995 199 3HG1 VAL 27 HG13 VAL 27 52.113 -1.377 -4.573 200 1HG2 VAL 27 HG21 VAL 27 55.321 1.348 -4.949 201 2HG2 VAL 27 HG22 VAL 27 54.840 0.216 -6.211 202 3HG2 VAL 27 HG23 VAL 27 55.606 -0.378 -4.739 203 H THR 28 HN THR 28 54.460 3.341 -5.340 204 HA THR 28 HA THR 28 54.889 4.478 -2.596 205 HB THR 28 HB THR 28 56.764 3.064 -3.339 206 HG1 THR 28 HG1 THR 28 57.731 4.595 -2.284 207 1HG2 THR 28 HG21 THR 28 56.282 4.489 -5.860 208 2HG2 THR 28 HG22 THR 28 57.068 2.936 -5.579 209 3HG2 THR 28 HG23 THR 28 57.985 4.432 -5.406 210 H GLY 29 HN GLY 29 53.110 5.359 -4.884 211 1HA GLY 29 HA1 GLY 29 53.440 7.278 -6.553 212 2HA GLY 29 HA2 GLY 29 54.302 8.081 -5.244 213 H ASN 30 HN ASN 30 51.987 6.557 -3.563 214 HA ASN 30 HA ASN 30 49.921 7.201 -2.631 215 1HB ASN 30 HB1 ASN 30 49.704 9.637 -2.337 216 2HB ASN 30 HB2 ASN 30 50.917 9.907 -3.586 217 1HD2 ASN 30 HD21 ASN 30 51.867 11.075 -1.495 218 2HD2 ASN 30 HD22 ASN 30 52.910 10.130 -0.547 219 H ALA 31 HN ALA 31 50.180 6.748 -5.727 220 HA ALA 31 HA ALA 31 47.941 8.396 -6.740 221 1HB ALA 31 HB1 ALA 31 50.252 7.335 -7.805 222 2HB ALA 31 HB2 ALA 31 48.885 7.908 -8.761 223 3HB ALA 31 HB3 ALA 31 49.035 6.194 -8.374 224 H LEU 32 HN LEU 32 48.644 4.890 -6.919 225 HA LEU 32 HA LEU 32 45.992 4.004 -7.360 226 1HB LEU 32 HB1 LEU 32 47.855 2.380 -5.675 227 2HB LEU 32 HB2 LEU 32 48.425 2.867 -7.275 228 HG LEU 32 HG LEU 32 45.653 1.840 -7.233 229 1HD1 LEU 32 HD11 LEU 32 47.900 0.693 -8.842 230 2HD1 LEU 32 HD12 LEU 32 47.402 2.352 -9.171 231 3HD1 LEU 32 HD13 LEU 32 46.239 1.036 -9.322 232 1HD2 LEU 32 HD21 LEU 32 46.116 -0.410 -6.723 233 2HD2 LEU 32 HD22 LEU 32 47.021 0.463 -5.487 234 3HD2 LEU 32 HD23 LEU 32 47.856 -0.189 -6.896 235 H TRP 33 HN TRP 33 47.551 5.050 -4.409 236 HA TRP 33 HA TRP 33 45.616 3.843 -2.581 237 1HB TRP 33 HB1 TRP 33 46.897 5.044 -0.905 238 2HB TRP 33 HB2 TRP 33 47.550 6.144 -2.117 239 HD1 TRP 33 HD1 TRP 33 49.640 5.408 -3.438 240 HE1 TRP 33 HE1 TRP 33 51.168 3.337 -3.388 241 HE3 TRP 33 HE3 TRP 33 46.866 2.329 -0.448 242 HZ2 TRP 33 HZ2 TRP 33 51.208 0.727 -2.249 243 HZ3 TRP 33 HZ3 TRP 33 47.679 0.049 0.101 244 HH2 TRP 33 HH2 TRP 33 49.849 -0.751 -0.790 245 H LYS 34 HN LYS 34 46.341 7.245 -3.487 246 HA LYS 34 HA LYS 34 44.121 8.506 -2.283 247 1HB LYS 34 HB1 LYS 34 44.485 10.098 -4.342 248 2HB LYS 34 HB2 LYS 34 45.810 9.000 -4.730 249 1HG LYS 34 HG1 LYS 34 46.995 10.390 -3.356 250 2HG LYS 34 HG2 LYS 34 46.282 9.397 -2.087 251 1HD LYS 34 HD1 LYS 34 44.769 11.035 -1.476 252 2HD LYS 34 HD2 LYS 34 44.681 11.705 -3.106 253 1HE LYS 34 HE1 LYS 34 47.144 12.446 -2.705 254 2HE LYS 34 HE2 LYS 34 46.787 12.165 -0.989 255 1HZ LYS 34 HZ1 LYS 34 46.228 14.440 -1.676 256 2HZ LYS 34 HZ2 LYS 34 44.840 13.581 -1.207 257 3HZ LYS 34 HZ3 LYS 34 45.169 13.832 -2.854 258 H ALA 35 HN ALA 35 44.348 6.903 -5.452 259 HA ALA 35 HA ALA 35 41.828 7.626 -6.542 260 1HB ALA 35 HB1 ALA 35 43.294 4.985 -6.819 261 2HB ALA 35 HB2 ALA 35 43.774 6.465 -7.651 262 3HB ALA 35 HB3 ALA 35 42.212 5.724 -7.999 263 H MET 36 HN MET 36 42.605 4.494 -4.937 264 HA MET 36 HA MET 36 39.899 3.630 -4.731 265 1HB MET 36 HB1 MET 36 41.915 2.206 -4.510 266 2HB MET 36 HB2 MET 36 40.817 1.988 -3.154 267 1HG MET 36 HG1 MET 36 42.432 4.026 -2.249 268 2HG MET 36 HG2 MET 36 43.561 3.079 -3.207 269 1HE MET 36 HE1 MET 36 44.752 0.569 -1.548 270 2HE MET 36 HE2 MET 36 44.140 1.082 -3.119 271 3HE MET 36 HE3 MET 36 43.378 -0.269 -2.283 272 H GLU 37 HN GLU 37 41.719 5.907 -2.788 273 HA GLU 37 HA GLU 37 40.212 5.871 -0.366 274 1HB GLU 37 HB1 GLU 37 41.283 8.357 -1.713 275 2HB GLU 37 HB2 GLU 37 42.371 7.133 -1.057 276 1HG GLU 37 HG1 GLU 37 42.074 8.690 0.717 277 2HG GLU 37 HG2 GLU 37 41.003 7.347 1.119 278 H LYS 38 HN LYS 38 39.642 7.448 -3.486 279 HA LYS 38 HA LYS 38 37.280 8.928 -2.659 280 1HB LYS 38 HB1 LYS 38 37.058 8.731 -5.337 281 2HB LYS 38 HB2 LYS 38 38.736 8.215 -5.168 282 1HG LYS 38 HG1 LYS 38 39.036 10.305 -3.686 283 2HG LYS 38 HG2 LYS 38 37.487 10.839 -4.340 284 1HD LYS 38 HD1 LYS 38 38.963 11.790 -5.869 285 2HD LYS 38 HD2 LYS 38 38.621 10.249 -6.656 286 1HE LYS 38 HE1 LYS 38 40.962 10.248 -6.709 287 2HE LYS 38 HE2 LYS 38 40.687 9.447 -5.150 288 1HZ LYS 38 HZ1 LYS 38 42.216 11.334 -4.937 289 2HZ LYS 38 HZ2 LYS 38 40.778 11.616 -4.074 290 3HZ LYS 38 HZ3 LYS 38 41.038 12.377 -5.571 291 H SER 39 HN SER 39 37.875 5.745 -4.144 292 HA SER 39 HA SER 39 35.137 4.898 -3.361 293 1HB SER 39 HB1 SER 39 36.206 4.793 -6.201 294 2HB SER 39 HB2 SER 39 34.974 5.910 -5.619 295 HG SER 39 HG SER 39 33.649 4.381 -6.149 296 H SER 40 HN SER 40 36.684 3.620 -1.913 297 HA SER 40 HA SER 40 38.045 1.358 -3.309 298 1HB SER 40 HB1 SER 40 38.183 2.687 -0.609 299 2HB SER 40 HB2 SER 40 39.485 2.367 -1.748 300 HG SER 40 HG SER 40 39.833 0.585 -0.756 301 H LEU 41 HN LEU 41 37.861 -0.752 -1.823 302 HA LEU 41 HA LEU 41 35.052 -1.540 -1.832 303 1HB LEU 41 HB1 LEU 41 37.210 -3.160 -0.540 304 2HB LEU 41 HB2 LEU 41 37.370 -2.809 -2.262 305 HG LEU 41 HG LEU 41 34.728 -3.780 -1.234 306 1HD1 LEU 41 HD11 LEU 41 36.330 -4.058 -3.790 307 2HD1 LEU 41 HD12 LEU 41 34.848 -3.131 -3.552 308 3HD1 LEU 41 HD13 LEU 41 34.802 -4.894 -3.508 309 1HD2 LEU 41 HD21 LEU 41 37.278 -5.322 -1.318 310 2HD2 LEU 41 HD22 LEU 41 35.847 -6.116 -1.976 311 3HD2 LEU 41 HD23 LEU 41 35.855 -5.558 -0.303 312 H THR 42 HN THR 42 37.424 -0.597 0.601 313 HA THR 42 HA THR 42 35.420 -1.093 2.773 314 HB THR 42 HB THR 42 37.447 -0.983 4.222 315 HG1 THR 42 HG1 THR 42 39.459 -0.833 3.173 316 1HG2 THR 42 HG21 THR 42 36.855 -2.974 2.236 317 2HG2 THR 42 HG22 THR 42 37.572 -3.192 3.833 318 3HG2 THR 42 HG23 THR 42 38.603 -2.874 2.440 319 H GLN 43 HN GLN 43 36.113 0.652 4.671 320 HA GLN 43 HA GLN 43 35.864 3.348 3.376 321 1HB GLN 43 HB1 GLN 43 34.630 3.923 5.460 322 2HB GLN 43 HB2 GLN 43 34.907 2.289 6.059 323 1HG GLN 43 HG1 GLN 43 32.998 1.673 5.025 324 2HG GLN 43 HG2 GLN 43 33.811 1.944 3.485 325 1HE2 GLN 43 HE21 GLN 43 33.759 4.369 2.745 326 2HE2 GLN 43 HE22 GLN 43 32.320 5.219 3.046 327 H HIS 44 HN HIS 44 38.098 3.891 3.345 328 HA HIS 44 HA HIS 44 39.260 4.622 5.959 329 1HB HIS 44 HB1 HIS 44 41.355 3.220 4.813 330 2HB HIS 44 HB2 HIS 44 39.960 2.227 4.394 331 HD1 HIS 44 HD1 HIS 44 41.733 3.698 7.395 332 HD2 HIS 44 HD2 HIS 44 38.824 0.836 6.550 333 HE1 HIS 44 HE1 HIS 44 41.273 2.487 9.565 334 H SER 45 HN SER 45 41.697 5.396 5.401 335 HA SER 45 HA SER 45 41.401 7.327 3.139 336 1HB SER 45 HB1 SER 45 41.954 8.515 5.054 337 2HB SER 45 HB2 SER 45 43.566 8.188 4.431 338 HG SER 45 HG SER 45 43.951 6.886 6.023 339 H TRP 46 HN TRP 46 43.938 7.909 2.458 340 HA TRP 46 HA TRP 46 44.968 5.341 1.332 341 1HB TRP 46 HB1 TRP 46 44.097 7.326 -0.082 342 2HB TRP 46 HB2 TRP 46 45.661 6.659 -0.541 343 HD1 TRP 46 HD1 TRP 46 44.012 9.812 0.646 344 HE1 TRP 46 HE1 TRP 46 45.782 11.675 0.880 345 HE3 TRP 46 HE3 TRP 46 48.265 7.042 0.135 346 HZ2 TRP 46 HZ2 TRP 46 48.634 11.947 0.856 347 HZ3 TRP 46 HZ3 TRP 46 50.494 8.122 0.246 348 HH2 TRP 46 HH2 TRP 46 50.684 10.569 0.606 349 H GLN 47 HN GLN 47 45.976 8.332 2.978 350 HA GLN 47 HA GLN 47 48.781 7.963 3.063 351 1HB GLN 47 HB1 GLN 47 47.125 9.004 5.366 352 2HB GLN 47 HB2 GLN 47 47.245 9.896 3.848 353 1HG GLN 47 HG1 GLN 47 49.491 10.375 4.156 354 2HG GLN 47 HG2 GLN 47 49.776 8.924 5.117 355 1HE2 GLN 47 HE21 GLN 47 47.909 12.013 5.314 356 2HE2 GLN 47 HE22 GLN 47 48.154 12.224 6.980 357 H SER 48 HN SER 48 46.497 7.120 5.701 358 HA SER 48 HA SER 48 48.291 5.595 7.284 359 1HB SER 48 HB1 SER 48 45.301 5.494 6.806 360 2HB SER 48 HB2 SER 48 46.153 6.278 8.132 361 HG SER 48 HG SER 48 45.276 3.771 7.988 362 H LEU 49 HN LEU 49 46.591 4.776 4.334 363 HA LEU 49 HA LEU 49 47.043 1.885 4.535 364 1HB LEU 49 HB1 LEU 49 46.228 3.655 2.206 365 2HB LEU 49 HB2 LEU 49 45.105 3.018 3.406 366 HG LEU 49 HG LEU 49 46.857 1.356 1.569 367 1HD1 LEU 49 HD11 LEU 49 46.573 -0.037 3.411 368 2HD1 LEU 49 HD12 LEU 49 45.104 -0.405 2.508 369 3HD1 LEU 49 HD13 LEU 49 45.044 0.713 3.870 370 1HD2 LEU 49 HD21 LEU 49 43.883 1.950 1.597 371 2HD2 LEU 49 HD22 LEU 49 44.629 0.701 0.601 372 3HD2 LEU 49 HD23 LEU 49 45.038 2.397 0.341 373 H LYS 50 HN LYS 50 48.659 4.691 3.157 374 HA LYS 50 HA LYS 50 50.457 3.205 1.407 375 1HB LYS 50 HB1 LYS 50 50.944 5.947 2.575 376 2HB LYS 50 HB2 LYS 50 49.660 5.695 1.392 377 1HG LYS 50 HG1 LYS 50 51.329 6.089 -0.118 378 2HG LYS 50 HG2 LYS 50 51.727 4.396 0.175 379 1HD LYS 50 HD1 LYS 50 53.310 5.093 1.954 380 2HD LYS 50 HD2 LYS 50 52.925 6.782 1.620 381 1HE LYS 50 HE1 LYS 50 53.556 5.889 -0.894 382 2HE LYS 50 HE2 LYS 50 54.648 4.911 0.107 383 1HZ LYS 50 HZ1 LYS 50 55.429 6.874 1.190 384 2HZ LYS 50 HZ2 LYS 50 54.252 7.842 0.440 385 3HZ LYS 50 HZ3 LYS 50 55.515 7.171 -0.477 386 H ASP 51 HN ASP 51 50.900 4.902 4.533 387 HA ASP 51 HA ASP 51 53.594 4.132 5.014 388 1HB ASP 51 HB1 ASP 51 51.321 4.600 6.975 389 2HB ASP 51 HB2 ASP 51 52.290 5.868 6.225 390 H ARG 52 HN ARG 52 50.543 2.462 5.796 391 HA ARG 52 HA ARG 52 51.704 0.328 7.337 392 1HB ARG 52 HB1 ARG 52 49.143 0.777 5.793 393 2HB ARG 52 HB2 ARG 52 49.376 0.741 7.535 394 1HG ARG 52 HG1 ARG 52 49.440 -1.626 5.643 395 2HG ARG 52 HG2 ARG 52 48.239 -1.298 6.885 396 1HD ARG 52 HD1 ARG 52 50.931 -1.362 8.026 397 2HD ARG 52 HD2 ARG 52 50.534 -2.876 7.194 398 HE ARG 52 HE ARG 52 48.663 -3.153 8.694 399 1HH1 ARG 52 HH11 ARG 52 48.068 -0.126 8.772 400 2HH1 ARG 52 HH12 ARG 52 48.358 0.210 10.447 401 1HH2 ARG 52 HH21 ARG 52 50.046 -2.763 11.026 402 2HH2 ARG 52 HH22 ARG 52 49.475 -1.283 11.722 403 H TYR 53 HN TYR 53 51.136 0.732 3.838 404 HA TYR 53 HA TYR 53 51.703 -1.946 3.024 405 1HB TYR 53 HB1 TYR 53 52.387 0.613 1.552 406 2HB TYR 53 HB2 TYR 53 50.745 -0.026 1.669 407 HD1 TYR 53 HD1 TYR 53 53.653 -0.002 -0.300 408 HD2 TYR 53 HD2 TYR 53 50.580 -2.649 1.112 409 HE1 TYR 53 HE1 TYR 53 54.142 -1.564 -2.163 410 HE2 TYR 53 HE2 TYR 53 51.066 -4.210 -0.752 411 HH TYR 53 HH TYR 53 53.488 -4.546 -2.277 412 H LEU 54 HN LEU 54 53.800 0.760 3.869 413 HA LEU 54 HA LEU 54 56.250 -0.685 3.044 414 1HB LEU 54 HB1 LEU 54 57.296 1.448 3.863 415 2HB LEU 54 HB2 LEU 54 55.691 1.997 4.348 416 HG LEU 54 HG LEU 54 54.928 1.716 1.988 417 1HD1 LEU 54 HD11 LEU 54 56.009 3.852 3.019 418 2HD1 LEU 54 HD12 LEU 54 55.801 3.776 1.270 419 3HD1 LEU 54 HD13 LEU 54 57.383 3.461 1.984 420 1HD2 LEU 54 HD21 LEU 54 57.282 1.729 0.517 421 2HD2 LEU 54 HD22 LEU 54 56.215 0.340 0.718 422 3HD2 LEU 54 HD23 LEU 54 57.614 0.536 1.773 423 H LYS 55 HN LYS 55 54.370 -0.049 5.940 424 HA LYS 55 HA LYS 55 56.328 -0.405 7.967 425 1HB LYS 55 HB1 LYS 55 54.093 -1.478 9.059 426 2HB LYS 55 HB2 LYS 55 53.383 -0.692 7.649 427 1HG LYS 55 HG1 LYS 55 53.865 1.416 8.421 428 2HG LYS 55 HG2 LYS 55 55.365 0.902 9.193 429 1HD LYS 55 HD1 LYS 55 54.315 0.347 11.156 430 2HD LYS 55 HD2 LYS 55 52.846 -0.187 10.341 431 1HE LYS 55 HE1 LYS 55 52.189 2.156 9.953 432 2HE LYS 55 HE2 LYS 55 53.695 2.714 10.708 433 1HZ LYS 55 HZ1 LYS 55 51.555 1.069 11.968 434 2HZ LYS 55 HZ2 LYS 55 51.952 2.675 12.354 435 3HZ LYS 55 HZ3 LYS 55 53.045 1.421 12.699 436 H HIS 56 HN HIS 56 54.334 -2.857 6.274 437 HA HIS 56 HA HIS 56 56.382 -4.882 6.510 438 1HB HIS 56 HB1 HIS 56 55.765 -4.865 8.840 439 2HB HIS 56 HB2 HIS 56 55.113 -6.331 8.126 440 HD1 HIS 56 HD1 HIS 56 53.600 -5.929 10.441 441 HD2 HIS 56 HD2 HIS 56 52.732 -3.572 7.112 442 HE1 HIS 56 HE1 HIS 56 51.261 -5.029 10.788 443 H LEU 57 HN LEU 57 54.992 -4.106 4.283 444 HA LEU 57 HA LEU 57 53.369 -6.545 3.678 445 1HB LEU 57 HB1 LEU 57 51.817 -5.024 2.408 446 2HB LEU 57 HB2 LEU 57 52.695 -3.650 3.079 447 HG LEU 57 HG LEU 57 52.172 -4.504 5.370 448 1HD1 LEU 57 HD11 LEU 57 50.729 -2.790 4.710 449 2HD1 LEU 57 HD12 LEU 57 49.595 -4.092 5.076 450 3HD1 LEU 57 HD13 LEU 57 50.032 -3.746 3.402 451 1HD2 LEU 57 HD21 LEU 57 51.783 -6.815 5.099 452 2HD2 LEU 57 HD22 LEU 57 50.721 -6.564 3.712 453 3HD2 LEU 57 HD23 LEU 57 50.159 -6.167 5.335 454 H ARG 58 HN ARG 58 54.955 -3.641 2.319 455 HA ARG 58 HA ARG 58 55.211 -4.475 -0.378 456 1HB ARG 58 HB1 ARG 58 57.238 -2.912 1.247 457 2HB ARG 58 HB2 ARG 58 55.702 -2.231 0.713 458 1HG ARG 58 HG1 ARG 58 56.384 -2.072 -1.463 459 2HG ARG 58 HG2 ARG 58 57.294 -3.581 -1.393 460 1HD ARG 58 HD1 ARG 58 59.236 -2.497 -0.861 461 2HD ARG 58 HD2 ARG 58 58.417 -1.423 0.290 462 HE ARG 58 HE ARG 58 57.711 -0.042 -1.639 463 1HH1 ARG 58 HH11 ARG 58 57.814 -1.921 -3.876 464 2HH1 ARG 58 HH12 ARG 58 59.315 -1.545 -4.651 465 1HH2 ARG 58 HH21 ARG 58 60.596 0.177 -1.928 466 2HH2 ARG 58 HH22 ARG 58 60.891 -0.357 -3.549 467 H GLY 59 HN GLY 59 57.029 -5.441 2.471 468 1HA GLY 59 HA1 GLY 59 59.417 -6.388 1.928 469 2HA GLY 59 HA2 GLY 59 58.520 -7.401 0.795 Start of MODEL 23 1 1H GLY 1 HT1 GLY 1 45.331 10.135 11.675 2 2H GLY 1 HT2 GLY 1 45.161 11.205 12.982 3 3H GLY 1 HT3 GLY 1 43.890 11.006 11.874 4 1HA GLY 1 HA1 GLY 1 43.149 9.710 13.594 5 2HA GLY 1 HA2 GLY 1 44.788 9.217 14.026 6 H ARG 2 HN ARG 2 43.643 7.031 13.955 7 HA ARG 2 HA ARG 2 43.311 5.978 11.180 8 1HB ARG 2 HB1 ARG 2 45.653 5.655 11.822 9 2HB ARG 2 HB2 ARG 2 44.834 4.096 11.806 10 1HG ARG 2 HG1 ARG 2 45.870 3.936 13.861 11 2HG ARG 2 HG2 ARG 2 44.388 4.743 14.371 12 1HD ARG 2 HD1 ARG 2 45.789 6.319 15.259 13 2HD ARG 2 HD2 ARG 2 46.012 6.864 13.585 14 HE ARG 2 HE ARG 2 47.777 4.770 13.763 15 1HH1 ARG 2 HH11 ARG 2 48.616 7.697 13.823 16 2HH1 ARG 2 HH12 ARG 2 49.574 7.742 15.265 17 1HH2 ARG 2 HH21 ARG 2 48.372 4.722 16.474 18 2HH2 ARG 2 HH22 ARG 2 49.435 6.057 16.768 19 H ILE 3 HN ILE 3 42.406 3.684 11.277 20 HA ILE 3 HA ILE 3 40.714 3.272 13.721 21 HB ILE 3 HB ILE 3 39.956 2.953 10.793 22 1HG1 ILE 3 HG11 ILE 3 39.661 5.152 12.786 23 2HG1 ILE 3 HG12 ILE 3 38.268 4.825 11.754 24 1HG2 ILE 3 HG21 ILE 3 38.647 2.226 13.369 25 2HG2 ILE 3 HG22 ILE 3 38.514 1.462 11.785 26 3HG2 ILE 3 HG23 ILE 3 37.616 2.940 12.128 27 1HD1 ILE 3 HD11 ILE 3 39.363 6.222 10.312 28 2HD1 ILE 3 HD12 ILE 3 40.260 4.759 9.907 29 3HD1 ILE 3 HD13 ILE 3 40.934 5.920 11.051 30 H ALA 4 HN ALA 4 43.262 2.024 13.087 31 HA ALA 4 HA ALA 4 44.257 -0.112 12.973 32 1HB ALA 4 HB1 ALA 4 42.662 -0.281 14.908 33 2HB ALA 4 HB2 ALA 4 42.955 -1.827 14.112 34 3HB ALA 4 HB3 ALA 4 41.460 -0.946 13.802 35 H PHE 5 HN PHE 5 43.772 -2.468 12.041 36 HA PHE 5 HA PHE 5 42.149 -2.288 9.537 37 1HB PHE 5 HB1 PHE 5 44.299 -3.493 8.557 38 2HB PHE 5 HB2 PHE 5 45.100 -2.694 9.908 39 HD1 PHE 5 HD1 PHE 5 44.937 -0.190 10.143 40 HD2 PHE 5 HD2 PHE 5 43.585 -2.269 6.635 41 HE1 PHE 5 HE1 PHE 5 44.958 1.939 8.872 42 HE2 PHE 5 HE2 PHE 5 43.607 -0.139 5.364 43 HZ PHE 5 HZ PHE 5 44.294 1.964 6.483 44 H THR 6 HN THR 6 40.715 -3.959 9.907 45 HA THR 6 HA THR 6 41.374 -6.327 11.456 46 HB THR 6 HB THR 6 39.117 -5.344 11.304 47 HG1 THR 6 HG1 THR 6 38.031 -7.316 10.729 48 1HG2 THR 6 HG21 THR 6 39.691 -5.066 8.605 49 2HG2 THR 6 HG22 THR 6 38.111 -4.820 9.346 50 3HG2 THR 6 HG23 THR 6 38.514 -6.379 8.629 51 H ASP 7 HN ASP 7 40.245 -8.386 9.911 52 HA ASP 7 HA ASP 7 42.479 -8.999 8.087 53 1HB ASP 7 HB1 ASP 7 41.225 -11.215 8.031 54 2HB ASP 7 HB2 ASP 7 40.059 -10.489 9.138 55 H ALA 8 HN ALA 8 38.980 -8.410 7.907 56 HA ALA 8 HA ALA 8 38.561 -9.130 5.172 57 1HB ALA 8 HB1 ALA 8 36.490 -8.003 5.467 58 2HB ALA 8 HB2 ALA 8 37.182 -6.864 6.621 59 3HB ALA 8 HB3 ALA 8 36.918 -8.543 7.090 60 H ASP 9 HN ASP 9 39.749 -6.155 6.678 61 HA ASP 9 HA ASP 9 39.692 -4.554 4.249 62 1HB ASP 9 HB1 ASP 9 41.407 -3.258 5.839 63 2HB ASP 9 HB2 ASP 9 40.758 -4.376 7.040 64 H ASP 10 HN ASP 10 42.314 -6.180 6.079 65 HA ASP 10 HA ASP 10 44.502 -5.527 4.416 66 1HB ASP 10 HB1 ASP 10 45.430 -7.693 5.350 67 2HB ASP 10 HB2 ASP 10 43.831 -8.005 6.029 68 H VAL 11 HN VAL 11 41.946 -7.899 3.934 69 HA VAL 11 HA VAL 11 43.271 -9.293 1.732 70 HB VAL 11 HB VAL 11 40.380 -9.178 2.666 71 1HG1 VAL 11 HG11 VAL 11 40.633 -11.608 1.553 72 2HG1 VAL 11 HG12 VAL 11 41.821 -10.745 0.576 73 3HG1 VAL 11 HG13 VAL 11 40.145 -10.198 0.613 74 1HG2 VAL 11 HG21 VAL 11 42.252 -11.461 3.191 75 2HG2 VAL 11 HG22 VAL 11 40.861 -10.920 4.130 76 3HG2 VAL 11 HG23 VAL 11 42.377 -10.023 4.204 77 H ALA 12 HN ALA 12 40.745 -6.797 2.051 78 HA ALA 12 HA ALA 12 40.234 -6.532 -0.790 79 1HB ALA 12 HB1 ALA 12 38.806 -5.868 1.251 80 2HB ALA 12 HB2 ALA 12 38.855 -4.717 -0.084 81 3HB ALA 12 HB3 ALA 12 39.833 -4.438 1.357 82 H ILE 13 HN ILE 13 42.242 -4.704 1.536 83 HA ILE 13 HA ILE 13 43.204 -2.749 -0.354 84 HB ILE 13 HB ILE 13 44.388 -3.841 2.224 85 1HG1 ILE 13 HG11 ILE 13 43.272 -1.897 3.276 86 2HG1 ILE 13 HG12 ILE 13 42.102 -2.966 2.512 87 1HG2 ILE 13 HG21 ILE 13 45.736 -2.297 0.472 88 2HG2 ILE 13 HG22 ILE 13 45.926 -2.142 2.216 89 3HG2 ILE 13 HG23 ILE 13 44.866 -1.037 1.343 90 1HD1 ILE 13 HD11 ILE 13 43.241 -0.547 1.100 91 2HD1 ILE 13 HD12 ILE 13 41.779 -0.468 2.083 92 3HD1 ILE 13 HD13 ILE 13 41.825 -1.496 0.650 93 H LEU 14 HN LEU 14 44.533 -5.855 0.812 94 HA LEU 14 HA LEU 14 46.997 -5.768 -0.655 95 1HB LEU 14 HB1 LEU 14 45.250 -8.043 0.348 96 2HB LEU 14 HB2 LEU 14 46.592 -7.288 1.206 97 HG LEU 14 HG LEU 14 46.833 -8.817 -1.404 98 1HD1 LEU 14 HD11 LEU 14 49.333 -8.693 -0.370 99 2HD1 LEU 14 HD12 LEU 14 48.684 -7.169 0.235 100 3HD1 LEU 14 HD13 LEU 14 48.702 -7.494 -1.499 101 1HD2 LEU 14 HD21 LEU 14 46.293 -10.291 0.498 102 2HD2 LEU 14 HD22 LEU 14 47.610 -9.580 1.431 103 3HD2 LEU 14 HD23 LEU 14 47.964 -10.527 -0.014 104 H THR 15 HN THR 15 44.033 -7.646 -1.413 105 HA THR 15 HA THR 15 44.727 -8.517 -4.000 106 HB THR 15 HB THR 15 42.016 -7.661 -2.933 107 HG1 THR 15 HG1 THR 15 43.435 -10.113 -2.789 108 1HG2 THR 15 HG21 THR 15 41.050 -8.761 -4.688 109 2HG2 THR 15 HG22 THR 15 42.328 -9.974 -4.762 110 3HG2 THR 15 HG23 THR 15 42.578 -8.386 -5.485 111 H TYR 16 HN TYR 16 42.931 -5.530 -3.135 112 HA TYR 16 HA TYR 16 42.569 -4.476 -5.746 113 1HB TYR 16 HB1 TYR 16 43.067 -3.113 -3.074 114 2HB TYR 16 HB2 TYR 16 41.501 -3.610 -3.710 115 HD1 TYR 16 HD1 TYR 16 40.302 -2.241 -5.258 116 HD2 TYR 16 HD2 TYR 16 44.379 -1.316 -4.268 117 HE1 TYR 16 HE1 TYR 16 40.092 -0.061 -6.422 118 HE2 TYR 16 HE2 TYR 16 44.169 0.863 -5.434 119 HH TYR 16 HH TYR 16 42.453 2.415 -6.130 120 H VAL 17 HN VAL 17 45.206 -3.781 -3.427 121 HA VAL 17 HA VAL 17 46.773 -2.116 -5.119 122 HB VAL 17 HB VAL 17 47.486 -3.998 -2.845 123 1HG1 VAL 17 HG11 VAL 17 49.456 -2.365 -2.599 124 2HG1 VAL 17 HG12 VAL 17 49.101 -1.863 -4.252 125 3HG1 VAL 17 HG13 VAL 17 49.560 -3.532 -3.916 126 1HG2 VAL 17 HG21 VAL 17 45.821 -2.014 -2.585 127 2HG2 VAL 17 HG22 VAL 17 47.251 -0.995 -2.750 128 3HG2 VAL 17 HG23 VAL 17 47.142 -2.150 -1.423 129 H LYS 18 HN LYS 18 47.196 -5.610 -4.440 130 HA LYS 18 HA LYS 18 49.285 -6.037 -6.356 131 1HB LYS 18 HB1 LYS 18 47.258 -8.101 -5.502 132 2HB LYS 18 HB2 LYS 18 48.413 -7.437 -4.349 133 1HG LYS 18 HG1 LYS 18 50.024 -8.040 -6.513 134 2HG LYS 18 HG2 LYS 18 48.839 -9.345 -6.552 135 1HD LYS 18 HD1 LYS 18 49.356 -9.324 -3.909 136 2HD LYS 18 HD2 LYS 18 50.901 -8.710 -4.496 137 1HE LYS 18 HE1 LYS 18 49.874 -11.018 -6.031 138 2HE LYS 18 HE2 LYS 18 50.266 -11.381 -4.338 139 1HZ LYS 18 HZ1 LYS 18 52.204 -11.505 -5.885 140 2HZ LYS 18 HZ2 LYS 18 52.413 -10.394 -4.617 141 3HZ LYS 18 HZ3 LYS 18 52.030 -9.844 -6.178 142 H GLU 19 HN GLU 19 45.918 -5.482 -6.884 143 HA GLU 19 HA GLU 19 45.854 -7.005 -9.426 144 1HB GLU 19 HB1 GLU 19 43.487 -5.725 -9.276 145 2HB GLU 19 HB2 GLU 19 43.953 -5.649 -7.578 146 1HG GLU 19 HG1 GLU 19 43.999 -7.989 -7.363 147 2HG GLU 19 HG2 GLU 19 44.167 -8.239 -9.102 148 H ASN 20 HN ASN 20 46.017 -3.650 -8.278 149 HA ASN 20 HA ASN 20 45.838 -2.668 -11.095 150 1HB ASN 20 HB1 ASN 20 45.367 -0.529 -10.103 151 2HB ASN 20 HB2 ASN 20 45.934 -1.064 -8.528 152 1HD2 ASN 20 HD21 ASN 20 44.193 -1.363 -7.150 153 2HD2 ASN 20 HD22 ASN 20 42.690 -2.014 -7.595 154 H ALA 21 HN ALA 21 47.914 -2.332 -8.184 155 HA ALA 21 HA ALA 21 49.941 -0.697 -9.241 156 1HB ALA 21 HB1 ALA 21 51.373 -1.885 -7.520 157 2HB ALA 21 HB2 ALA 21 50.037 -3.008 -7.280 158 3HB ALA 21 HB3 ALA 21 49.828 -1.299 -6.902 159 H ARG 22 HN ARG 22 50.796 -4.121 -8.738 160 HA ARG 22 HA ARG 22 52.135 -5.559 -10.048 161 1HB ARG 22 HB1 ARG 22 51.305 -5.057 -12.623 162 2HB ARG 22 HB2 ARG 22 49.986 -4.366 -11.681 163 1HG ARG 22 HG1 ARG 22 49.181 -6.433 -11.280 164 2HG ARG 22 HG2 ARG 22 50.694 -6.878 -10.490 165 1HD ARG 22 HD1 ARG 22 50.183 -7.017 -13.487 166 2HD ARG 22 HD2 ARG 22 50.214 -8.405 -12.382 167 HE ARG 22 HE ARG 22 52.609 -7.226 -11.834 168 1HH1 ARG 22 HH11 ARG 22 51.680 -9.392 -14.068 169 2HH1 ARG 22 HH12 ARG 22 52.833 -8.971 -15.291 170 1HH2 ARG 22 HH21 ARG 22 53.821 -6.040 -13.729 171 2HH2 ARG 22 HH22 ARG 22 54.044 -7.076 -15.099 172 H SER 23 HN SER 23 53.083 -2.676 -9.622 173 HA SER 23 HA SER 23 55.368 -2.800 -11.458 174 1HB SER 23 HB1 SER 23 53.374 -1.786 -12.707 175 2HB SER 23 HB2 SER 23 54.839 -0.809 -12.684 176 HG SER 23 HG SER 23 53.427 0.623 -12.000 177 HA PRO 24 HA PRO 24 57.060 -0.597 -8.012 178 1HB PRO 24 HB1 PRO 24 59.151 -1.261 -8.751 179 2HB PRO 24 HB2 PRO 24 59.310 0.462 -9.146 180 1HG PRO 24 HG1 PRO 24 59.588 -1.477 -10.986 181 2HG PRO 24 HG2 PRO 24 58.910 0.110 -11.375 182 1HD PRO 24 HD1 PRO 24 57.569 -2.514 -11.140 183 2HD PRO 24 HD2 PRO 24 57.098 -1.078 -12.074 184 H SER 25 HN SER 25 54.988 0.876 -8.739 185 HA SER 25 HA SER 25 55.989 3.652 -8.711 186 1HB SER 25 HB1 SER 25 53.922 3.429 -10.732 187 2HB SER 25 HB2 SER 25 55.258 2.346 -11.114 188 HG SER 25 HG SER 25 56.553 3.981 -11.405 189 H SER 26 HN SER 26 53.113 1.539 -8.954 190 HA SER 26 HA SER 26 51.276 3.455 -7.797 191 1HB SER 26 HB1 SER 26 50.059 1.113 -7.397 192 2HB SER 26 HB2 SER 26 51.344 0.535 -8.453 193 HG SER 26 HG SER 26 50.207 1.284 -10.024 194 H VAL 27 HN VAL 27 52.824 0.519 -6.434 195 HA VAL 27 HA VAL 27 51.893 0.849 -3.757 196 HB VAL 27 HB VAL 27 53.777 -0.705 -3.241 197 1HG1 VAL 27 HG11 VAL 27 52.917 -2.517 -4.489 198 2HG1 VAL 27 HG12 VAL 27 52.557 -1.500 -5.883 199 3HG1 VAL 27 HG13 VAL 27 51.577 -1.374 -4.423 200 1HG2 VAL 27 HG21 VAL 27 55.491 -1.168 -4.745 201 2HG2 VAL 27 HG22 VAL 27 55.232 0.544 -5.075 202 3HG2 VAL 27 HG23 VAL 27 54.538 -0.674 -6.143 203 H THR 28 HN THR 28 54.397 2.541 -5.504 204 HA THR 28 HA THR 28 55.210 3.896 -2.954 205 HB THR 28 HB THR 28 56.914 2.301 -3.705 206 HG1 THR 28 HG1 THR 28 57.586 4.331 -2.879 207 1HG2 THR 28 HG21 THR 28 56.596 1.969 -5.995 208 2HG2 THR 28 HG22 THR 28 58.047 2.968 -5.975 209 3HG2 THR 28 HG23 THR 28 56.482 3.696 -6.333 210 H GLY 29 HN GLY 29 53.226 4.730 -5.027 211 1HA GLY 29 HA1 GLY 29 53.570 6.438 -6.961 212 2HA GLY 29 HA2 GLY 29 54.535 7.309 -5.771 213 H ASN 30 HN ASN 30 52.213 6.004 -3.887 214 HA ASN 30 HA ASN 30 50.217 6.802 -2.932 215 1HB ASN 30 HB1 ASN 30 50.121 9.326 -2.904 216 2HB ASN 30 HB2 ASN 30 51.498 9.332 -4.002 217 1HD2 ASN 30 HD21 ASN 30 52.307 10.570 -1.877 218 2HD2 ASN 30 HD22 ASN 30 53.109 9.596 -0.742 219 H ALA 31 HN ALA 31 50.359 6.221 -6.026 220 HA ALA 31 HA ALA 31 48.154 7.926 -7.018 221 1HB ALA 31 HB1 ALA 31 50.386 6.843 -8.143 222 2HB ALA 31 HB2 ALA 31 48.958 7.294 -9.073 223 3HB ALA 31 HB3 ALA 31 49.193 5.619 -8.574 224 H LEU 32 HN LEU 32 48.813 4.419 -6.743 225 HA LEU 32 HA LEU 32 46.113 3.572 -7.235 226 1HB LEU 32 HB1 LEU 32 47.901 1.943 -5.489 227 2HB LEU 32 HB2 LEU 32 48.559 2.408 -7.060 228 HG LEU 32 HG LEU 32 45.765 1.345 -6.940 229 1HD1 LEU 32 HD11 LEU 32 47.441 2.169 -8.960 230 2HD1 LEU 32 HD12 LEU 32 46.078 1.075 -9.176 231 3HD1 LEU 32 HD13 LEU 32 47.705 0.425 -8.968 232 1HD2 LEU 32 HD21 LEU 32 46.380 -0.852 -6.605 233 2HD2 LEU 32 HD22 LEU 32 47.606 -0.073 -5.606 234 3HD2 LEU 32 HD23 LEU 32 48.004 -0.601 -7.241 235 H TRP 33 HN TRP 33 47.836 4.563 -4.333 236 HA TRP 33 HA TRP 33 45.846 3.611 -2.434 237 1HB TRP 33 HB1 TRP 33 47.227 4.822 -0.837 238 2HB TRP 33 HB2 TRP 33 47.933 5.803 -2.119 239 HD1 TRP 33 HD1 TRP 33 49.981 4.875 -3.363 240 HE1 TRP 33 HE1 TRP 33 51.335 2.688 -3.252 241 HE3 TRP 33 HE3 TRP 33 46.957 2.121 -0.304 242 HZ2 TRP 33 HZ2 TRP 33 51.154 0.112 -2.040 243 HZ3 TRP 33 HZ3 TRP 33 47.577 -0.198 0.314 244 HH2 TRP 33 HH2 TRP 33 49.673 -1.206 -0.548 245 H LYS 34 HN LYS 34 46.686 6.834 -3.760 246 HA LYS 34 HA LYS 34 44.654 8.346 -2.473 247 1HB LYS 34 HB1 LYS 34 44.963 9.662 -4.787 248 2HB LYS 34 HB2 LYS 34 46.311 8.535 -4.956 249 1HG LYS 34 HG1 LYS 34 47.392 10.184 -3.771 250 2HG LYS 34 HG2 LYS 34 46.717 9.294 -2.410 251 1HD LYS 34 HD1 LYS 34 45.010 10.859 -2.073 252 2HD LYS 34 HD2 LYS 34 45.102 11.461 -3.729 253 1HE LYS 34 HE1 LYS 34 47.499 11.787 -1.944 254 2HE LYS 34 HE2 LYS 34 46.129 12.897 -1.754 255 1HZ LYS 34 HZ1 LYS 34 47.721 13.671 -3.444 256 2HZ LYS 34 HZ2 LYS 34 46.202 13.334 -4.127 257 3HZ LYS 34 HZ3 LYS 34 47.487 12.240 -4.323 258 H ALA 35 HN ALA 35 44.555 6.359 -5.400 259 HA ALA 35 HA ALA 35 41.986 7.165 -6.384 260 1HB ALA 35 HB1 ALA 35 44.032 5.327 -7.010 261 2HB ALA 35 HB2 ALA 35 42.587 5.653 -7.963 262 3HB ALA 35 HB3 ALA 35 42.587 4.342 -6.784 263 H MET 36 HN MET 36 42.978 4.658 -4.060 264 HA MET 36 HA MET 36 40.420 3.457 -3.634 265 1HB MET 36 HB1 MET 36 41.559 2.923 -1.360 266 2HB MET 36 HB2 MET 36 42.942 3.804 -2.008 267 1HG MET 36 HG1 MET 36 42.411 2.199 -4.117 268 2HG MET 36 HG2 MET 36 41.813 1.169 -2.817 269 1HE MET 36 HE1 MET 36 43.588 0.457 -0.578 270 2HE MET 36 HE2 MET 36 44.591 -0.585 -1.584 271 3HE MET 36 HE3 MET 36 42.883 -0.378 -1.970 272 H GLU 37 HN GLU 37 42.067 6.043 -1.761 273 HA GLU 37 HA GLU 37 40.046 6.594 0.129 274 1HB GLU 37 HB1 GLU 37 41.849 8.581 -1.288 275 2HB GLU 37 HB2 GLU 37 42.382 7.513 0.011 276 1HG GLU 37 HG1 GLU 37 41.822 9.395 1.244 277 2HG GLU 37 HG2 GLU 37 40.271 8.556 1.253 278 H LYS 38 HN LYS 38 40.189 7.420 -3.277 279 HA LYS 38 HA LYS 38 37.937 9.326 -3.107 280 1HB LYS 38 HB1 LYS 38 38.826 8.339 -5.737 281 2HB LYS 38 HB2 LYS 38 40.147 8.950 -4.741 282 1HG LYS 38 HG1 LYS 38 38.107 10.835 -4.394 283 2HG LYS 38 HG2 LYS 38 38.013 10.414 -6.103 284 1HD LYS 38 HD1 LYS 38 40.551 11.241 -4.660 285 2HD LYS 38 HD2 LYS 38 39.580 12.305 -5.678 286 1HE LYS 38 HE1 LYS 38 40.303 9.748 -6.972 287 2HE LYS 38 HE2 LYS 38 41.685 10.800 -6.602 288 1HZ LYS 38 HZ1 LYS 38 39.169 11.775 -7.851 289 2HZ LYS 38 HZ2 LYS 38 40.512 11.274 -8.764 290 3HZ LYS 38 HZ3 LYS 38 40.645 12.602 -7.713 291 H SER 39 HN SER 39 38.601 6.019 -4.187 292 HA SER 39 HA SER 39 35.706 5.399 -4.119 293 1HB SER 39 HB1 SER 39 35.754 4.581 -6.446 294 2HB SER 39 HB2 SER 39 37.442 5.059 -6.588 295 HG SER 39 HG SER 39 36.491 6.811 -7.330 296 H SER 40 HN SER 40 36.848 4.189 -2.259 297 HA SER 40 HA SER 40 38.235 1.712 -3.209 298 1HB SER 40 HB1 SER 40 39.558 2.839 -1.620 299 2HB SER 40 HB2 SER 40 38.721 1.635 -0.646 300 HG SER 40 HG SER 40 37.864 3.192 0.425 301 H LEU 41 HN LEU 41 37.728 -0.185 -1.569 302 HA LEU 41 HA LEU 41 34.822 -0.657 -1.684 303 1HB LEU 41 HB1 LEU 41 36.923 -2.473 -0.513 304 2HB LEU 41 HB2 LEU 41 36.833 -2.223 -2.257 305 HG LEU 41 HG LEU 41 34.415 -3.005 -0.618 306 1HD1 LEU 41 HD11 LEU 41 34.444 -2.031 -3.080 307 2HD1 LEU 41 HD12 LEU 41 33.389 -3.384 -2.670 308 3HD1 LEU 41 HD13 LEU 41 34.919 -3.678 -3.498 309 1HD2 LEU 41 HD21 LEU 41 35.872 -5.033 -2.248 310 2HD2 LEU 41 HD22 LEU 41 34.943 -5.243 -0.763 311 3HD2 LEU 41 HD23 LEU 41 36.584 -4.600 -0.694 312 H THR 42 HN THR 42 37.352 -0.177 0.745 313 HA THR 42 HA THR 42 35.325 -0.424 2.929 314 HB THR 42 HB THR 42 38.234 -0.057 3.483 315 HG1 THR 42 HG1 THR 42 38.839 -1.927 2.652 316 1HG2 THR 42 HG21 THR 42 37.564 -0.928 5.439 317 2HG2 THR 42 HG22 THR 42 37.030 -2.397 4.624 318 3HG2 THR 42 HG23 THR 42 35.919 -1.042 4.812 319 H GLN 43 HN GLN 43 36.907 1.200 4.769 320 HA GLN 43 HA GLN 43 36.622 3.917 3.532 321 1HB GLN 43 HB1 GLN 43 35.962 3.405 6.409 322 2HB GLN 43 HB2 GLN 43 34.802 2.896 5.180 323 1HG GLN 43 HG1 GLN 43 34.853 5.208 4.236 324 2HG GLN 43 HG2 GLN 43 35.928 5.691 5.547 325 1HE2 GLN 43 HE21 GLN 43 34.134 7.223 6.191 326 2HE2 GLN 43 HE22 GLN 43 32.826 6.626 7.093 327 H HIS 44 HN HIS 44 38.747 4.587 3.434 328 HA HIS 44 HA HIS 44 40.207 5.013 5.937 329 1HB HIS 44 HB1 HIS 44 42.104 3.569 4.466 330 2HB HIS 44 HB2 HIS 44 40.609 2.657 4.236 331 HD1 HIS 44 HD1 HIS 44 42.834 3.997 6.988 332 HD2 HIS 44 HD2 HIS 44 39.729 1.263 6.500 333 HE1 HIS 44 HE1 HIS 44 42.627 2.762 9.182 334 H SER 45 HN SER 45 42.133 6.323 5.589 335 HA SER 45 HA SER 45 41.949 7.997 3.156 336 1HB SER 45 HB1 SER 45 42.408 9.445 4.859 337 2HB SER 45 HB2 SER 45 44.073 8.933 4.632 338 HG SER 45 HG SER 45 42.551 8.585 6.765 339 H TRP 46 HN TRP 46 43.538 8.065 1.553 340 HA TRP 46 HA TRP 46 45.033 5.769 0.929 341 1HB TRP 46 HB1 TRP 46 44.336 7.865 -0.443 342 2HB TRP 46 HB2 TRP 46 45.853 7.076 -0.856 343 HD1 TRP 46 HD1 TRP 46 44.455 10.349 0.322 344 HE1 TRP 46 HE1 TRP 46 46.387 12.033 0.642 345 HE3 TRP 46 HE3 TRP 46 48.433 7.188 -0.075 346 HZ2 TRP 46 HZ2 TRP 46 49.254 12.030 0.717 347 HZ3 TRP 46 HZ3 TRP 46 50.755 8.047 0.124 348 HH2 TRP 46 HH2 TRP 46 51.168 10.461 0.520 349 H GLN 47 HN GLN 47 45.964 8.512 2.946 350 HA GLN 47 HA GLN 47 48.782 8.072 3.089 351 1HB GLN 47 HB1 GLN 47 48.065 9.049 5.558 352 2HB GLN 47 HB2 GLN 47 46.651 9.465 4.591 353 1HG GLN 47 HG1 GLN 47 47.946 11.312 4.125 354 2HG GLN 47 HG2 GLN 47 48.561 10.236 2.869 355 1HE2 GLN 47 HE21 GLN 47 50.749 9.527 3.043 356 2HE2 GLN 47 HE22 GLN 47 51.783 10.000 4.304 357 H SER 48 HN SER 48 46.128 6.817 5.135 358 HA SER 48 HA SER 48 47.812 5.256 6.880 359 1HB SER 48 HB1 SER 48 44.889 5.129 6.079 360 2HB SER 48 HB2 SER 48 45.569 5.886 7.518 361 HG SER 48 HG SER 48 44.641 3.685 7.731 362 H LEU 49 HN LEU 49 46.270 4.617 3.764 363 HA LEU 49 HA LEU 49 46.780 1.746 3.777 364 1HB LEU 49 HB1 LEU 49 46.015 1.919 1.453 365 2HB LEU 49 HB2 LEU 49 46.241 3.664 1.482 366 HG LEU 49 HG LEU 49 44.500 3.890 3.186 367 1HD1 LEU 49 HD11 LEU 49 43.625 2.151 0.859 368 2HD1 LEU 49 HD12 LEU 49 43.838 3.901 0.809 369 3HD1 LEU 49 HD13 LEU 49 42.571 3.196 1.812 370 1HD2 LEU 49 HD21 LEU 49 44.658 1.876 4.455 371 2HD2 LEU 49 HD22 LEU 49 44.486 0.867 3.019 372 3HD2 LEU 49 HD23 LEU 49 43.100 1.767 3.637 373 H LYS 50 HN LYS 50 48.501 4.632 2.719 374 HA LYS 50 HA LYS 50 50.514 3.247 1.139 375 1HB LYS 50 HB1 LYS 50 50.527 5.970 2.489 376 2HB LYS 50 HB2 LYS 50 49.843 5.641 0.896 377 1HG LYS 50 HG1 LYS 50 52.718 5.005 1.589 378 2HG LYS 50 HG2 LYS 50 52.229 6.566 0.928 379 1HD LYS 50 HD1 LYS 50 51.302 5.471 -1.052 380 2HD LYS 50 HD2 LYS 50 51.669 3.883 -0.376 381 1HE LYS 50 HE1 LYS 50 53.889 5.895 -0.689 382 2HE LYS 50 HE2 LYS 50 53.353 4.951 -2.094 383 1HZ LYS 50 HZ1 LYS 50 53.606 2.937 -0.770 384 2HZ LYS 50 HZ2 LYS 50 54.121 3.851 0.567 385 3HZ LYS 50 HZ3 LYS 50 55.076 3.781 -0.837 386 H ASP 51 HN ASP 51 50.632 4.856 4.338 387 HA ASP 51 HA ASP 51 53.242 3.976 5.080 388 1HB ASP 51 HB1 ASP 51 50.819 4.561 6.815 389 2HB ASP 51 HB2 ASP 51 51.893 5.786 6.140 390 H ARG 52 HN ARG 52 50.083 2.410 5.348 391 HA ARG 52 HA ARG 52 50.859 0.286 7.130 392 1HB ARG 52 HB1 ARG 52 48.650 0.820 5.149 393 2HB ARG 52 HB2 ARG 52 48.554 0.701 6.900 394 1HG ARG 52 HG1 ARG 52 48.867 -1.574 4.920 395 2HG ARG 52 HG2 ARG 52 47.511 -1.273 6.000 396 1HD ARG 52 HD1 ARG 52 49.701 -1.418 7.735 397 2HD ARG 52 HD2 ARG 52 50.014 -2.693 6.541 398 HE ARG 52 HE ARG 52 47.756 -2.595 8.420 399 1HH1 ARG 52 HH11 ARG 52 46.255 -3.015 6.014 400 2HH1 ARG 52 HH12 ARG 52 46.409 -4.710 5.694 401 1HH2 ARG 52 HH21 ARG 52 49.158 -5.121 7.766 402 2HH2 ARG 52 HH22 ARG 52 48.051 -5.904 6.688 403 H TYR 53 HN TYR 53 50.773 0.495 3.547 404 HA TYR 53 HA TYR 53 51.530 -2.190 2.995 405 1HB TYR 53 HB1 TYR 53 52.464 0.166 1.372 406 2HB TYR 53 HB2 TYR 53 50.745 -0.220 1.476 407 HD1 TYR 53 HD1 TYR 53 50.407 -2.978 1.371 408 HD2 TYR 53 HD2 TYR 53 53.499 -0.682 -0.529 409 HE1 TYR 53 HE1 TYR 53 50.721 -4.784 -0.298 410 HE2 TYR 53 HE2 TYR 53 53.812 -2.484 -2.200 411 HH TYR 53 HH TYR 53 53.184 -5.311 -1.994 412 H LEU 54 HN LEU 54 53.493 0.669 3.727 413 HA LEU 54 HA LEU 54 56.016 -0.851 3.428 414 1HB LEU 54 HB1 LEU 54 56.818 1.535 4.223 415 2HB LEU 54 HB2 LEU 54 55.153 1.991 3.859 416 HG LEU 54 HG LEU 54 55.587 0.716 1.607 417 1HD1 LEU 54 HD11 LEU 54 57.101 3.300 1.904 418 2HD1 LEU 54 HD12 LEU 54 55.351 3.264 2.123 419 3HD1 LEU 54 HD13 LEU 54 56.059 2.774 0.582 420 1HD2 LEU 54 HD21 LEU 54 58.411 1.479 2.415 421 2HD2 LEU 54 HD22 LEU 54 57.917 0.762 0.882 422 3HD2 LEU 54 HD23 LEU 54 57.800 -0.175 2.372 423 H LYS 55 HN LYS 55 53.728 -0.276 5.910 424 HA LYS 55 HA LYS 55 55.530 -0.027 8.172 425 1HB LYS 55 HB1 LYS 55 53.185 -0.986 9.175 426 2HB LYS 55 HB2 LYS 55 52.644 -0.394 7.605 427 1HG LYS 55 HG1 LYS 55 52.444 1.533 8.899 428 2HG LYS 55 HG2 LYS 55 54.077 1.727 8.261 429 1HD LYS 55 HD1 LYS 55 55.073 1.043 10.290 430 2HD LYS 55 HD2 LYS 55 53.587 0.284 10.864 431 1HE LYS 55 HE1 LYS 55 52.533 2.529 11.055 432 2HE LYS 55 HE2 LYS 55 54.054 3.272 10.523 433 1HZ LYS 55 HZ1 LYS 55 53.774 1.424 12.842 434 2HZ LYS 55 HZ2 LYS 55 53.856 3.116 12.972 435 3HZ LYS 55 HZ3 LYS 55 55.183 2.242 12.372 436 H HIS 56 HN HIS 56 53.711 -2.767 6.751 437 HA HIS 56 HA HIS 56 55.762 -4.652 7.608 438 1HB HIS 56 HB1 HIS 56 54.708 -4.376 9.742 439 2HB HIS 56 HB2 HIS 56 54.166 -5.919 9.104 440 HD1 HIS 56 HD1 HIS 56 52.349 -4.941 11.136 441 HD2 HIS 56 HD2 HIS 56 51.998 -3.601 7.203 442 HE1 HIS 56 HE1 HIS 56 49.977 -4.099 10.874 443 H LEU 57 HN LEU 57 54.243 -3.909 5.150 444 HA LEU 57 HA LEU 57 53.009 -6.583 4.548 445 1HB LEU 57 HB1 LEU 57 51.866 -5.177 2.713 446 2HB LEU 57 HB2 LEU 57 52.475 -3.773 3.584 447 HG LEU 57 HG LEU 57 51.369 -4.731 5.659 448 1HD1 LEU 57 HD11 LEU 57 49.045 -4.064 4.842 449 2HD1 LEU 57 HD12 LEU 57 49.764 -3.879 3.244 450 3HD1 LEU 57 HD13 LEU 57 50.321 -2.876 4.583 451 1HD2 LEU 57 HD21 LEU 57 50.545 -6.701 3.579 452 2HD2 LEU 57 HD22 LEU 57 49.324 -6.231 4.760 453 3HD2 LEU 57 HD23 LEU 57 50.842 -6.947 5.300 454 H ARG 58 HN ARG 58 54.873 -3.875 3.126 455 HA ARG 58 HA ARG 58 55.710 -5.348 0.772 456 1HB ARG 58 HB1 ARG 58 57.284 -3.072 1.912 457 2HB ARG 58 HB2 ARG 58 55.609 -2.763 1.453 458 1HG ARG 58 HG1 ARG 58 56.114 -3.750 -0.801 459 2HG ARG 58 HG2 ARG 58 57.806 -3.872 -0.322 460 1HD ARG 58 HD1 ARG 58 57.983 -1.463 -0.098 461 2HD ARG 58 HD2 ARG 58 56.233 -1.269 -0.326 462 HE ARG 58 HE ARG 58 56.525 -1.900 -2.654 463 1HH1 ARG 58 HH11 ARG 58 59.072 -0.224 -1.623 464 2HH1 ARG 58 HH12 ARG 58 60.276 -0.968 -2.621 465 1HH2 ARG 58 HH21 ARG 58 58.226 -3.590 -3.595 466 2HH2 ARG 58 HH22 ARG 58 59.797 -2.873 -3.739 467 H GLY 59 HN GLY 59 58.106 -5.781 0.359 468 1HA GLY 59 HA1 GLY 59 59.925 -6.146 2.569 469 2HA GLY 59 HA2 GLY 59 60.148 -6.790 0.942 Start of MODEL 24 1 1H GLY 1 HT1 GLY 1 34.470 6.557 11.502 2 2H GLY 1 HT2 GLY 1 33.155 5.493 11.651 3 3H GLY 1 HT3 GLY 1 33.276 6.513 10.299 4 1HA GLY 1 HA1 GLY 1 35.180 5.349 9.488 5 2HA GLY 1 HA2 GLY 1 33.892 4.189 9.810 6 H ARG 2 HN ARG 2 36.417 3.199 9.761 7 HA ARG 2 HA ARG 2 37.170 2.868 12.649 8 1HB ARG 2 HB1 ARG 2 37.781 0.477 11.575 9 2HB ARG 2 HB2 ARG 2 36.498 0.953 10.462 10 1HG ARG 2 HG1 ARG 2 35.940 1.387 13.347 11 2HG ARG 2 HG2 ARG 2 36.031 -0.295 12.827 12 1HD ARG 2 HD1 ARG 2 34.482 1.447 11.004 13 2HD ARG 2 HD2 ARG 2 33.772 1.251 12.619 14 HE ARG 2 HE ARG 2 34.540 -1.030 10.824 15 1HH1 ARG 2 HH11 ARG 2 31.909 -1.297 10.618 16 2HH1 ARG 2 HH12 ARG 2 31.286 -1.949 12.097 17 1HH2 ARG 2 HH21 ARG 2 34.108 -1.152 13.945 18 2HH2 ARG 2 HH22 ARG 2 32.532 -1.869 13.981 19 H ILE 3 HN ILE 3 39.353 3.061 13.051 20 HA ILE 3 HA ILE 3 41.148 3.493 10.707 21 HB ILE 3 HB ILE 3 40.791 5.227 12.522 22 1HG1 ILE 3 HG11 ILE 3 43.601 4.142 12.167 23 2HG1 ILE 3 HG12 ILE 3 43.208 5.751 12.764 24 1HG2 ILE 3 HG21 ILE 3 41.583 4.919 14.711 25 2HG2 ILE 3 HG22 ILE 3 42.564 3.525 14.261 26 3HG2 ILE 3 HG23 ILE 3 40.810 3.375 14.351 27 1HD1 ILE 3 HD11 ILE 3 42.682 4.603 10.015 28 2HD1 ILE 3 HD12 ILE 3 43.632 6.029 10.435 29 3HD1 ILE 3 HD13 ILE 3 41.876 6.062 10.594 30 H ALA 4 HN ALA 4 40.294 0.814 11.682 31 HA ALA 4 HA ALA 4 42.940 -0.279 12.580 32 1HB ALA 4 HB1 ALA 4 40.090 -0.797 13.227 33 2HB ALA 4 HB2 ALA 4 41.519 -0.967 14.247 34 3HB ALA 4 HB3 ALA 4 41.109 -2.231 13.087 35 H PHE 5 HN PHE 5 42.824 -2.848 11.871 36 HA PHE 5 HA PHE 5 41.952 -2.984 9.011 37 1HB PHE 5 HB1 PHE 5 44.231 -4.078 8.612 38 2HB PHE 5 HB2 PHE 5 44.684 -3.494 10.213 39 HD1 PHE 5 HD1 PHE 5 43.306 -2.339 6.928 40 HD2 PHE 5 HD2 PHE 5 45.449 -1.294 10.502 41 HE1 PHE 5 HE1 PHE 5 43.802 -0.103 5.978 42 HE2 PHE 5 HE2 PHE 5 45.945 0.941 9.549 43 HZ PHE 5 HZ PHE 5 45.121 1.536 7.287 44 H THR 6 HN THR 6 40.286 -4.471 9.625 45 HA THR 6 HA THR 6 40.875 -6.875 11.187 46 HB THR 6 HB THR 6 38.528 -7.396 10.647 47 HG1 THR 6 HG1 THR 6 38.495 -5.070 9.046 48 1HG2 THR 6 HG21 THR 6 38.051 -5.938 12.291 49 2HG2 THR 6 HG22 THR 6 37.887 -4.673 11.074 50 3HG2 THR 6 HG23 THR 6 39.442 -4.942 11.861 51 H ASP 7 HN ASP 7 39.954 -9.013 9.995 52 HA ASP 7 HA ASP 7 41.870 -9.783 8.025 53 1HB ASP 7 HB1 ASP 7 40.301 -11.753 7.792 54 2HB ASP 7 HB2 ASP 7 39.161 -10.891 8.825 55 H ALA 8 HN ALA 8 38.653 -8.371 7.727 56 HA ALA 8 HA ALA 8 38.331 -8.933 4.888 57 1HB ALA 8 HB1 ALA 8 36.270 -8.001 5.264 58 2HB ALA 8 HB2 ALA 8 36.946 -6.626 6.135 59 3HB ALA 8 HB3 ALA 8 36.729 -8.169 6.960 60 H ASP 9 HN ASP 9 39.304 -6.049 6.768 61 HA ASP 9 HA ASP 9 39.675 -4.276 4.556 62 1HB ASP 9 HB1 ASP 9 41.440 -3.389 6.413 63 2HB ASP 9 HB2 ASP 9 40.492 -4.495 7.408 64 H ASP 10 HN ASP 10 41.939 -6.507 6.185 65 HA ASP 10 HA ASP 10 44.316 -5.811 4.776 66 1HB ASP 10 HB1 ASP 10 44.822 -8.313 5.335 67 2HB ASP 10 HB2 ASP 10 43.237 -8.292 6.109 68 H VAL 11 HN VAL 11 41.713 -8.097 3.955 69 HA VAL 11 HA VAL 11 42.977 -9.121 1.553 70 HB VAL 11 HB VAL 11 40.076 -9.023 2.463 71 1HG1 VAL 11 HG11 VAL 11 39.910 -11.074 0.977 72 2HG1 VAL 11 HG12 VAL 11 41.500 -10.652 0.340 73 3HG1 VAL 11 HG13 VAL 11 40.140 -9.552 0.115 74 1HG2 VAL 11 HG21 VAL 11 40.485 -10.892 3.735 75 2HG2 VAL 11 HG22 VAL 11 42.112 -10.216 3.788 76 3HG2 VAL 11 HG23 VAL 11 41.727 -11.494 2.638 77 H ALA 12 HN ALA 12 40.523 -6.608 2.191 78 HA ALA 12 HA ALA 12 39.998 -5.902 -0.539 79 1HB ALA 12 HB1 ALA 12 38.658 -4.320 0.457 80 2HB ALA 12 HB2 ALA 12 39.925 -3.806 1.570 81 3HB ALA 12 HB3 ALA 12 38.997 -5.268 1.904 82 H ILE 13 HN ILE 13 42.230 -4.471 1.866 83 HA ILE 13 HA ILE 13 43.385 -2.537 0.053 84 HB ILE 13 HB ILE 13 44.374 -3.807 2.631 85 1HG1 ILE 13 HG11 ILE 13 42.123 -2.484 2.482 86 2HG1 ILE 13 HG12 ILE 13 43.162 -1.069 2.313 87 1HG2 ILE 13 HG21 ILE 13 46.304 -2.783 1.838 88 2HG2 ILE 13 HG22 ILE 13 45.547 -1.428 2.676 89 3HG2 ILE 13 HG23 ILE 13 45.408 -1.570 0.923 90 1HD1 ILE 13 HD11 ILE 13 44.387 -2.022 4.412 91 2HD1 ILE 13 HD12 ILE 13 42.916 -2.968 4.638 92 3HD1 ILE 13 HD13 ILE 13 42.839 -1.207 4.636 93 H LEU 14 HN LEU 14 43.962 -5.937 0.642 94 HA LEU 14 HA LEU 14 46.626 -5.981 -0.583 95 1HB LEU 14 HB1 LEU 14 44.616 -8.090 0.273 96 2HB LEU 14 HB2 LEU 14 46.008 -7.526 1.195 97 HG LEU 14 HG LEU 14 46.241 -8.859 -1.515 98 1HD1 LEU 14 HD11 LEU 14 48.399 -8.866 0.539 99 2HD1 LEU 14 HD12 LEU 14 48.063 -7.326 -0.252 100 3HD1 LEU 14 HD13 LEU 14 48.518 -8.732 -1.216 101 1HD2 LEU 14 HD21 LEU 14 46.450 -10.934 -0.498 102 2HD2 LEU 14 HD22 LEU 14 45.249 -10.193 0.560 103 3HD2 LEU 14 HD23 LEU 14 46.944 -10.243 1.048 104 H THR 15 HN THR 15 43.507 -7.516 -1.489 105 HA THR 15 HA THR 15 44.177 -8.288 -4.115 106 HB THR 15 HB THR 15 42.147 -8.952 -2.877 107 HG1 THR 15 HG1 THR 15 41.476 -7.539 -5.239 108 1HG2 THR 15 HG21 THR 15 41.875 -6.384 -2.160 109 2HG2 THR 15 HG22 THR 15 40.502 -7.490 -2.201 110 3HG2 THR 15 HG23 THR 15 40.785 -6.385 -3.547 111 H TYR 16 HN TYR 16 43.259 -5.109 -2.903 112 HA TYR 16 HA TYR 16 42.764 -3.898 -5.505 113 1HB TYR 16 HB1 TYR 16 43.486 -2.705 -2.804 114 2HB TYR 16 HB2 TYR 16 41.851 -3.110 -3.326 115 HD1 TYR 16 HD1 TYR 16 40.607 -1.645 -4.727 116 HD2 TYR 16 HD2 TYR 16 44.804 -0.977 -4.103 117 HE1 TYR 16 HE1 TYR 16 40.423 0.559 -5.845 118 HE2 TYR 16 HE2 TYR 16 44.620 1.228 -5.223 119 HH TYR 16 HH TYR 16 42.315 2.109 -7.175 120 H VAL 17 HN VAL 17 45.497 -3.914 -3.223 121 HA VAL 17 HA VAL 17 47.264 -2.315 -4.893 122 HB VAL 17 HB VAL 17 47.612 -4.166 -2.507 123 1HG1 VAL 17 HG11 VAL 17 49.639 -2.354 -3.845 124 2HG1 VAL 17 HG12 VAL 17 49.756 -4.100 -3.629 125 3HG1 VAL 17 HG13 VAL 17 49.839 -3.031 -2.230 126 1HG2 VAL 17 HG21 VAL 17 46.302 -2.103 -2.143 127 2HG2 VAL 17 HG22 VAL 17 47.637 -1.146 -2.784 128 3HG2 VAL 17 HG23 VAL 17 47.839 -2.043 -1.280 129 H LYS 18 HN LYS 18 46.987 -5.808 -4.176 130 HA LYS 18 HA LYS 18 49.132 -6.731 -5.814 131 1HB LYS 18 HB1 LYS 18 46.505 -8.125 -5.215 132 2HB LYS 18 HB2 LYS 18 47.799 -7.950 -4.030 133 1HG LYS 18 HG1 LYS 18 49.334 -9.060 -5.733 134 2HG LYS 18 HG2 LYS 18 47.885 -9.444 -6.661 135 1HD LYS 18 HD1 LYS 18 46.963 -10.655 -4.717 136 2HD LYS 18 HD2 LYS 18 48.407 -10.262 -3.784 137 1HE LYS 18 HE1 LYS 18 49.712 -11.797 -4.924 138 2HE LYS 18 HE2 LYS 18 48.800 -11.600 -6.435 139 1HZ LYS 18 HZ1 LYS 18 46.892 -12.657 -5.277 140 2HZ LYS 18 HZ2 LYS 18 47.904 -12.975 -3.950 141 3HZ LYS 18 HZ3 LYS 18 48.216 -13.701 -5.455 142 H GLU 19 HN GLU 19 45.871 -5.708 -6.627 143 HA GLU 19 HA GLU 19 45.950 -6.893 -9.324 144 1HB GLU 19 HB1 GLU 19 43.756 -5.458 -9.388 145 2HB GLU 19 HB2 GLU 19 44.047 -5.258 -7.660 146 1HG GLU 19 HG1 GLU 19 42.758 -7.196 -7.657 147 2HG GLU 19 HG2 GLU 19 44.379 -7.887 -7.746 148 H ASN 20 HN ASN 20 46.059 -3.610 -7.885 149 HA ASN 20 HA ASN 20 46.582 -2.403 -10.544 150 1HB ASN 20 HB1 ASN 20 46.417 -0.304 -9.246 151 2HB ASN 20 HB2 ASN 20 46.370 -1.237 -7.752 152 1HD2 ASN 20 HD21 ASN 20 44.230 -0.137 -7.440 153 2HD2 ASN 20 HD22 ASN 20 42.858 -0.799 -8.186 154 H ALA 21 HN ALA 21 48.113 -2.082 -7.331 155 HA ALA 21 HA ALA 21 50.546 -0.934 -8.159 156 1HB ALA 21 HB1 ALA 21 49.371 -2.140 -5.809 157 2HB ALA 21 HB2 ALA 21 50.610 -0.891 -5.907 158 3HB ALA 21 HB3 ALA 21 51.071 -2.591 -5.925 159 H ARG 22 HN ARG 22 51.273 -2.042 -10.078 160 HA ARG 22 HA ARG 22 52.523 -4.717 -9.543 161 1HB ARG 22 HB1 ARG 22 50.603 -4.793 -11.083 162 2HB ARG 22 HB2 ARG 22 52.095 -5.165 -11.943 163 1HG ARG 22 HG1 ARG 22 52.205 -2.741 -12.637 164 2HG ARG 22 HG2 ARG 22 50.603 -2.525 -11.929 165 1HD ARG 22 HD1 ARG 22 50.267 -2.970 -14.285 166 2HD ARG 22 HD2 ARG 22 49.845 -4.471 -13.434 167 HE ARG 22 HE ARG 22 52.671 -4.160 -14.283 168 1HH1 ARG 22 HH11 ARG 22 50.241 -4.543 -16.338 169 2HH1 ARG 22 HH12 ARG 22 50.483 -6.218 -16.705 170 1HH2 ARG 22 HH21 ARG 22 52.691 -6.747 -14.088 171 2HH2 ARG 22 HH22 ARG 22 51.870 -7.464 -15.433 172 H SER 23 HN SER 23 52.998 -1.442 -10.654 173 HA SER 23 HA SER 23 55.707 -2.089 -11.721 174 1HB SER 23 HB1 SER 23 53.894 -0.740 -12.957 175 2HB SER 23 HB2 SER 23 55.493 -0.008 -12.869 176 HG SER 23 HG SER 23 54.822 1.321 -11.250 177 HA PRO 24 HA PRO 24 57.569 -0.227 -8.170 178 1HB PRO 24 HB1 PRO 24 59.627 -0.853 -9.032 179 2HB PRO 24 HB2 PRO 24 59.827 0.901 -9.217 180 1HG PRO 24 HG1 PRO 24 60.008 -0.820 -11.283 181 2HG PRO 24 HG2 PRO 24 59.401 0.832 -11.461 182 1HD PRO 24 HD1 PRO 24 57.947 -1.735 -11.564 183 2HD PRO 24 HD2 PRO 24 57.511 -0.156 -12.254 184 H SER 25 HN SER 25 55.519 1.371 -8.678 185 HA SER 25 HA SER 25 56.584 4.105 -8.346 186 1HB SER 25 HB1 SER 25 54.713 3.350 -10.613 187 2HB SER 25 HB2 SER 25 56.431 3.690 -10.804 188 HG SER 25 HG SER 25 56.103 5.772 -10.123 189 H SER 26 HN SER 26 53.621 2.156 -8.866 190 HA SER 26 HA SER 26 51.763 3.916 -7.626 191 1HB SER 26 HB1 SER 26 50.629 1.565 -7.193 192 2HB SER 26 HB2 SER 26 51.970 0.971 -8.165 193 HG SER 26 HG SER 26 50.507 1.468 -9.658 194 H VAL 27 HN VAL 27 53.197 0.963 -6.165 195 HA VAL 27 HA VAL 27 52.331 1.475 -3.503 196 HB VAL 27 HB VAL 27 54.072 -0.205 -2.932 197 1HG1 VAL 27 HG11 VAL 27 53.162 -1.991 -4.249 198 2HG1 VAL 27 HG12 VAL 27 52.756 -0.894 -5.568 199 3HG1 VAL 27 HG13 VAL 27 51.872 -0.806 -4.044 200 1HG2 VAL 27 HG21 VAL 27 55.241 -1.070 -5.189 201 2HG2 VAL 27 HG22 VAL 27 55.986 0.165 -4.173 202 3HG2 VAL 27 HG23 VAL 27 55.088 0.634 -5.617 203 H THR 28 HN THR 28 55.194 2.589 -5.254 204 HA THR 28 HA THR 28 56.515 3.674 -2.876 205 HB THR 28 HB THR 28 57.060 4.360 -5.768 206 HG1 THR 28 HG1 THR 28 57.839 2.021 -4.370 207 1HG2 THR 28 HG21 THR 28 58.648 5.483 -4.558 208 2HG2 THR 28 HG22 THR 28 59.447 3.911 -4.611 209 3HG2 THR 28 HG23 THR 28 58.526 4.385 -3.183 210 H GLY 29 HN GLY 29 54.329 4.871 -5.366 211 1HA GLY 29 HA1 GLY 29 53.777 7.172 -5.854 212 2HA GLY 29 HA2 GLY 29 54.673 7.663 -4.416 213 H ASN 30 HN ASN 30 52.134 8.666 -4.822 214 HA ASN 30 HA ASN 30 50.471 7.164 -2.826 215 1HB ASN 30 HB1 ASN 30 49.823 9.434 -2.015 216 2HB ASN 30 HB2 ASN 30 50.929 10.142 -3.192 217 1HD2 ASN 30 HD21 ASN 30 52.328 11.025 -1.500 218 2HD2 ASN 30 HD22 ASN 30 53.311 10.018 -0.551 219 H ALA 31 HN ALA 31 50.386 7.169 -5.839 220 HA ALA 31 HA ALA 31 47.912 8.675 -6.470 221 1HB ALA 31 HB1 ALA 31 48.433 7.986 -8.742 222 2HB ALA 31 HB2 ALA 31 49.586 6.787 -8.159 223 3HB ALA 31 HB3 ALA 31 49.932 8.506 -7.974 224 H LEU 32 HN LEU 32 48.999 5.251 -6.708 225 HA LEU 32 HA LEU 32 46.495 4.067 -7.311 226 1HB LEU 32 HB1 LEU 32 48.283 2.608 -5.446 227 2HB LEU 32 HB2 LEU 32 49.074 3.242 -6.894 228 HG LEU 32 HG LEU 32 46.514 1.629 -6.956 229 1HD1 LEU 32 HD11 LEU 32 46.546 2.394 -9.086 230 2HD1 LEU 32 HD12 LEU 32 47.911 1.305 -9.334 231 3HD1 LEU 32 HD13 LEU 32 48.196 2.999 -8.934 232 1HD2 LEU 32 HD21 LEU 32 48.850 0.227 -7.934 233 2HD2 LEU 32 HD22 LEU 32 47.706 -0.263 -6.687 234 3HD2 LEU 32 HD23 LEU 32 49.103 0.716 -6.259 235 H TRP 33 HN TRP 33 47.905 5.001 -4.215 236 HA TRP 33 HA TRP 33 45.809 3.840 -2.561 237 1HB TRP 33 HB1 TRP 33 47.004 4.976 -0.773 238 2HB TRP 33 HB2 TRP 33 47.774 6.071 -1.919 239 HD1 TRP 33 HD1 TRP 33 49.936 5.285 -3.088 240 HE1 TRP 33 HE1 TRP 33 51.377 3.153 -2.985 241 HE3 TRP 33 HE3 TRP 33 46.835 2.256 -0.388 242 HZ2 TRP 33 HZ2 TRP 33 51.232 0.517 -1.911 243 HZ3 TRP 33 HZ3 TRP 33 47.517 -0.063 0.162 244 HH2 TRP 33 HH2 TRP 33 49.710 -0.936 -0.594 245 H LYS 34 HN LYS 34 46.592 7.121 -3.727 246 HA LYS 34 HA LYS 34 44.436 8.540 -2.511 247 1HB LYS 34 HB1 LYS 34 44.868 9.892 -4.812 248 2HB LYS 34 HB2 LYS 34 46.290 8.849 -4.827 249 1HG LYS 34 HG1 LYS 34 46.960 9.649 -2.638 250 2HG LYS 34 HG2 LYS 34 45.462 10.559 -2.468 251 1HD LYS 34 HD1 LYS 34 46.191 11.757 -4.649 252 2HD LYS 34 HD2 LYS 34 47.790 11.091 -4.311 253 1HE LYS 34 HE1 LYS 34 48.095 12.445 -2.454 254 2HE LYS 34 HE2 LYS 34 46.363 12.482 -2.071 255 1HZ LYS 34 HZ1 LYS 34 47.551 13.722 -4.499 256 2HZ LYS 34 HZ2 LYS 34 47.265 14.583 -3.063 257 3HZ LYS 34 HZ3 LYS 34 45.967 13.905 -3.923 258 H ALA 35 HN ALA 35 44.655 6.840 -5.634 259 HA ALA 35 HA ALA 35 42.079 7.505 -6.670 260 1HB ALA 35 HB1 ALA 35 44.113 6.356 -7.754 261 2HB ALA 35 HB2 ALA 35 42.528 5.720 -8.197 262 3HB ALA 35 HB3 ALA 35 43.523 4.866 -7.016 263 H MET 36 HN MET 36 43.143 5.003 -4.401 264 HA MET 36 HA MET 36 40.645 3.544 -4.293 265 1HB MET 36 HB1 MET 36 42.917 3.856 -2.297 266 2HB MET 36 HB2 MET 36 42.847 2.659 -3.588 267 1HG MET 36 HG1 MET 36 40.429 2.275 -2.300 268 2HG MET 36 HG2 MET 36 41.502 2.682 -0.962 269 1HE MET 36 HE1 MET 36 43.651 2.006 -0.745 270 2HE MET 36 HE2 MET 36 44.528 0.933 -1.832 271 3HE MET 36 HE3 MET 36 43.831 0.293 -0.346 272 H GLU 37 HN GLU 37 42.031 6.235 -2.417 273 HA GLU 37 HA GLU 37 40.146 6.464 -0.332 274 1HB GLU 37 HB1 GLU 37 41.287 8.812 -1.851 275 2HB GLU 37 HB2 GLU 37 42.316 7.761 -0.878 276 1HG GLU 37 HG1 GLU 37 41.039 8.261 1.117 277 2HG GLU 37 HG2 GLU 37 39.832 9.142 0.180 278 H LYS 38 HN LYS 38 39.903 7.577 -3.698 279 HA LYS 38 HA LYS 38 37.363 8.971 -3.278 280 1HB LYS 38 HB1 LYS 38 37.603 8.644 -5.960 281 2HB LYS 38 HB2 LYS 38 39.273 8.354 -5.469 282 1HG LYS 38 HG1 LYS 38 39.019 10.512 -4.061 283 2HG LYS 38 HG2 LYS 38 37.585 10.821 -5.039 284 1HD LYS 38 HD1 LYS 38 38.938 10.702 -7.087 285 2HD LYS 38 HD2 LYS 38 40.374 10.329 -6.131 286 1HE LYS 38 HE1 LYS 38 39.554 12.610 -4.888 287 2HE LYS 38 HE2 LYS 38 39.002 12.930 -6.545 288 1HZ LYS 38 HZ1 LYS 38 41.228 12.196 -7.305 289 2HZ LYS 38 HZ2 LYS 38 41.725 12.084 -5.685 290 3HZ LYS 38 HZ3 LYS 38 41.294 13.590 -6.342 291 H SER 39 HN SER 39 38.368 5.749 -4.308 292 HA SER 39 HA SER 39 35.518 4.876 -4.241 293 1HB SER 39 HB1 SER 39 36.345 3.526 -6.406 294 2HB SER 39 HB2 SER 39 37.423 4.912 -6.543 295 HG SER 39 HG SER 39 35.629 6.275 -6.478 296 H SER 40 HN SER 40 36.867 4.171 -2.142 297 HA SER 40 HA SER 40 38.506 1.746 -2.568 298 1HB SER 40 HB1 SER 40 37.731 3.547 -0.280 299 2HB SER 40 HB2 SER 40 39.338 3.196 -0.908 300 HG SER 40 HG SER 40 39.406 1.349 0.148 301 H LEU 41 HN LEU 41 37.978 -0.183 -1.151 302 HA LEU 41 HA LEU 41 35.158 -0.957 -1.516 303 1HB LEU 41 HB1 LEU 41 37.267 -2.607 -0.151 304 2HB LEU 41 HB2 LEU 41 37.440 -2.258 -1.872 305 HG LEU 41 HG LEU 41 34.862 -3.004 -1.867 306 1HD1 LEU 41 HD11 LEU 41 36.741 -5.303 -1.716 307 2HD1 LEU 41 HD12 LEU 41 37.167 -4.025 -2.854 308 3HD1 LEU 41 HD13 LEU 41 35.615 -4.850 -2.996 309 1HD2 LEU 41 HD21 LEU 41 36.143 -4.329 0.532 310 2HD2 LEU 41 HD22 LEU 41 34.766 -5.043 -0.307 311 3HD2 LEU 41 HD23 LEU 41 34.609 -3.463 0.461 312 H THR 42 HN THR 42 37.369 -0.118 1.097 313 HA THR 42 HA THR 42 35.163 -0.536 3.093 314 HB THR 42 HB THR 42 38.038 -0.266 3.888 315 HG1 THR 42 HG1 THR 42 36.925 -2.526 2.592 316 1HG2 THR 42 HG21 THR 42 37.088 -0.957 5.803 317 2HG2 THR 42 HG22 THR 42 36.795 -2.518 5.038 318 3HG2 THR 42 HG23 THR 42 35.553 -1.266 4.989 319 H GLN 43 HN GLN 43 36.586 1.012 5.126 320 HA GLN 43 HA GLN 43 36.292 3.764 3.971 321 1HB GLN 43 HB1 GLN 43 35.507 4.359 6.255 322 2HB GLN 43 HB2 GLN 43 35.725 2.682 6.749 323 1HG GLN 43 HG1 GLN 43 34.108 3.027 4.300 324 2HG GLN 43 HG2 GLN 43 33.386 3.724 5.751 325 1HE2 GLN 43 HE21 GLN 43 32.305 2.271 7.104 326 2HE2 GLN 43 HE22 GLN 43 32.474 0.583 7.045 327 H HIS 44 HN HIS 44 38.442 4.354 3.628 328 HA HIS 44 HA HIS 44 40.093 4.848 5.993 329 1HB HIS 44 HB1 HIS 44 41.865 3.346 4.409 330 2HB HIS 44 HB2 HIS 44 40.355 2.429 4.368 331 HD1 HIS 44 HD1 HIS 44 42.895 3.820 6.796 332 HD2 HIS 44 HD2 HIS 44 39.639 1.217 6.803 333 HE1 HIS 44 HE1 HIS 44 42.870 2.721 9.069 334 H SER 45 HN SER 45 41.903 6.209 5.504 335 HA SER 45 HA SER 45 41.563 7.879 3.123 336 1HB SER 45 HB1 SER 45 42.334 9.151 4.889 337 2HB SER 45 HB2 SER 45 43.896 8.693 4.220 338 HG SER 45 HG SER 45 42.855 8.065 6.603 339 H TRP 46 HN TRP 46 44.020 8.411 2.140 340 HA TRP 46 HA TRP 46 44.778 5.851 0.858 341 1HB TRP 46 HB1 TRP 46 44.249 8.060 -0.333 342 2HB TRP 46 HB2 TRP 46 45.747 7.274 -0.817 343 HD1 TRP 46 HD1 TRP 46 44.433 10.489 0.517 344 HE1 TRP 46 HE1 TRP 46 46.395 12.066 1.089 345 HE3 TRP 46 HE3 TRP 46 48.313 7.192 0.234 346 HZ2 TRP 46 HZ2 TRP 46 49.243 11.937 1.388 347 HZ3 TRP 46 HZ3 TRP 46 50.638 7.938 0.665 348 HH2 TRP 46 HH2 TRP 46 51.106 10.304 1.244 349 H GLN 47 HN GLN 47 46.112 8.325 2.985 350 HA GLN 47 HA GLN 47 48.863 7.507 2.947 351 1HB GLN 47 HB1 GLN 47 47.306 8.741 5.236 352 2HB GLN 47 HB2 GLN 47 47.802 9.654 3.811 353 1HG GLN 47 HG1 GLN 47 50.026 9.619 4.401 354 2HG GLN 47 HG2 GLN 47 49.899 8.040 5.182 355 1HE2 GLN 47 HE21 GLN 47 47.918 10.979 5.795 356 2HE2 GLN 47 HE22 GLN 47 48.363 11.124 7.426 357 H SER 48 HN SER 48 46.221 6.717 5.240 358 HA SER 48 HA SER 48 47.666 5.003 6.977 359 1HB SER 48 HB1 SER 48 44.786 4.745 6.053 360 2HB SER 48 HB2 SER 48 45.338 5.925 7.239 361 HG SER 48 HG SER 48 45.597 4.415 8.687 362 H LEU 49 HN LEU 49 46.385 4.421 3.759 363 HA LEU 49 HA LEU 49 46.727 1.496 3.915 364 1HB LEU 49 HB1 LEU 49 45.892 1.594 1.614 365 2HB LEU 49 HB2 LEU 49 46.168 3.334 1.557 366 HG LEU 49 HG LEU 49 44.514 3.637 3.375 367 1HD1 LEU 49 HD11 LEU 49 43.998 3.421 0.789 368 2HD1 LEU 49 HD12 LEU 49 42.673 3.524 1.948 369 3HD1 LEU 49 HD13 LEU 49 43.149 1.959 1.293 370 1HD2 LEU 49 HD21 LEU 49 44.346 0.631 3.099 371 2HD2 LEU 49 HD22 LEU 49 43.007 1.568 3.761 372 3HD2 LEU 49 HD23 LEU 49 44.576 1.582 4.567 373 H LYS 50 HN LYS 50 48.378 4.307 2.530 374 HA LYS 50 HA LYS 50 50.397 2.780 1.087 375 1HB LYS 50 HB1 LYS 50 50.563 5.643 2.052 376 2HB LYS 50 HB2 LYS 50 49.512 5.176 0.715 377 1HG LYS 50 HG1 LYS 50 51.404 5.644 -0.504 378 2HG LYS 50 HG2 LYS 50 51.784 3.972 -0.087 379 1HD LYS 50 HD1 LYS 50 53.180 4.658 1.740 380 2HD LYS 50 HD2 LYS 50 52.610 6.324 1.634 381 1HE LYS 50 HE1 LYS 50 53.555 6.153 -0.842 382 2HE LYS 50 HE2 LYS 50 54.548 4.862 -0.135 383 1HZ LYS 50 HZ1 LYS 50 54.212 7.577 1.042 384 2HZ LYS 50 HZ2 LYS 50 55.539 7.117 0.085 385 3HZ LYS 50 HZ3 LYS 50 55.263 6.361 1.581 386 H ASP 51 HN ASP 51 50.228 4.417 4.239 387 HA ASP 51 HA ASP 51 52.988 4.063 4.977 388 1HB ASP 51 HB1 ASP 51 50.735 4.105 6.963 389 2HB ASP 51 HB2 ASP 51 50.982 5.510 5.924 390 H ARG 52 HN ARG 52 50.057 2.184 5.851 391 HA ARG 52 HA ARG 52 51.386 0.185 7.399 392 1HB ARG 52 HB1 ARG 52 49.029 -0.634 5.808 393 2HB ARG 52 HB2 ARG 52 48.814 0.855 6.730 394 1HG ARG 52 HG1 ARG 52 48.209 -0.730 8.324 395 2HG ARG 52 HG2 ARG 52 49.931 -0.564 8.669 396 1HD ARG 52 HD1 ARG 52 49.614 -2.916 8.534 397 2HD ARG 52 HD2 ARG 52 50.211 -2.501 6.915 398 HE ARG 52 HE ARG 52 47.665 -2.284 6.363 399 1HH1 ARG 52 HH11 ARG 52 47.679 -4.835 5.676 400 2HH1 ARG 52 HH12 ARG 52 46.978 -5.779 6.947 401 1HH2 ARG 52 HH21 ARG 52 47.325 -3.299 9.344 402 2HH2 ARG 52 HH22 ARG 52 46.776 -4.909 9.022 403 H TYR 53 HN TYR 53 50.955 0.540 3.913 404 HA TYR 53 HA TYR 53 51.558 -2.142 3.138 405 1HB TYR 53 HB1 TYR 53 52.318 0.338 1.593 406 2HB TYR 53 HB2 TYR 53 50.635 -0.157 1.779 407 HD1 TYR 53 HD1 TYR 53 50.430 -2.905 1.516 408 HD2 TYR 53 HD2 TYR 53 53.288 -0.345 -0.415 409 HE1 TYR 53 HE1 TYR 53 50.732 -4.595 -0.269 410 HE2 TYR 53 HE2 TYR 53 53.590 -2.035 -2.203 411 HH TYR 53 HH TYR 53 53.278 -4.607 -2.369 412 H LEU 54 HN LEU 54 53.752 0.684 2.951 413 HA LEU 54 HA LEU 54 56.143 -0.899 2.659 414 1HB LEU 54 HB1 LEU 54 57.176 1.373 3.310 415 2HB LEU 54 HB2 LEU 54 55.516 1.955 3.435 416 HG LEU 54 HG LEU 54 55.370 0.757 1.026 417 1HD1 LEU 54 HD11 LEU 54 54.781 2.897 0.637 418 2HD1 LEU 54 HD12 LEU 54 56.487 3.288 0.435 419 3HD1 LEU 54 HD13 LEU 54 55.723 3.460 2.015 420 1HD2 LEU 54 HD21 LEU 54 57.540 1.438 -0.165 421 2HD2 LEU 54 HD22 LEU 54 57.626 0.007 0.862 422 3HD2 LEU 54 HD23 LEU 54 58.260 1.547 1.442 423 H LYS 55 HN LYS 55 54.283 0.064 5.454 424 HA LYS 55 HA LYS 55 56.318 0.029 7.461 425 1HB LYS 55 HB1 LYS 55 54.029 -0.850 8.705 426 2HB LYS 55 HB2 LYS 55 53.376 -0.107 7.244 427 1HG LYS 55 HG1 LYS 55 54.393 1.996 7.750 428 2HG LYS 55 HG2 LYS 55 55.405 1.284 9.007 429 1HD LYS 55 HD1 LYS 55 52.931 0.594 9.914 430 2HD LYS 55 HD2 LYS 55 52.558 2.116 9.104 431 1HE LYS 55 HE1 LYS 55 53.727 3.354 10.649 432 2HE LYS 55 HE2 LYS 55 54.998 2.125 10.810 433 1HZ LYS 55 HZ1 LYS 55 52.244 2.050 11.937 434 2HZ LYS 55 HZ2 LYS 55 53.704 2.106 12.805 435 3HZ LYS 55 HZ3 LYS 55 53.288 0.712 11.927 436 H HIS 56 HN HIS 56 54.057 -2.609 6.489 437 HA HIS 56 HA HIS 56 56.158 -4.603 7.062 438 1HB HIS 56 HB1 HIS 56 55.480 -4.646 9.257 439 2HB HIS 56 HB2 HIS 56 54.267 -5.737 8.613 440 HD1 HIS 56 HD1 HIS 56 54.325 -3.251 10.957 441 HD2 HIS 56 HD2 HIS 56 52.023 -3.671 7.509 442 HE1 HIS 56 HE1 HIS 56 52.301 -1.765 11.265 443 H LEU 57 HN LEU 57 54.741 -3.985 4.646 444 HA LEU 57 HA LEU 57 53.382 -6.617 4.208 445 1HB LEU 57 HB1 LEU 57 51.708 -5.375 2.810 446 2HB LEU 57 HB2 LEU 57 52.439 -3.866 3.347 447 HG LEU 57 HG LEU 57 51.960 -4.523 5.704 448 1HD1 LEU 57 HD11 LEU 57 49.509 -4.579 3.918 449 2HD1 LEU 57 HD12 LEU 57 50.379 -3.116 4.372 450 3HD1 LEU 57 HD13 LEU 57 49.565 -4.073 5.606 451 1HD2 LEU 57 HD21 LEU 57 49.995 -6.433 5.554 452 2HD2 LEU 57 HD22 LEU 57 51.672 -6.774 5.971 453 3HD2 LEU 57 HD23 LEU 57 51.115 -6.994 4.313 454 H ARG 58 HN ARG 58 54.778 -3.704 2.678 455 HA ARG 58 HA ARG 58 55.156 -4.752 0.055 456 1HB ARG 58 HB1 ARG 58 57.137 -2.895 1.331 457 2HB ARG 58 HB2 ARG 58 55.458 -2.372 1.195 458 1HG ARG 58 HG1 ARG 58 56.184 -1.652 -0.862 459 2HG ARG 58 HG2 ARG 58 55.821 -3.320 -1.302 460 1HD ARG 58 HD1 ARG 58 58.010 -3.717 -1.760 461 2HD ARG 58 HD2 ARG 58 58.498 -3.122 -0.162 462 HE ARG 58 HE ARG 58 57.726 -1.073 -2.159 463 1HH1 ARG 58 HH11 ARG 58 59.726 -1.646 0.393 464 2HH1 ARG 58 HH12 ARG 58 61.174 -1.032 -0.335 465 1HH2 ARG 58 HH21 ARG 58 59.792 -0.788 -3.507 466 2HH2 ARG 58 HH22 ARG 58 61.210 -0.545 -2.542 467 H GLY 59 HN GLY 59 56.022 -6.872 0.065 468 1HA GLY 59 HA1 GLY 59 57.923 -8.116 1.545 469 2HA GLY 59 HA2 GLY 59 58.920 -7.037 0.569 Start of MODEL 25 1 1H GLY 1 HT1 GLY 1 40.640 10.102 8.327 2 2H GLY 1 HT2 GLY 1 39.823 11.494 8.856 3 3H GLY 1 HT3 GLY 1 38.946 10.157 8.285 4 1HA GLY 1 HA1 GLY 1 38.715 9.875 10.534 5 2HA GLY 1 HA2 GLY 1 40.324 10.525 10.854 6 H ARG 2 HN ARG 2 40.260 8.381 12.180 7 HA ARG 2 HA ARG 2 41.468 6.235 10.481 8 1HB ARG 2 HB1 ARG 2 42.916 7.232 12.184 9 2HB ARG 2 HB2 ARG 2 42.544 5.570 12.636 10 1HG ARG 2 HG1 ARG 2 40.493 6.865 13.861 11 2HG ARG 2 HG2 ARG 2 41.732 8.115 13.932 12 1HD ARG 2 HD1 ARG 2 42.973 5.620 14.632 13 2HD ARG 2 HD2 ARG 2 41.489 5.788 15.587 14 HE ARG 2 HE ARG 2 42.585 7.526 16.748 15 1HH1 ARG 2 HH11 ARG 2 44.463 6.744 13.995 16 2HH1 ARG 2 HH12 ARG 2 45.364 8.221 14.014 17 1HH2 ARG 2 HH21 ARG 2 43.524 9.638 16.586 18 2HH2 ARG 2 HH22 ARG 2 44.837 9.854 15.477 19 H ILE 3 HN ILE 3 40.778 4.064 10.766 20 HA ILE 3 HA ILE 3 38.398 3.610 12.525 21 HB ILE 3 HB ILE 3 38.685 2.820 9.604 22 1HG1 ILE 3 HG11 ILE 3 37.537 5.190 10.972 23 2HG1 ILE 3 HG12 ILE 3 36.501 4.456 9.746 24 1HG2 ILE 3 HG21 ILE 3 37.259 1.206 10.452 25 2HG2 ILE 3 HG22 ILE 3 36.093 2.484 10.105 26 3HG2 ILE 3 HG23 ILE 3 36.681 2.250 11.752 27 1HD1 ILE 3 HD11 ILE 3 39.319 5.513 9.403 28 2HD1 ILE 3 HD12 ILE 3 37.851 6.081 8.609 29 3HD1 ILE 3 HD13 ILE 3 38.522 4.504 8.195 30 H ALA 4 HN ALA 4 41.209 2.828 12.838 31 HA ALA 4 HA ALA 4 42.509 0.921 13.343 32 1HB ALA 4 HB1 ALA 4 39.640 0.029 13.693 33 2HB ALA 4 HB2 ALA 4 40.779 0.539 14.939 34 3HB ALA 4 HB3 ALA 4 40.997 -1.011 14.126 35 H PHE 5 HN PHE 5 42.301 -1.742 12.787 36 HA PHE 5 HA PHE 5 41.629 -2.034 9.899 37 1HB PHE 5 HB1 PHE 5 43.991 -3.090 9.699 38 2HB PHE 5 HB2 PHE 5 44.338 -2.257 11.215 39 HD1 PHE 5 HD1 PHE 5 43.504 -1.835 7.646 40 HD2 PHE 5 HD2 PHE 5 44.449 0.171 11.325 41 HE1 PHE 5 HE1 PHE 5 43.875 0.277 6.400 42 HE2 PHE 5 HE2 PHE 5 44.820 2.283 10.079 43 HZ PHE 5 HZ PHE 5 44.533 2.336 7.616 44 H THR 6 HN THR 6 41.250 -4.213 9.303 45 HA THR 6 HA THR 6 41.462 -6.275 11.463 46 HB THR 6 HB THR 6 39.158 -6.975 10.866 47 HG1 THR 6 HG1 THR 6 39.297 -4.710 9.167 48 1HG2 THR 6 HG21 THR 6 38.250 -5.474 12.302 49 2HG2 THR 6 HG22 THR 6 38.674 -4.104 11.276 50 3HG2 THR 6 HG23 THR 6 39.871 -4.784 12.377 51 H ASP 7 HN ASP 7 40.355 -8.392 10.043 52 HA ASP 7 HA ASP 7 42.480 -9.047 8.160 53 1HB ASP 7 HB1 ASP 7 40.956 -11.129 7.936 54 2HB ASP 7 HB2 ASP 7 39.955 -10.365 9.170 55 H ALA 8 HN ALA 8 39.171 -7.885 7.913 56 HA ALA 8 HA ALA 8 38.752 -8.547 5.122 57 1HB ALA 8 HB1 ALA 8 37.108 -6.427 5.668 58 2HB ALA 8 HB2 ALA 8 37.475 -6.996 7.297 59 3HB ALA 8 HB3 ALA 8 36.745 -8.091 6.122 60 H ASP 9 HN ASP 9 39.933 -5.653 6.831 61 HA ASP 9 HA ASP 9 40.124 -3.952 4.510 62 1HB ASP 9 HB1 ASP 9 41.863 -2.852 6.189 63 2HB ASP 9 HB2 ASP 9 41.180 -4.024 7.316 64 H ASP 10 HN ASP 10 42.495 -6.051 6.177 65 HA ASP 10 HA ASP 10 44.785 -5.383 4.619 66 1HB ASP 10 HB1 ASP 10 45.286 -7.918 5.290 67 2HB ASP 10 HB2 ASP 10 43.842 -7.691 6.276 68 H VAL 11 HN VAL 11 42.217 -7.789 4.054 69 HA VAL 11 HA VAL 11 43.403 -8.979 1.705 70 HB VAL 11 HB VAL 11 40.518 -8.747 2.639 71 1HG1 VAL 11 HG11 VAL 11 40.151 -9.622 0.561 72 2HG1 VAL 11 HG12 VAL 11 40.695 -11.120 1.315 73 3HG1 VAL 11 HG13 VAL 11 41.824 -10.147 0.374 74 1HG2 VAL 11 HG21 VAL 11 42.371 -9.815 4.148 75 2HG2 VAL 11 HG22 VAL 11 42.318 -11.138 2.983 76 3HG2 VAL 11 HG23 VAL 11 40.869 -10.703 3.891 77 H ALA 12 HN ALA 12 40.941 -6.420 2.145 78 HA ALA 12 HA ALA 12 40.472 -5.919 -0.643 79 1HB ALA 12 HB1 ALA 12 38.920 -5.167 1.024 80 2HB ALA 12 HB2 ALA 12 39.621 -3.708 0.323 81 3HB ALA 12 HB3 ALA 12 40.180 -4.289 1.891 82 H ILE 13 HN ILE 13 42.657 -4.329 1.704 83 HA ILE 13 HA ILE 13 43.720 -2.355 -0.075 84 HB ILE 13 HB ILE 13 44.896 -3.787 2.336 85 1HG1 ILE 13 HG11 ILE 13 42.684 -2.494 2.532 86 2HG1 ILE 13 HG12 ILE 13 43.627 -1.045 2.186 87 1HG2 ILE 13 HG21 ILE 13 46.146 -1.483 2.467 88 2HG2 ILE 13 HG22 ILE 13 45.817 -1.407 0.736 89 3HG2 ILE 13 HG23 ILE 13 46.770 -2.736 1.396 90 1HD1 ILE 13 HD11 ILE 13 45.143 -1.691 4.107 91 2HD1 ILE 13 HD12 ILE 13 43.982 -2.957 4.511 92 3HD1 ILE 13 HD13 ILE 13 43.501 -1.261 4.585 93 H LEU 14 HN LEU 14 45.057 -5.562 0.840 94 HA LEU 14 HA LEU 14 47.277 -5.480 -0.983 95 1HB LEU 14 HB1 LEU 14 45.727 -7.728 0.348 96 2HB LEU 14 HB2 LEU 14 47.209 -6.972 0.928 97 HG LEU 14 HG LEU 14 46.939 -8.589 -1.627 98 1HD1 LEU 14 HD11 LEU 14 49.396 -7.415 -0.281 99 2HD1 LEU 14 HD12 LEU 14 48.637 -6.771 -1.736 100 3HD1 LEU 14 HD13 LEU 14 49.381 -8.370 -1.765 101 1HD2 LEU 14 HD21 LEU 14 48.720 -9.424 0.608 102 2HD2 LEU 14 HD22 LEU 14 47.753 -10.411 -0.488 103 3HD2 LEU 14 HD23 LEU 14 46.988 -9.607 0.881 104 H THR 15 HN THR 15 44.197 -7.320 -1.255 105 HA THR 15 HA THR 15 44.484 -8.286 -3.881 106 HB THR 15 HB THR 15 41.983 -7.269 -2.489 107 HG1 THR 15 HG1 THR 15 43.341 -9.754 -2.437 108 1HG2 THR 15 HG21 THR 15 41.185 -7.775 -4.591 109 2HG2 THR 15 HG22 THR 15 41.151 -9.392 -3.885 110 3HG2 THR 15 HG23 THR 15 42.491 -8.912 -4.927 111 H TYR 16 HN TYR 16 43.352 -5.087 -2.819 112 HA TYR 16 HA TYR 16 42.550 -4.151 -5.437 113 1HB TYR 16 HB1 TYR 16 43.380 -2.750 -2.868 114 2HB TYR 16 HB2 TYR 16 41.738 -3.175 -3.348 115 HD1 TYR 16 HD1 TYR 16 44.645 -1.018 -4.154 116 HD2 TYR 16 HD2 TYR 16 40.485 -1.805 -4.869 117 HE1 TYR 16 HE1 TYR 16 44.443 1.144 -5.349 118 HE2 TYR 16 HE2 TYR 16 40.280 0.357 -6.066 119 HH TYR 16 HH TYR 16 42.570 1.973 -7.344 120 H VAL 17 HN VAL 17 45.518 -3.708 -3.496 121 HA VAL 17 HA VAL 17 46.928 -2.085 -5.390 122 HB VAL 17 HB VAL 17 47.892 -3.993 -3.232 123 1HG1 VAL 17 HG11 VAL 17 49.277 -1.870 -4.865 124 2HG1 VAL 17 HG12 VAL 17 49.817 -3.510 -4.505 125 3HG1 VAL 17 HG13 VAL 17 49.844 -2.276 -3.244 126 1HG2 VAL 17 HG21 VAL 17 47.563 -2.292 -1.713 127 2HG2 VAL 17 HG22 VAL 17 46.280 -1.880 -2.849 128 3HG2 VAL 17 HG23 VAL 17 47.821 -1.027 -2.913 129 H LYS 18 HN LYS 18 47.345 -5.589 -4.691 130 HA LYS 18 HA LYS 18 49.153 -6.198 -6.776 131 1HB LYS 18 HB1 LYS 18 46.900 -7.947 -5.752 132 2HB LYS 18 HB2 LYS 18 48.376 -7.629 -4.839 133 1HG LYS 18 HG1 LYS 18 49.722 -8.783 -6.387 134 2HG LYS 18 HG2 LYS 18 48.522 -8.643 -7.673 135 1HD LYS 18 HD1 LYS 18 48.366 -10.902 -6.962 136 2HD LYS 18 HD2 LYS 18 47.013 -10.097 -6.168 137 1HE LYS 18 HE1 LYS 18 49.516 -10.001 -4.607 138 2HE LYS 18 HE2 LYS 18 48.885 -11.640 -4.860 139 1HZ LYS 18 HZ1 LYS 18 47.889 -10.456 -2.923 140 2HZ LYS 18 HZ2 LYS 18 46.747 -10.941 -4.083 141 3HZ LYS 18 HZ3 LYS 18 47.237 -9.317 -3.997 142 H GLU 19 HN GLU 19 45.724 -5.518 -6.972 143 HA GLU 19 HA GLU 19 45.379 -6.770 -9.609 144 1HB GLU 19 HB1 GLU 19 43.204 -5.165 -9.163 145 2HB GLU 19 HB2 GLU 19 43.783 -5.424 -7.519 146 1HG GLU 19 HG1 GLU 19 43.952 -7.943 -8.311 147 2HG GLU 19 HG2 GLU 19 42.777 -7.425 -9.518 148 H ASN 20 HN ASN 20 46.276 -3.604 -8.382 149 HA ASN 20 HA ASN 20 45.962 -2.474 -11.152 150 1HB ASN 20 HB1 ASN 20 45.690 -0.325 -10.069 151 2HB ASN 20 HB2 ASN 20 46.162 -0.997 -8.513 152 1HD2 ASN 20 HD21 ASN 20 44.142 -0.480 -7.474 153 2HD2 ASN 20 HD22 ASN 20 42.692 -1.267 -7.873 154 H ALA 21 HN ALA 21 48.012 -2.148 -8.232 155 HA ALA 21 HA ALA 21 50.119 -0.669 -9.295 156 1HB ALA 21 HB1 ALA 21 50.230 -1.027 -7.013 157 2HB ALA 21 HB2 ALA 21 51.442 -2.190 -7.552 158 3HB ALA 21 HB3 ALA 21 49.812 -2.734 -7.158 159 H ARG 22 HN ARG 22 50.859 -4.100 -8.677 160 HA ARG 22 HA ARG 22 52.174 -5.620 -9.922 161 1HB ARG 22 HB1 ARG 22 51.564 -5.492 -12.436 162 2HB ARG 22 HB2 ARG 22 50.483 -4.177 -11.970 163 1HG ARG 22 HG1 ARG 22 49.293 -5.638 -10.430 164 2HG ARG 22 HG2 ARG 22 50.441 -6.945 -10.725 165 1HD ARG 22 HD1 ARG 22 49.366 -6.008 -13.252 166 2HD ARG 22 HD2 ARG 22 48.044 -6.432 -12.148 167 HE ARG 22 HE ARG 22 50.331 -8.269 -12.798 168 1HH1 ARG 22 HH11 ARG 22 48.145 -9.200 -14.280 169 2HH1 ARG 22 HH12 ARG 22 47.201 -10.159 -13.190 170 1HH2 ARG 22 HH21 ARG 22 48.660 -8.832 -10.339 171 2HH2 ARG 22 HH22 ARG 22 47.493 -9.951 -10.960 172 H SER 23 HN SER 23 53.338 -2.947 -9.300 173 HA SER 23 HA SER 23 55.677 -3.091 -11.051 174 1HB SER 23 HB1 SER 23 53.952 -1.903 -12.418 175 2HB SER 23 HB2 SER 23 55.343 -0.884 -12.064 176 HG SER 23 HG SER 23 53.935 0.436 -11.271 177 HA PRO 24 HA PRO 24 57.307 -1.163 -7.414 178 1HB PRO 24 HB1 PRO 24 59.373 -1.981 -8.057 179 2HB PRO 24 HB2 PRO 24 59.710 -0.264 -8.348 180 1HG PRO 24 HG1 PRO 24 59.911 -2.166 -10.262 181 2HG PRO 24 HG2 PRO 24 59.485 -0.485 -10.609 182 1HD PRO 24 HD1 PRO 24 57.817 -2.902 -10.717 183 2HD PRO 24 HD2 PRO 24 57.565 -1.317 -11.478 184 H SER 25 HN SER 25 55.419 0.525 -8.266 185 HA SER 25 HA SER 25 56.648 3.205 -7.986 186 1HB SER 25 HB1 SER 25 54.715 2.762 -10.245 187 2HB SER 25 HB2 SER 25 56.412 2.347 -10.477 188 HG SER 25 HG SER 25 55.550 4.638 -10.878 189 H SER 26 HN SER 26 53.555 1.641 -8.879 190 HA SER 26 HA SER 26 51.800 3.499 -7.638 191 1HB SER 26 HB1 SER 26 50.856 1.937 -9.119 192 2HB SER 26 HB2 SER 26 50.343 1.312 -7.553 193 HG SER 26 HG SER 26 52.101 -0.107 -7.581 194 H VAL 27 HN VAL 27 53.465 0.651 -6.328 195 HA VAL 27 HA VAL 27 52.147 0.791 -3.725 196 HB VAL 27 HB VAL 27 53.783 -1.003 -3.195 197 1HG1 VAL 27 HG11 VAL 27 51.663 -1.364 -4.584 198 2HG1 VAL 27 HG12 VAL 27 52.906 -2.608 -4.723 199 3HG1 VAL 27 HG13 VAL 27 52.719 -1.401 -5.996 200 1HG2 VAL 27 HG21 VAL 27 54.862 -1.044 -5.958 201 2HG2 VAL 27 HG22 VAL 27 55.666 -1.405 -4.432 202 3HG2 VAL 27 HG23 VAL 27 55.459 0.266 -4.945 203 H THR 28 HN THR 28 54.947 2.281 -5.175 204 HA THR 28 HA THR 28 56.096 3.027 -2.537 205 HB THR 28 HB THR 28 57.018 3.583 -5.375 206 HG1 THR 28 HG1 THR 28 57.618 1.592 -5.408 207 1HG2 THR 28 HG21 THR 28 58.629 4.783 -4.366 208 2HG2 THR 28 HG22 THR 28 59.174 3.307 -3.574 209 3HG2 THR 28 HG23 THR 28 58.008 4.358 -2.772 210 H GLY 29 HN GLY 29 54.385 4.419 -5.288 211 1HA GLY 29 HA1 GLY 29 53.954 6.731 -5.764 212 2HA GLY 29 HA2 GLY 29 54.740 7.167 -4.246 213 H ASN 30 HN ASN 30 52.351 8.356 -4.779 214 HA ASN 30 HA ASN 30 50.452 6.962 -2.918 215 1HB ASN 30 HB1 ASN 30 49.766 9.275 -2.327 216 2HB ASN 30 HB2 ASN 30 50.925 9.906 -3.497 217 1HD2 ASN 30 HD21 ASN 30 52.267 10.948 -1.883 218 2HD2 ASN 30 HD22 ASN 30 53.188 10.061 -0.767 219 H ALA 31 HN ALA 31 50.565 6.616 -5.864 220 HA ALA 31 HA ALA 31 48.275 8.166 -6.911 221 1HB ALA 31 HB1 ALA 31 50.040 5.995 -8.090 222 2HB ALA 31 HB2 ALA 31 50.300 7.731 -8.253 223 3HB ALA 31 HB3 ALA 31 48.891 6.976 -8.998 224 H LEU 32 HN LEU 32 49.056 4.670 -6.968 225 HA LEU 32 HA LEU 32 46.444 3.704 -7.422 226 1HB LEU 32 HB1 LEU 32 48.228 2.150 -5.616 227 2HB LEU 32 HB2 LEU 32 48.932 2.657 -7.154 228 HG LEU 32 HG LEU 32 46.185 1.552 -7.322 229 1HD1 LEU 32 HD11 LEU 32 48.723 1.621 -8.874 230 2HD1 LEU 32 HD12 LEU 32 47.061 1.835 -9.423 231 3HD1 LEU 32 HD13 LEU 32 47.687 0.215 -9.120 232 1HD2 LEU 32 HD21 LEU 32 46.607 -0.589 -6.638 233 2HD2 LEU 32 HD22 LEU 32 47.808 0.192 -5.612 234 3HD2 LEU 32 HD23 LEU 32 48.294 -0.529 -7.145 235 H TRP 33 HN TRP 33 47.942 4.800 -4.439 236 HA TRP 33 HA TRP 33 45.901 3.697 -2.662 237 1HB TRP 33 HB1 TRP 33 47.145 4.944 -0.968 238 2HB TRP 33 HB2 TRP 33 47.926 5.920 -2.210 239 HD1 TRP 33 HD1 TRP 33 50.107 5.035 -3.210 240 HE1 TRP 33 HE1 TRP 33 51.445 2.842 -3.029 241 HE3 TRP 33 HE3 TRP 33 46.773 2.176 -0.600 242 HZ2 TRP 33 HZ2 TRP 33 51.141 0.228 -1.935 243 HZ3 TRP 33 HZ3 TRP 33 47.329 -0.165 -0.004 244 HH2 TRP 33 HH2 TRP 33 49.507 -1.141 -0.661 245 H LYS 34 HN LYS 34 46.741 7.022 -3.729 246 HA LYS 34 HA LYS 34 44.568 8.423 -2.596 247 1HB LYS 34 HB1 LYS 34 44.991 9.811 -4.849 248 2HB LYS 34 HB2 LYS 34 46.378 8.726 -4.961 249 1HG LYS 34 HG1 LYS 34 47.355 10.345 -3.662 250 2HG LYS 34 HG2 LYS 34 46.581 9.440 -2.364 251 1HD LYS 34 HD1 LYS 34 44.853 11.001 -2.135 252 2HD LYS 34 HD2 LYS 34 45.049 11.604 -3.782 253 1HE LYS 34 HE1 LYS 34 47.455 12.311 -2.857 254 2HE LYS 34 HE2 LYS 34 46.588 12.302 -1.308 255 1HZ LYS 34 HZ1 LYS 34 45.786 13.724 -3.800 256 2HZ LYS 34 HZ2 LYS 34 46.328 14.445 -2.361 257 3HZ LYS 34 HZ3 LYS 34 44.835 13.636 -2.399 258 H ALA 35 HN ALA 35 44.752 6.707 -5.722 259 HA ALA 35 HA ALA 35 42.144 7.402 -6.694 260 1HB ALA 35 HB1 ALA 35 42.515 5.395 -8.133 261 2HB ALA 35 HB2 ALA 35 43.881 4.943 -7.114 262 3HB ALA 35 HB3 ALA 35 43.942 6.427 -8.064 263 H MET 36 HN MET 36 43.314 4.861 -4.531 264 HA MET 36 HA MET 36 40.937 3.263 -4.402 265 1HB MET 36 HB1 MET 36 42.750 3.722 -2.048 266 2HB MET 36 HB2 MET 36 43.416 2.991 -3.509 267 1HG MET 36 HG1 MET 36 42.158 1.066 -3.282 268 2HG MET 36 HG2 MET 36 40.842 1.896 -2.454 269 1HE MET 36 HE1 MET 36 44.875 0.574 -0.733 270 2HE MET 36 HE2 MET 36 44.589 1.392 -2.267 271 3HE MET 36 HE3 MET 36 44.039 -0.267 -2.046 272 H GLU 37 HN GLU 37 42.094 5.894 -2.254 273 HA GLU 37 HA GLU 37 39.978 6.031 -0.423 274 1HB GLU 37 HB1 GLU 37 41.314 8.441 -1.676 275 2HB GLU 37 HB2 GLU 37 42.173 7.346 -0.591 276 1HG GLU 37 HG1 GLU 37 41.378 8.845 0.973 277 2HG GLU 37 HG2 GLU 37 39.988 7.761 0.908 278 H LYS 38 HN LYS 38 40.117 7.468 -3.687 279 HA LYS 38 HA LYS 38 37.675 8.954 -3.579 280 1HB LYS 38 HB1 LYS 38 37.840 8.643 -6.111 281 2HB LYS 38 HB2 LYS 38 39.231 7.603 -5.802 282 1HG LYS 38 HG1 LYS 38 40.015 9.870 -6.247 283 2HG LYS 38 HG2 LYS 38 40.295 9.491 -4.547 284 1HD LYS 38 HD1 LYS 38 38.620 10.921 -3.815 285 2HD LYS 38 HD2 LYS 38 37.696 10.771 -5.311 286 1HE LYS 38 HE1 LYS 38 39.303 12.184 -6.494 287 2HE LYS 38 HE2 LYS 38 40.346 12.248 -5.058 288 1HZ LYS 38 HZ1 LYS 38 38.547 13.258 -3.826 289 2HZ LYS 38 HZ2 LYS 38 37.498 13.119 -5.155 290 3HZ LYS 38 HZ3 LYS 38 38.827 14.175 -5.225 291 H SER 39 HN SER 39 38.339 5.578 -4.514 292 HA SER 39 HA SER 39 35.380 5.061 -4.484 293 1HB SER 39 HB1 SER 39 36.332 3.070 -5.999 294 2HB SER 39 HB2 SER 39 37.639 4.224 -6.256 295 HG SER 39 HG SER 39 36.076 4.602 -7.792 296 H SER 40 HN SER 40 38.262 2.960 -4.481 297 HA SER 40 HA SER 40 38.880 1.174 -3.072 298 1HB SER 40 HB1 SER 40 37.717 3.289 -1.266 299 2HB SER 40 HB2 SER 40 39.398 2.808 -1.458 300 HG SER 40 HG SER 40 37.408 1.680 0.089 301 H LEU 41 HN LEU 41 37.937 -0.424 -1.401 302 HA LEU 41 HA LEU 41 35.145 -1.108 -2.214 303 1HB LEU 41 HB1 LEU 41 37.329 -2.731 -0.864 304 2HB LEU 41 HB2 LEU 41 37.041 -2.698 -2.604 305 HG LEU 41 HG LEU 41 34.830 -3.390 -0.668 306 1HD1 LEU 41 HD11 LEU 41 34.006 -4.631 -2.674 307 2HD1 LEU 41 HD12 LEU 41 35.391 -4.023 -3.580 308 3HD1 LEU 41 HD13 LEU 41 34.178 -2.900 -2.965 309 1HD2 LEU 41 HD21 LEU 41 37.139 -4.838 -0.692 310 2HD2 LEU 41 HD22 LEU 41 36.264 -5.614 -2.010 311 3HD2 LEU 41 HD23 LEU 41 35.550 -5.545 -0.399 312 H THR 42 HN THR 42 37.241 -0.456 0.538 313 HA THR 42 HA THR 42 34.959 -0.791 2.442 314 HB THR 42 HB THR 42 36.836 -0.785 4.105 315 HG1 THR 42 HG1 THR 42 38.899 -0.596 3.386 316 1HG2 THR 42 HG21 THR 42 37.915 -2.734 2.220 317 2HG2 THR 42 HG22 THR 42 36.154 -2.788 2.293 318 3HG2 THR 42 HG23 THR 42 37.105 -2.997 3.763 319 H GLN 43 HN GLN 43 36.024 0.963 4.432 320 HA GLN 43 HA GLN 43 35.744 3.628 3.085 321 1HB GLN 43 HB1 GLN 43 35.016 3.117 5.951 322 2HB GLN 43 HB2 GLN 43 33.937 2.525 4.686 323 1HG GLN 43 HG1 GLN 43 33.452 4.676 3.917 324 2HG GLN 43 HG2 GLN 43 34.940 5.355 4.577 325 1HE2 GLN 43 HE21 GLN 43 32.216 6.371 5.077 326 2HE2 GLN 43 HE22 GLN 43 31.945 6.237 6.747 327 H HIS 44 HN HIS 44 38.069 3.931 2.941 328 HA HIS 44 HA HIS 44 39.308 4.727 5.524 329 1HB HIS 44 HB1 HIS 44 41.340 3.315 4.246 330 2HB HIS 44 HB2 HIS 44 39.905 2.336 3.929 331 HD1 HIS 44 HD1 HIS 44 41.991 3.700 6.755 332 HD2 HIS 44 HD2 HIS 44 38.791 1.087 6.203 333 HE1 HIS 44 HE1 HIS 44 41.629 2.539 8.972 334 H SER 45 HN SER 45 41.547 5.726 5.058 335 HA SER 45 HA SER 45 41.277 7.600 2.776 336 1HB SER 45 HB1 SER 45 41.953 8.853 4.571 337 2HB SER 45 HB2 SER 45 43.558 8.305 4.109 338 HG SER 45 HG SER 45 42.444 7.902 6.388 339 H TRP 46 HN TRP 46 43.951 8.132 2.185 340 HA TRP 46 HA TRP 46 44.757 5.582 0.861 341 1HB TRP 46 HB1 TRP 46 44.148 7.780 -0.368 342 2HB TRP 46 HB2 TRP 46 45.626 6.965 -0.869 343 HD1 TRP 46 HD1 TRP 46 44.375 10.234 0.364 344 HE1 TRP 46 HE1 TRP 46 46.359 11.813 0.845 345 HE3 TRP 46 HE3 TRP 46 48.221 6.893 0.137 346 HZ2 TRP 46 HZ2 TRP 46 49.210 11.669 1.105 347 HZ3 TRP 46 HZ3 TRP 46 50.559 7.635 0.508 348 HH2 TRP 46 HH2 TRP 46 51.057 10.016 0.990 349 H GLN 47 HN GLN 47 46.024 8.231 2.868 350 HA GLN 47 HA GLN 47 48.773 7.370 2.903 351 1HB GLN 47 HB1 GLN 47 47.396 8.816 5.159 352 2HB GLN 47 HB2 GLN 47 47.584 9.599 3.589 353 1HG GLN 47 HG1 GLN 47 49.869 9.763 3.796 354 2HG GLN 47 HG2 GLN 47 49.995 8.277 4.739 355 1HE2 GLN 47 HE21 GLN 47 47.979 11.204 5.338 356 2HE2 GLN 47 HE22 GLN 47 48.644 11.533 6.864 357 H SER 48 HN SER 48 46.057 6.790 5.157 358 HA SER 48 HA SER 48 47.474 5.290 7.122 359 1HB SER 48 HB1 SER 48 44.613 4.892 6.192 360 2HB SER 48 HB2 SER 48 45.123 6.248 7.195 361 HG SER 48 HG SER 48 45.930 4.695 8.703 362 H LEU 49 HN LEU 49 46.099 4.340 4.011 363 HA LEU 49 HA LEU 49 46.573 1.466 4.471 364 1HB LEU 49 HB1 LEU 49 45.539 1.211 2.315 365 2HB LEU 49 HB2 LEU 49 45.900 2.873 1.868 366 HG LEU 49 HG LEU 49 44.294 3.713 3.495 367 1HD1 LEU 49 HD11 LEU 49 43.009 1.424 1.986 368 2HD1 LEU 49 HD12 LEU 49 43.543 2.913 1.210 369 3HD1 LEU 49 HD13 LEU 49 42.274 2.962 2.433 370 1HD2 LEU 49 HD21 LEU 49 43.816 0.785 4.167 371 2HD2 LEU 49 HD22 LEU 49 42.894 2.145 4.807 372 3HD2 LEU 49 HD23 LEU 49 44.597 1.962 5.222 373 H LYS 50 HN LYS 50 48.116 4.190 2.862 374 HA LYS 50 HA LYS 50 50.049 2.642 1.342 375 1HB LYS 50 HB1 LYS 50 50.020 5.527 2.301 376 2HB LYS 50 HB2 LYS 50 49.321 4.943 0.792 377 1HG LYS 50 HG1 LYS 50 51.361 5.551 -0.051 378 2HG LYS 50 HG2 LYS 50 51.833 3.960 0.546 379 1HD LYS 50 HD1 LYS 50 53.170 4.851 2.144 380 2HD LYS 50 HD2 LYS 50 51.937 6.012 2.638 381 1HE LYS 50 HE1 LYS 50 52.695 7.644 1.151 382 2HE LYS 50 HE2 LYS 50 53.378 6.449 0.031 383 1HZ LYS 50 HZ1 LYS 50 54.375 6.854 2.803 384 2HZ LYS 50 HZ2 LYS 50 55.037 7.664 1.464 385 3HZ LYS 50 HZ3 LYS 50 55.113 5.969 1.558 386 H ASP 51 HN ASP 51 50.068 4.259 4.514 387 HA ASP 51 HA ASP 51 52.865 3.786 5.087 388 1HB ASP 51 HB1 ASP 51 50.729 4.030 7.186 389 2HB ASP 51 HB2 ASP 51 51.028 5.390 6.103 390 H ARG 52 HN ARG 52 49.862 2.055 5.964 391 HA ARG 52 HA ARG 52 51.049 0.050 7.615 392 1HB ARG 52 HB1 ARG 52 48.799 -0.914 6.040 393 2HB ARG 52 HB2 ARG 52 48.516 0.739 6.581 394 1HG ARG 52 HG1 ARG 52 47.700 -0.897 8.243 395 2HG ARG 52 HG2 ARG 52 49.017 0.073 8.902 396 1HD ARG 52 HD1 ARG 52 50.267 -1.791 9.260 397 2HD ARG 52 HD2 ARG 52 50.068 -2.305 7.573 398 HE ARG 52 HE ARG 52 48.109 -3.543 8.235 399 1HH1 ARG 52 HH11 ARG 52 49.298 -4.757 10.426 400 2HH1 ARG 52 HH12 ARG 52 48.475 -4.166 11.829 401 1HH2 ARG 52 HH21 ARG 52 47.070 -1.453 10.192 402 2HH2 ARG 52 HH22 ARG 52 47.207 -2.303 11.696 403 H TYR 53 HN TYR 53 50.535 0.175 4.087 404 HA TYR 53 HA TYR 53 51.255 -2.492 3.437 405 1HB TYR 53 HB1 TYR 53 52.023 -0.112 1.758 406 2HB TYR 53 HB2 TYR 53 50.322 -0.492 2.037 407 HD1 TYR 53 HD1 TYR 53 52.944 -0.998 -0.183 408 HD2 TYR 53 HD2 TYR 53 49.862 -3.180 1.860 409 HE1 TYR 53 HE1 TYR 53 53.066 -2.779 -1.902 410 HE2 TYR 53 HE2 TYR 53 49.981 -4.963 0.143 411 HH TYR 53 HH TYR 53 52.179 -4.708 -2.658 412 H LEU 54 HN LEU 54 53.344 0.416 3.615 413 HA LEU 54 HA LEU 54 55.786 -1.156 3.190 414 1HB LEU 54 HB1 LEU 54 56.716 1.205 3.880 415 2HB LEU 54 HB2 LEU 54 55.028 1.698 3.738 416 HG LEU 54 HG LEU 54 55.105 0.504 1.430 417 1HD1 LEU 54 HD11 LEU 54 55.809 2.540 0.361 418 2HD1 LEU 54 HD12 LEU 54 56.796 2.998 1.751 419 3HD1 LEU 54 HD13 LEU 54 55.036 3.001 1.878 420 1HD2 LEU 54 HD21 LEU 54 57.507 -0.370 2.185 421 2HD2 LEU 54 HD22 LEU 54 58.023 1.169 1.496 422 3HD2 LEU 54 HD23 LEU 54 57.165 -0.001 0.495 423 H LYS 55 HN LYS 55 53.861 -0.180 5.928 424 HA LYS 55 HA LYS 55 55.811 -0.067 7.997 425 1HB LYS 55 HB1 LYS 55 53.630 -1.103 9.226 426 2HB LYS 55 HB2 LYS 55 52.900 -0.591 7.706 427 1HG LYS 55 HG1 LYS 55 52.729 1.290 9.174 428 2HG LYS 55 HG2 LYS 55 54.059 1.661 8.076 429 1HD LYS 55 HD1 LYS 55 55.355 0.311 10.097 430 2HD LYS 55 HD2 LYS 55 54.095 1.164 10.987 431 1HE LYS 55 HE1 LYS 55 55.465 2.808 8.941 432 2HE LYS 55 HE2 LYS 55 56.491 2.294 10.294 433 1HZ LYS 55 HZ1 LYS 55 53.845 3.646 10.445 434 2HZ LYS 55 HZ2 LYS 55 55.342 4.283 10.932 435 3HZ LYS 55 HZ3 LYS 55 54.647 2.992 11.788 436 H HIS 56 HN HIS 56 53.794 -2.868 6.985 437 HA HIS 56 HA HIS 56 56.021 -4.709 7.377 438 1HB HIS 56 HB1 HIS 56 55.472 -4.319 9.694 439 2HB HIS 56 HB2 HIS 56 54.886 -5.919 9.265 440 HD1 HIS 56 HD1 HIS 56 53.511 -4.922 11.606 441 HD2 HIS 56 HD2 HIS 56 52.245 -3.796 7.801 442 HE1 HIS 56 HE1 HIS 56 51.090 -4.228 11.835 443 H LEU 57 HN LEU 57 54.287 -4.256 5.156 444 HA LEU 57 HA LEU 57 52.774 -6.856 5.091 445 1HB LEU 57 HB1 LEU 57 51.369 -5.635 3.346 446 2HB LEU 57 HB2 LEU 57 52.214 -4.165 3.817 447 HG LEU 57 HG LEU 57 51.460 -4.507 6.152 448 1HD1 LEU 57 HD11 LEU 57 49.546 -4.217 3.879 449 2HD1 LEU 57 HD12 LEU 57 50.004 -3.045 5.115 450 3HD1 LEU 57 HD13 LEU 57 48.884 -4.349 5.508 451 1HD2 LEU 57 HD21 LEU 57 49.493 -6.204 6.344 452 2HD2 LEU 57 HD22 LEU 57 51.140 -6.833 6.381 453 3HD2 LEU 57 HD23 LEU 57 50.191 -6.936 4.899 454 H ARG 58 HN ARG 58 54.140 -4.435 2.825 455 HA ARG 58 HA ARG 58 54.772 -6.445 0.809 456 1HB ARG 58 HB1 ARG 58 56.068 -3.755 0.859 457 2HB ARG 58 HB2 ARG 58 54.306 -3.791 0.803 458 1HG ARG 58 HG1 ARG 58 54.943 -3.805 -1.474 459 2HG ARG 58 HG2 ARG 58 54.607 -5.500 -1.122 460 1HD ARG 58 HD1 ARG 58 56.871 -6.086 -1.157 461 2HD ARG 58 HD2 ARG 58 57.403 -4.447 -0.730 462 HE ARG 58 HE ARG 58 57.119 -3.813 -3.027 463 1HH1 ARG 58 HH11 ARG 58 58.251 -6.445 -3.702 464 2HH1 ARG 58 HH12 ARG 58 57.059 -7.124 -4.760 465 1HH2 ARG 58 HH21 ARG 58 54.573 -4.903 -3.810 466 2HH2 ARG 58 HH22 ARG 58 54.975 -6.250 -4.821 467 H GLY 59 HN GLY 59 56.092 -7.871 2.279 468 1HA GLY 59 HA1 GLY 59 58.560 -6.968 3.442 469 2HA GLY 59 HA2 GLY 59 58.865 -7.661 1.847
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