NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22411 | 2joe | 15167 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 21.659 -5.749 18.298 2 2H MET 1 HT2 MET 1 20.649 -4.859 17.259 3 3H MET 1 HT3 MET 1 20.125 -5.255 18.823 4 HA MET 1 HA MET 1 21.739 -3.848 19.828 5 1HB MET 1 HB2 MET 1 22.626 -3.303 16.985 6 2HB MET 1 HB1 MET 1 23.178 -2.405 18.391 7 1HG MET 1 HG2 MET 1 24.174 -4.435 19.302 8 2HG MET 1 HG1 MET 1 23.611 -5.342 17.899 9 1HE MET 1 HE1 MET 1 26.088 -6.227 17.493 10 2HE MET 1 HE2 MET 1 26.641 -5.314 18.896 11 3HE MET 1 HE3 MET 1 27.493 -5.169 17.358 12 H GLY 2 HN GLY 2 19.254 -3.469 19.881 13 1HA GLY 2 HA2 GLY 2 17.616 -1.821 19.879 14 2HA GLY 2 HA1 GLY 2 18.706 -0.777 18.969 15 H ASP 3 HN ASP 3 19.235 -1.829 16.730 16 HA ASP 3 HA ASP 3 18.607 -2.443 14.649 17 1HB ASP 3 HB2 ASP 3 16.437 -4.130 15.888 18 2HB ASP 3 HB1 ASP 3 17.290 -4.398 14.374 19 H LYS 4 HN LYS 4 17.862 -0.495 13.896 20 HA LYS 4 HA LYS 4 15.234 0.441 14.528 21 1HB LYS 4 HB2 LYS 4 15.671 2.253 12.954 22 2HB LYS 4 HB1 LYS 4 17.038 2.029 14.033 23 1HG LYS 4 HG2 LYS 4 18.365 1.095 12.344 24 2HG LYS 4 HG1 LYS 4 16.975 0.800 11.297 25 1HD LYS 4 HD2 LYS 4 16.667 3.261 11.111 26 2HD LYS 4 HD1 LYS 4 18.152 3.478 12.038 27 1HE LYS 4 HE2 LYS 4 19.444 2.388 10.330 28 2HE LYS 4 HE1 LYS 4 17.984 1.952 9.444 29 1HZ LYS 4 HZ1 LYS 4 18.890 4.736 9.936 30 2HZ LYS 4 HZ2 LYS 4 17.564 4.262 8.993 31 3HZ LYS 4 HZ3 LYS 4 19.140 3.882 8.496 32 H GLU 5 HN GLU 5 13.451 -0.432 13.741 33 HA GLU 5 HA GLU 5 13.419 -1.460 11.025 34 1HB GLU 5 HB2 GLU 5 10.941 -1.871 11.598 35 2HB GLU 5 HB1 GLU 5 12.151 -2.850 12.410 36 1HG GLU 5 HG2 GLU 5 11.982 -1.127 14.304 37 2HG GLU 5 HG1 GLU 5 10.491 -0.620 13.512 38 H GLU 6 HN GLU 6 13.071 -0.154 9.387 39 HA GLU 6 HA GLU 6 12.354 2.607 10.086 40 1HB GLU 6 HB2 GLU 6 14.684 2.147 9.329 41 2HB GLU 6 HB1 GLU 6 14.042 1.600 7.789 42 1HG GLU 6 HG2 GLU 6 13.188 3.808 7.317 43 2HG GLU 6 HG1 GLU 6 13.710 4.375 8.904 44 H SER 7 HN SER 7 11.007 3.800 8.772 45 HA SER 7 HA SER 7 9.205 2.197 7.126 46 1HB SER 7 HB2 SER 7 8.875 5.037 8.127 47 2HB SER 7 HB1 SER 7 7.630 4.032 7.384 48 HG SER 7 HG SER 7 8.857 2.877 9.552 49 H LYS 8 HN LYS 8 9.321 2.278 4.985 50 HA LYS 8 HA LYS 8 10.478 4.681 3.730 51 1HB LYS 8 HB2 LYS 8 10.351 1.821 2.772 52 2HB LYS 8 HB1 LYS 8 10.765 3.162 1.716 53 1HG LYS 8 HG2 LYS 8 12.279 2.473 4.220 54 2HG LYS 8 HG1 LYS 8 12.707 1.888 2.612 55 1HD LYS 8 HD2 LYS 8 12.880 4.263 1.871 56 2HD LYS 8 HD1 LYS 8 12.622 4.755 3.546 57 1HE LYS 8 HE2 LYS 8 14.628 3.609 4.238 58 2HE LYS 8 HE1 LYS 8 14.856 2.957 2.616 59 1HZ LYS 8 HZ1 LYS 8 15.058 5.296 1.833 60 2HZ LYS 8 HZ2 LYS 8 16.302 4.799 2.871 61 3HZ LYS 8 HZ3 LYS 8 15.063 5.797 3.455 62 H LYS 9 HN LYS 9 9.027 5.959 2.892 63 HA LYS 9 HA LYS 9 6.381 4.860 2.219 64 1HB LYS 9 HB2 LYS 9 6.548 6.249 4.275 65 2HB LYS 9 HB1 LYS 9 7.132 7.579 3.300 66 1HG LYS 9 HG2 LYS 9 4.972 7.636 2.127 67 2HG LYS 9 HG1 LYS 9 4.393 6.341 3.187 68 1HD LYS 9 HD2 LYS 9 4.905 7.770 5.143 69 2HD LYS 9 HD1 LYS 9 5.365 9.067 4.044 70 1HE LYS 9 HE2 LYS 9 3.154 9.477 4.809 71 2HE LYS 9 HE1 LYS 9 3.069 9.008 3.110 72 1HZ LYS 9 HZ1 LYS 9 1.356 7.832 4.185 73 2HZ LYS 9 HZ2 LYS 9 2.346 7.398 5.492 74 3HZ LYS 9 HZ3 LYS 9 2.592 6.687 3.976 75 H PHE 10 HN PHE 10 6.084 4.883 0.066 76 HA PHE 10 HA PHE 10 7.058 7.242 -1.408 77 1HB PHE 10 HB2 PHE 10 7.167 5.979 -3.392 78 2HB PHE 10 HB1 PHE 10 7.790 4.883 -2.167 79 HD1 PHE 10 HD1 PHE 10 6.639 2.864 -1.616 80 HD2 PHE 10 HD2 PHE 10 4.942 5.634 -4.362 81 HE1 PHE 10 HE1 PHE 10 5.009 1.164 -2.324 82 HE2 PHE 10 HE2 PHE 10 3.307 3.942 -5.070 83 HZ PHE 10 HZ PHE 10 3.337 1.703 -4.053 84 H SER 11 HN SER 11 5.512 8.017 -3.142 85 HA SER 11 HA SER 11 2.733 7.411 -2.525 86 1HB SER 11 HB2 SER 11 3.350 9.216 -0.932 87 2HB SER 11 HB1 SER 11 3.813 10.225 -2.284 88 HG SER 11 HG SER 11 1.223 9.220 -1.749 89 H ALA 12 HN ALA 12 2.028 6.885 -4.458 90 HA ALA 12 HA ALA 12 2.850 8.505 -6.773 91 1HB ALA 12 HB1 ALA 12 3.459 6.140 -6.923 92 2HB ALA 12 HB2 ALA 12 2.267 6.573 -8.148 93 3HB ALA 12 HB3 ALA 12 1.768 5.688 -6.706 94 H ASN 13 HN ASN 13 1.391 9.934 -7.381 95 HA ASN 13 HA ASN 13 -1.432 9.533 -6.764 96 1HB ASN 13 HB2 ASN 13 -0.144 11.924 -8.104 97 2HB ASN 13 HB1 ASN 13 -1.727 11.854 -7.336 98 1HD2 ASN 13 HD21 ASN 13 -1.881 12.028 -5.116 99 2HD2 ASN 13 HD22 ASN 13 -0.539 12.454 -4.118 100 H LEU 14 HN LEU 14 -2.267 8.097 -8.221 101 HA LEU 14 HA LEU 14 -2.124 8.838 -11.040 102 1HB LEU 14 HB2 LEU 14 -1.708 6.323 -11.524 103 2HB LEU 14 HB1 LEU 14 -0.358 7.366 -11.132 104 HG LEU 14 HG LEU 14 -0.571 6.509 -8.736 105 1HD1 LEU 14 HD11 LEU 14 -2.246 4.406 -10.095 106 2HD1 LEU 14 HD12 LEU 14 -2.810 5.567 -8.893 107 3HD1 LEU 14 HD13 LEU 14 -1.632 4.333 -8.444 108 1HD2 LEU 14 HD21 LEU 14 0.174 4.558 -10.911 109 2HD2 LEU 14 HD22 LEU 14 0.692 4.477 -9.226 110 3HD2 LEU 14 HD23 LEU 14 1.213 5.818 -10.246 111 H ASN 15 HN ASN 15 -3.841 8.158 -12.295 112 HA ASN 15 HA ASN 15 -5.887 7.350 -12.854 113 1HB ASN 15 HB2 ASN 15 -4.920 5.185 -12.141 114 2HB ASN 15 HB1 ASN 15 -5.501 5.475 -10.507 115 1HD2 ASN 15 HD21 ASN 15 -7.601 5.057 -10.016 116 2HD2 ASN 15 HD22 ASN 15 -8.732 4.377 -11.131 117 H GLY 16 HN GLY 16 -5.341 9.134 -10.211 118 1HA GLY 16 HA2 GLY 16 -6.957 10.636 -9.297 119 2HA GLY 16 HA1 GLY 16 -8.207 9.446 -9.642 120 H THR 17 HN THR 17 -5.802 7.663 -8.493 121 HA THR 17 HA THR 17 -6.739 7.855 -5.716 122 HB THR 17 HB THR 17 -5.650 5.501 -5.605 123 HG1 THR 17 HG1 THR 17 -4.812 5.907 -7.889 124 1HG2 THR 17 HG21 THR 17 -8.055 5.896 -5.440 125 2HG2 THR 17 HG22 THR 17 -7.722 4.453 -6.396 126 3HG2 THR 17 HG23 THR 17 -8.175 5.957 -7.198 127 H GLU 18 HN GLU 18 -5.346 8.453 -4.181 128 HA GLU 18 HA GLU 18 -2.560 8.883 -4.948 129 1HB GLU 18 HB2 GLU 18 -3.760 9.690 -2.312 130 2HB GLU 18 HB1 GLU 18 -2.414 10.419 -3.178 131 1HG GLU 18 HG2 GLU 18 -4.104 11.087 -4.949 132 2HG GLU 18 HG1 GLU 18 -5.346 10.619 -3.785 133 H ILE 19 HN ILE 19 -1.601 6.905 -4.837 134 HA ILE 19 HA ILE 19 -2.050 5.237 -2.479 135 HB ILE 19 HB ILE 19 -0.469 4.634 -4.986 136 1HG1 ILE 19 HG12 ILE 19 -3.233 3.732 -4.146 137 2HG1 ILE 19 HG11 ILE 19 -2.882 4.897 -5.419 138 1HG2 ILE 19 HG21 ILE 19 -0.537 2.307 -4.201 139 2HG2 ILE 19 HG22 ILE 19 -1.327 2.840 -2.718 140 3HG2 ILE 19 HG23 ILE 19 0.321 3.358 -3.073 141 1HD1 ILE 19 HD11 ILE 19 -1.768 3.173 -6.710 142 2HD1 ILE 19 HD12 ILE 19 -3.416 2.687 -6.307 143 3HD1 ILE 19 HD13 ILE 19 -2.051 2.005 -5.420 144 H ALA 20 HN ALA 20 -0.832 5.832 -0.787 145 HA ALA 20 HA ALA 20 2.053 6.132 -1.298 146 1HB ALA 20 HB1 ALA 20 1.691 7.284 1.162 147 2HB ALA 20 HB2 ALA 20 0.251 7.787 0.281 148 3HB ALA 20 HB3 ALA 20 1.843 8.145 -0.366 149 H ILE 21 HN ILE 21 2.978 4.292 -0.806 150 HA ILE 21 HA ILE 21 1.875 2.662 1.353 151 HB ILE 21 HB ILE 21 3.883 1.950 -0.788 152 1HG1 ILE 21 HG12 ILE 21 0.997 1.133 -0.371 153 2HG1 ILE 21 HG11 ILE 21 1.592 2.219 -1.621 154 1HG2 ILE 21 HG21 ILE 21 3.673 -0.354 0.035 155 2HG2 ILE 21 HG22 ILE 21 2.662 0.220 1.362 156 3HG2 ILE 21 HG23 ILE 21 4.350 0.721 1.260 157 1HD1 ILE 21 HD11 ILE 21 1.137 0.005 -2.507 158 2HD1 ILE 21 HD12 ILE 21 2.269 -0.702 -1.353 159 3HD1 ILE 21 HD13 ILE 21 2.857 0.384 -2.612 160 H THR 22 HN THR 22 2.695 2.870 3.245 161 HA THR 22 HA THR 22 5.468 3.714 3.647 162 HB THR 22 HB THR 22 3.448 3.255 5.829 163 HG1 THR 22 HG1 THR 22 2.240 4.762 4.962 164 1HG2 THR 22 HG21 THR 22 5.726 5.214 5.511 165 2HG2 THR 22 HG22 THR 22 5.755 3.738 6.476 166 3HG2 THR 22 HG23 THR 22 4.686 5.066 6.927 167 H TYR 23 HN TYR 23 6.543 1.725 3.168 168 HA TYR 23 HA TYR 23 5.673 -0.581 4.738 169 1HB TYR 23 HB2 TYR 23 7.290 -1.878 3.299 170 2HB TYR 23 HB1 TYR 23 5.909 -1.184 2.465 171 HD1 TYR 23 HD1 TYR 23 9.533 -1.188 2.796 172 HD2 TYR 23 HD2 TYR 23 6.217 0.723 0.938 173 HE1 TYR 23 HE1 TYR 23 11.050 -0.161 1.157 174 HE2 TYR 23 HE2 TYR 23 7.725 1.758 -0.704 175 HH TYR 23 HH TYR 23 10.107 2.369 -0.884 176 H VAL 24 HN VAL 24 6.639 -1.190 6.472 177 HA VAL 24 HA VAL 24 9.156 0.058 7.260 178 HB VAL 24 HB VAL 24 7.190 -1.618 8.837 179 1HG1 VAL 24 HG11 VAL 24 8.512 -1.025 10.811 180 2HG1 VAL 24 HG12 VAL 24 9.696 -0.224 9.779 181 3HG1 VAL 24 HG13 VAL 24 9.462 -1.968 9.662 182 1HG2 VAL 24 HG21 VAL 24 7.859 1.317 8.968 183 2HG2 VAL 24 HG22 VAL 24 6.717 0.468 10.013 184 3HG2 VAL 24 HG23 VAL 24 6.388 0.621 8.286 185 H TYR 25 HN TYR 25 10.999 -0.962 7.047 186 HA TYR 25 HA TYR 25 10.957 -3.901 6.872 187 1HB TYR 25 HB2 TYR 25 12.845 -3.814 5.384 188 2HB TYR 25 HB1 TYR 25 11.619 -2.722 4.753 189 HD1 TYR 25 HD1 TYR 25 15.014 -3.047 5.863 190 HD2 TYR 25 HD2 TYR 25 11.905 -0.224 5.176 191 HE1 TYR 25 HE1 TYR 25 16.676 -1.237 5.810 192 HE2 TYR 25 HE2 TYR 25 13.562 1.590 5.120 193 HH TYR 25 HH TYR 25 15.794 2.085 5.883 194 H LYS 26 HN LYS 26 12.646 -5.017 7.892 195 HA LYS 26 HA LYS 26 14.339 -3.425 9.688 196 1HB LYS 26 HB2 LYS 26 12.283 -4.489 10.824 197 2HB LYS 26 HB1 LYS 26 13.090 -6.028 10.560 198 1HG LYS 26 HG2 LYS 26 14.913 -5.403 11.954 199 2HG LYS 26 HG1 LYS 26 14.340 -3.735 12.051 200 1HD LYS 26 HD2 LYS 26 12.275 -4.587 13.165 201 2HD LYS 26 HD1 LYS 26 13.014 -6.189 13.200 202 1HE LYS 26 HE2 LYS 26 14.783 -5.414 14.611 203 2HE LYS 26 HE1 LYS 26 14.262 -3.739 14.431 204 1HZ LYS 26 HZ1 LYS 26 12.208 -4.291 15.583 205 2HZ LYS 26 HZ2 LYS 26 13.556 -4.651 16.550 206 3HZ LYS 26 HZ3 LYS 26 12.718 -5.901 15.765 207 H GLY 27 HN GLY 27 16.370 -3.824 9.131 208 1HA GLY 27 HA2 GLY 27 18.265 -5.083 8.612 209 2HA GLY 27 HA1 GLY 27 17.258 -6.527 8.565 210 H ASP 28 HN ASP 28 17.048 -7.398 6.615 211 HA ASP 28 HA ASP 28 17.077 -5.594 4.280 212 1HB ASP 28 HB2 ASP 28 17.968 -7.400 2.951 213 2HB ASP 28 HB1 ASP 28 18.977 -7.218 4.382 214 H LYS 29 HN LYS 29 14.995 -7.105 6.194 215 HA LYS 29 HA LYS 29 13.307 -8.099 3.996 216 1HB LYS 29 HB2 LYS 29 13.972 -9.720 5.845 217 2HB LYS 29 HB1 LYS 29 12.976 -8.753 6.921 218 1HG LYS 29 HG2 LYS 29 11.050 -9.157 5.396 219 2HG LYS 29 HG1 LYS 29 12.071 -10.276 4.493 220 1HD LYS 29 HD2 LYS 29 12.383 -11.606 6.541 221 2HD LYS 29 HD1 LYS 29 11.310 -10.501 7.403 222 1HE LYS 29 HE2 LYS 29 10.603 -12.269 5.067 223 2HE LYS 29 HE1 LYS 29 10.072 -12.452 6.738 224 1HZ LYS 29 HZ1 LYS 29 8.420 -11.422 5.192 225 2HZ LYS 29 HZ2 LYS 29 9.432 -10.068 5.093 226 3HZ LYS 29 HZ3 LYS 29 8.758 -10.512 6.578 227 H VAL 30 HN VAL 30 11.507 -6.995 3.542 228 HA VAL 30 HA VAL 30 10.552 -4.881 5.242 229 HB VAL 30 HB VAL 30 9.052 -6.139 2.936 230 1HG1 VAL 30 HG11 VAL 30 8.035 -3.925 2.737 231 2HG1 VAL 30 HG12 VAL 30 8.990 -3.360 4.108 232 3HG1 VAL 30 HG13 VAL 30 7.768 -4.612 4.339 233 1HG2 VAL 30 HG21 VAL 30 10.086 -4.461 1.475 234 2HG2 VAL 30 HG22 VAL 30 11.284 -5.568 2.146 235 3HG2 VAL 30 HG23 VAL 30 11.118 -3.942 2.808 236 H LEU 31 HN LEU 31 8.828 -4.992 6.684 237 HA LEU 31 HA LEU 31 7.841 -7.727 7.137 238 1HB LEU 31 HB2 LEU 31 8.723 -5.686 9.164 239 2HB LEU 31 HB1 LEU 31 7.870 -7.165 9.579 240 HG LEU 31 HG LEU 31 10.532 -7.071 8.152 241 1HD1 LEU 31 HD11 LEU 31 11.492 -7.866 10.235 242 2HD1 LEU 31 HD12 LEU 31 9.921 -7.724 11.026 243 3HD1 LEU 31 HD13 LEU 31 10.750 -6.279 10.445 244 1HD2 LEU 31 HD21 LEU 31 9.208 -9.038 7.614 245 2HD2 LEU 31 HD22 LEU 31 8.976 -9.366 9.331 246 3HD2 LEU 31 HD23 LEU 31 10.589 -9.466 8.624 247 H LYS 32 HN LYS 32 6.986 -4.310 7.197 248 HA LYS 32 HA LYS 32 4.187 -5.201 7.210 249 1HB LYS 32 HB2 LYS 32 5.320 -2.982 8.911 250 2HB LYS 32 HB1 LYS 32 3.615 -3.076 8.509 251 1HG LYS 32 HG2 LYS 32 3.616 -4.090 10.550 252 2HG LYS 32 HG1 LYS 32 3.839 -5.496 9.510 253 1HD LYS 32 HD2 LYS 32 6.150 -5.603 9.989 254 2HD LYS 32 HD1 LYS 32 6.151 -3.993 10.711 255 1HE LYS 32 HE2 LYS 32 6.232 -5.482 12.527 256 2HE LYS 32 HE1 LYS 32 4.561 -4.932 12.450 257 1HZ LYS 32 HZ1 LYS 32 4.524 -7.246 12.814 258 2HZ LYS 32 HZ2 LYS 32 5.647 -7.555 11.588 259 3HZ LYS 32 HZ3 LYS 32 4.081 -7.038 11.190 260 H GLN 33 HN GLN 33 3.113 -4.454 5.523 261 HA GLN 33 HA GLN 33 4.220 -2.145 4.072 262 1HB GLN 33 HB2 GLN 33 4.109 -4.321 2.870 263 2HB GLN 33 HB1 GLN 33 2.366 -4.309 3.062 264 1HG GLN 33 HG2 GLN 33 2.271 -2.222 1.757 265 2HG GLN 33 HG1 GLN 33 4.013 -2.328 1.509 266 1HE2 GLN 33 HE21 GLN 33 1.869 -2.345 -0.454 267 2HE2 GLN 33 HE22 GLN 33 2.034 -3.823 -1.334 268 H SER 34 HN SER 34 3.165 -0.408 4.970 269 HA SER 34 HA SER 34 0.289 -0.501 5.329 270 1HB SER 34 HB2 SER 34 1.722 0.731 6.947 271 2HB SER 34 HB1 SER 34 2.204 1.830 5.657 272 HG SER 34 HG SER 34 0.389 2.873 5.880 273 H SER 35 HN SER 35 -0.675 -0.643 3.345 274 HA SER 35 HA SER 35 0.203 1.193 1.243 275 1HB SER 35 HB2 SER 35 -1.774 -1.098 1.067 276 2HB SER 35 HB1 SER 35 -1.080 -0.200 -0.284 277 HG SER 35 HG SER 35 -0.102 -2.343 0.950 278 H GLU 36 HN GLU 36 -0.678 3.115 1.830 279 HA GLU 36 HA GLU 36 -3.500 3.209 2.587 280 1HB GLU 36 HB2 GLU 36 -1.346 5.299 2.658 281 2HB GLU 36 HB1 GLU 36 -2.954 5.494 3.323 282 1HG GLU 36 HG2 GLU 36 -2.507 4.130 5.115 283 2HG GLU 36 HG1 GLU 36 -1.238 3.250 4.266 284 H THR 37 HN THR 37 -4.826 3.371 0.893 285 HA THR 37 HA THR 37 -3.950 4.926 -1.445 286 HB THR 37 HB THR 37 -6.087 2.791 -1.283 287 HG1 THR 37 HG1 THR 37 -4.329 1.586 -1.312 288 1HG2 THR 37 HG21 THR 37 -6.579 4.381 -3.042 289 2HG2 THR 37 HG22 THR 37 -5.989 2.882 -3.762 290 3HG2 THR 37 HG23 THR 37 -4.924 4.282 -3.639 291 H LYS 38 HN LYS 38 -4.703 6.947 -1.329 292 HA LYS 38 HA LYS 38 -7.311 7.483 -0.182 293 1HB LYS 38 HB2 LYS 38 -5.490 9.019 0.325 294 2HB LYS 38 HB1 LYS 38 -5.274 9.351 -1.387 295 1HG LYS 38 HG2 LYS 38 -7.401 10.435 -1.515 296 2HG LYS 38 HG1 LYS 38 -7.799 9.947 0.134 297 1HD LYS 38 HD2 LYS 38 -6.132 11.372 1.043 298 2HD LYS 38 HD1 LYS 38 -5.440 11.688 -0.548 299 1HE LYS 38 HE2 LYS 38 -7.484 12.847 -1.210 300 2HE LYS 38 HE1 LYS 38 -8.192 12.512 0.370 301 1HZ LYS 38 HZ1 LYS 38 -7.184 14.784 0.039 302 2HZ LYS 38 HZ2 LYS 38 -5.663 14.026 0.062 303 3HZ LYS 38 HZ3 LYS 38 -6.680 13.936 1.419 304 H ILE 39 HN ILE 39 -8.883 6.764 -1.448 305 HA ILE 39 HA ILE 39 -8.809 7.192 -4.325 306 HB ILE 39 HB ILE 39 -10.963 5.908 -2.630 307 1HG1 ILE 39 HG12 ILE 39 -8.717 4.599 -4.182 308 2HG1 ILE 39 HG11 ILE 39 -8.778 4.754 -2.430 309 1HG2 ILE 39 HG21 ILE 39 -10.440 5.786 -5.600 310 2HG2 ILE 39 HG22 ILE 39 -11.759 6.650 -4.809 311 3HG2 ILE 39 HG23 ILE 39 -11.691 4.889 -4.738 312 1HD1 ILE 39 HD11 ILE 39 -10.719 3.208 -4.130 313 2HD1 ILE 39 HD12 ILE 39 -10.768 3.352 -2.373 314 3HD1 ILE 39 HD13 ILE 39 -9.419 2.526 -3.153 315 H GLN 40 HN GLN 40 -9.971 8.728 -5.377 316 HA GLN 40 HA GLN 40 -11.578 10.551 -3.741 317 1HB GLN 40 HB2 GLN 40 -10.685 10.847 -6.622 318 2HB GLN 40 HB1 GLN 40 -11.453 12.084 -5.638 319 1HG GLN 40 HG2 GLN 40 -8.738 10.878 -5.151 320 2HG GLN 40 HG1 GLN 40 -9.060 12.462 -5.851 321 1HE2 GLN 40 HE21 GLN 40 -9.021 10.561 -2.961 322 2HE2 GLN 40 HE22 GLN 40 -9.227 11.867 -1.854 323 H PHE 41 HN PHE 41 -13.739 11.023 -4.257 324 HA PHE 41 HA PHE 41 -15.219 8.950 -5.542 325 1HB PHE 41 HB2 PHE 41 -15.984 11.637 -4.420 326 2HB PHE 41 HB1 PHE 41 -17.148 10.636 -5.274 327 HD1 PHE 41 HD1 PHE 41 -18.562 9.488 -3.904 328 HD2 PHE 41 HD2 PHE 41 -14.544 10.087 -2.643 329 HE1 PHE 41 HE1 PHE 41 -19.030 8.253 -1.829 330 HE2 PHE 41 HE2 PHE 41 -15.006 8.853 -0.568 331 HZ PHE 41 HZ PHE 41 -17.251 7.936 -0.156 332 H ALA 42 HN ALA 42 -17.006 9.784 -7.184 333 HA ALA 42 HA ALA 42 -17.444 10.316 -9.344 334 1HB ALA 42 HB1 ALA 42 -16.836 12.616 -8.763 335 2HB ALA 42 HB2 ALA 42 -16.361 12.214 -10.413 336 3HB ALA 42 HB3 ALA 42 -15.148 12.262 -9.133 337 H SER 43 HN SER 43 -13.885 10.332 -8.967 338 HA SER 43 HA SER 43 -13.332 9.088 -11.427 339 1HB SER 43 HB2 SER 43 -11.701 9.086 -8.873 340 2HB SER 43 HB1 SER 43 -11.094 8.674 -10.479 341 HG SER 43 HG SER 43 -11.511 10.777 -11.147 342 H ILE 44 HN ILE 44 -13.935 7.765 -8.214 343 HA ILE 44 HA ILE 44 -13.466 5.046 -8.946 344 HB ILE 44 HB ILE 44 -13.299 5.698 -6.625 345 1HG1 ILE 44 HG12 ILE 44 -15.666 3.870 -7.085 346 2HG1 ILE 44 HG11 ILE 44 -13.973 3.391 -7.020 347 1HG2 ILE 44 HG21 ILE 44 -14.875 7.530 -6.603 348 2HG2 ILE 44 HG22 ILE 44 -15.257 6.386 -5.316 349 3HG2 ILE 44 HG23 ILE 44 -16.221 6.407 -6.793 350 1HD1 ILE 44 HD11 ILE 44 -13.886 4.068 -4.668 351 2HD1 ILE 44 HD12 ILE 44 -15.109 2.831 -4.959 352 3HD1 ILE 44 HD13 ILE 44 -15.592 4.514 -4.743 353 H GLY 45 HN GLY 45 -16.000 7.225 -9.544 354 1HA GLY 45 HA2 GLY 45 -17.853 6.759 -10.933 355 2HA GLY 45 HA1 GLY 45 -17.720 5.059 -10.500 356 H ALA 46 HN ALA 46 -17.355 6.662 -7.708 357 HA ALA 46 HA ALA 46 -20.159 6.259 -6.977 358 1HB ALA 46 HB1 ALA 46 -18.419 5.070 -5.685 359 2HB ALA 46 HB2 ALA 46 -19.390 6.158 -4.692 360 3HB ALA 46 HB3 ALA 46 -17.763 6.632 -5.185 361 H THR 47 HN THR 47 -21.456 7.910 -6.447 362 HA THR 47 HA THR 47 -20.256 10.571 -6.173 363 HB THR 47 HB THR 47 -22.107 10.288 -7.813 364 HG1 THR 47 HG1 THR 47 -23.470 12.006 -6.382 365 1HG2 THR 47 HG21 THR 47 -24.407 10.041 -6.997 366 2HG2 THR 47 HG22 THR 47 -23.801 9.805 -5.358 367 3HG2 THR 47 HG23 THR 47 -23.435 8.621 -6.613 368 H THR 48 HN THR 48 -21.689 8.060 -4.329 369 HA THR 48 HA THR 48 -21.688 9.813 -1.977 370 HB THR 48 HB THR 48 -24.028 9.543 -2.581 371 HG1 THR 48 HG1 THR 48 -24.163 9.512 -0.465 372 1HG2 THR 48 HG21 THR 48 -23.524 6.572 -2.394 373 2HG2 THR 48 HG22 THR 48 -23.875 7.475 -3.867 374 3HG2 THR 48 HG23 THR 48 -25.100 7.336 -2.607 375 H LYS 49 HN LYS 49 -21.464 8.624 0.067 376 HA LYS 49 HA LYS 49 -19.271 6.865 -0.093 377 1HB LYS 49 HB2 LYS 49 -19.493 6.674 2.356 378 2HB LYS 49 HB1 LYS 49 -19.550 8.341 1.804 379 1HG LYS 49 HG2 LYS 49 -21.965 8.367 2.060 380 2HG LYS 49 HG1 LYS 49 -21.943 6.672 2.553 381 1HD LYS 49 HD2 LYS 49 -20.536 7.280 4.484 382 2HD LYS 49 HD1 LYS 49 -20.634 8.974 4.001 383 1HE LYS 49 HE2 LYS 49 -22.227 8.460 5.782 384 2HE LYS 49 HE1 LYS 49 -23.053 8.930 4.297 385 1HZ LYS 49 HZ1 LYS 49 -22.607 6.110 5.110 386 2HZ LYS 49 HZ2 LYS 49 -23.586 6.673 3.841 387 3HZ LYS 49 HZ3 LYS 49 -24.026 6.973 5.450 388 H GLU 50 HN GLU 50 -22.698 6.308 0.198 389 HA GLU 50 HA GLU 50 -22.658 3.603 0.971 390 1HB GLU 50 HB2 GLU 50 -24.701 4.930 1.007 391 2HB GLU 50 HB1 GLU 50 -24.635 5.126 -0.738 392 1HG GLU 50 HG2 GLU 50 -24.921 2.689 -0.988 393 2HG GLU 50 HG1 GLU 50 -25.085 2.558 0.763 394 H ASP 51 HN ASP 51 -22.872 5.093 -2.233 395 HA ASP 51 HA ASP 51 -22.782 2.707 -3.726 396 1HB ASP 51 HB2 ASP 51 -23.540 4.994 -4.514 397 2HB ASP 51 HB1 ASP 51 -21.840 5.431 -4.639 398 H ALA 52 HN ALA 52 -20.325 4.813 -2.419 399 HA ALA 52 HA ALA 52 -18.094 3.755 -3.780 400 1HB ALA 52 HB1 ALA 52 -18.203 5.032 -1.050 401 2HB ALA 52 HB2 ALA 52 -18.031 5.888 -2.582 402 3HB ALA 52 HB3 ALA 52 -16.757 4.800 -2.033 403 H ALA 53 HN ALA 53 -19.504 2.976 -0.595 404 HA ALA 53 HA ALA 53 -17.616 1.012 0.091 405 1HB ALA 53 HB1 ALA 53 -19.149 2.030 1.716 406 2HB ALA 53 HB2 ALA 53 -19.179 0.265 1.769 407 3HB ALA 53 HB3 ALA 53 -20.490 1.149 0.982 408 H LYS 54 HN LYS 54 -20.685 0.770 -1.667 409 HA LYS 54 HA LYS 54 -20.768 -2.036 -1.838 410 1HB LYS 54 HB2 LYS 54 -21.869 0.061 -3.713 411 2HB LYS 54 HB1 LYS 54 -22.226 -1.656 -3.841 412 1HG LYS 54 HG2 LYS 54 -23.164 -1.565 -1.537 413 2HG LYS 54 HG1 LYS 54 -22.940 0.185 -1.570 414 1HD LYS 54 HD2 LYS 54 -24.424 0.358 -3.490 415 2HD LYS 54 HD1 LYS 54 -24.611 -1.396 -3.525 416 1HE LYS 54 HE2 LYS 54 -25.591 -1.295 -1.255 417 2HE LYS 54 HE1 LYS 54 -25.480 0.464 -1.314 418 1HZ LYS 54 HZ1 LYS 54 -26.958 0.450 -3.239 419 2HZ LYS 54 HZ2 LYS 54 -27.695 -0.285 -1.900 420 3HZ LYS 54 HZ3 LYS 54 -27.077 -1.242 -3.154 421 H THR 55 HN THR 55 -18.715 0.214 -3.347 422 HA THR 55 HA THR 55 -17.915 -1.654 -5.446 423 HB THR 55 HB THR 55 -16.931 1.156 -4.890 424 HG1 THR 55 HG1 THR 55 -19.036 1.373 -5.509 425 1HG2 THR 55 HG21 THR 55 -16.641 -0.580 -7.347 426 2HG2 THR 55 HG22 THR 55 -15.356 -0.200 -6.200 427 3HG2 THR 55 HG23 THR 55 -16.073 1.082 -7.178 428 H LEU 56 HN LEU 56 -16.791 -0.213 -2.452 429 HA LEU 56 HA LEU 56 -14.070 -1.104 -2.819 430 1HB LEU 56 HB2 LEU 56 -15.435 0.259 -0.504 431 2HB LEU 56 HB1 LEU 56 -13.724 -0.122 -0.555 432 HG LEU 56 HG LEU 56 -15.173 1.756 -2.422 433 1HD1 LEU 56 HD11 LEU 56 -14.907 2.665 -0.182 434 2HD1 LEU 56 HD12 LEU 56 -13.843 3.489 -1.322 435 3HD1 LEU 56 HD13 LEU 56 -13.186 2.282 -0.217 436 1HD2 LEU 56 HD21 LEU 56 -13.355 0.594 -3.553 437 2HD2 LEU 56 HD22 LEU 56 -12.249 1.037 -2.253 438 3HD2 LEU 56 HD23 LEU 56 -12.946 2.288 -3.283 439 H GLU 57 HN GLU 57 -16.800 -1.996 -0.719 440 HA GLU 57 HA GLU 57 -15.506 -3.572 1.110 441 1HB GLU 57 HB2 GLU 57 -18.254 -3.994 -0.052 442 2HB GLU 57 HB1 GLU 57 -17.639 -4.847 1.355 443 1HG GLU 57 HG2 GLU 57 -17.315 -2.647 2.454 444 2HG GLU 57 HG1 GLU 57 -18.117 -1.895 1.079 445 HA PRO 58 HA PRO 58 -16.203 -7.494 -1.993 446 1HB PRO 58 HB2 PRO 58 -15.618 -5.766 -4.356 447 2HB PRO 58 HB1 PRO 58 -16.585 -7.239 -4.253 448 1HG PRO 58 HG2 PRO 58 -17.696 -4.786 -4.363 449 2HG PRO 58 HG1 PRO 58 -18.436 -6.131 -3.479 450 1HD PRO 58 HD2 PRO 58 -17.152 -3.699 -2.441 451 2HD PRO 58 HD1 PRO 58 -18.267 -4.820 -1.646 452 H LEU 59 HN LEU 59 -14.062 -4.718 -2.597 453 HA LEU 59 HA LEU 59 -11.870 -6.441 -3.365 454 1HB LEU 59 HB2 LEU 59 -11.978 -3.452 -2.967 455 2HB LEU 59 HB1 LEU 59 -10.613 -4.335 -3.624 456 HG LEU 59 HG LEU 59 -13.346 -4.091 -4.883 457 1HD1 LEU 59 HD11 LEU 59 -12.017 -2.056 -5.032 458 2HD1 LEU 59 HD12 LEU 59 -12.166 -2.831 -6.609 459 3HD1 LEU 59 HD13 LEU 59 -10.666 -2.977 -5.693 460 1HD2 LEU 59 HD21 LEU 59 -12.367 -6.281 -5.328 461 2HD2 LEU 59 HD22 LEU 59 -10.876 -5.513 -5.872 462 3HD2 LEU 59 HD23 LEU 59 -12.369 -5.283 -6.782 463 H SER 60 HN SER 60 -12.587 -4.215 -0.675 464 HA SER 60 HA SER 60 -10.172 -4.662 0.710 465 1HB SER 60 HB2 SER 60 -12.780 -3.984 2.050 466 2HB SER 60 HB1 SER 60 -11.155 -3.462 2.487 467 HG SER 60 HG SER 60 -11.107 -2.134 0.667 468 H ALA 61 HN ALA 61 -13.154 -6.450 0.534 469 HA ALA 61 HA ALA 61 -12.707 -8.057 2.859 470 1HB ALA 61 HB1 ALA 61 -14.579 -9.389 2.064 471 2HB ALA 61 HB2 ALA 61 -14.525 -8.560 0.508 472 3HB ALA 61 HB3 ALA 61 -14.952 -7.668 1.968 473 H LYS 62 HN LYS 62 -11.264 -8.019 -0.177 474 HA LYS 62 HA LYS 62 -10.803 -10.800 -0.535 475 1HB LYS 62 HB2 LYS 62 -9.453 -8.326 -1.567 476 2HB LYS 62 HB1 LYS 62 -8.764 -9.912 -1.867 477 1HG LYS 62 HG2 LYS 62 -11.013 -10.535 -2.867 478 2HG LYS 62 HG1 LYS 62 -11.381 -8.807 -2.827 479 1HD LYS 62 HD2 LYS 62 -9.453 -8.324 -4.203 480 2HD LYS 62 HD1 LYS 62 -8.959 -10.016 -4.161 481 1HE LYS 62 HE2 LYS 62 -11.148 -10.563 -5.279 482 2HE LYS 62 HE1 LYS 62 -11.379 -8.828 -5.502 483 1HZ LYS 62 HZ1 LYS 62 -10.389 -9.443 -7.470 484 2HZ LYS 62 HZ2 LYS 62 -9.397 -10.613 -6.752 485 3HZ LYS 62 HZ3 LYS 62 -9.036 -8.971 -6.567 486 H TYR 63 HN TYR 63 -9.202 -8.266 1.271 487 HA TYR 63 HA TYR 63 -6.836 -9.696 1.868 488 1HB TYR 63 HB2 TYR 63 -8.183 -7.358 3.225 489 2HB TYR 63 HB1 TYR 63 -6.625 -8.006 3.741 490 HD1 TYR 63 HD1 TYR 63 -8.402 -6.247 1.031 491 HD2 TYR 63 HD2 TYR 63 -4.643 -7.651 2.451 492 HE1 TYR 63 HE1 TYR 63 -7.257 -4.937 -0.707 493 HE2 TYR 63 HE2 TYR 63 -3.492 -6.337 0.729 494 HH TYR 63 HH TYR 63 -5.084 -3.955 -1.153 495 H LYS 64 HN LYS 64 -9.768 -9.106 3.766 496 HA LYS 64 HA LYS 64 -10.840 -10.337 5.334 497 1HB LYS 64 HB2 LYS 64 -10.973 -11.671 3.182 498 2HB LYS 64 HB1 LYS 64 -9.724 -12.704 3.858 499 1HG LYS 64 HG2 LYS 64 -11.145 -13.444 5.593 500 2HG LYS 64 HG1 LYS 64 -12.343 -12.195 5.235 501 1HD LYS 64 HD2 LYS 64 -12.750 -13.212 3.050 502 2HD LYS 64 HD1 LYS 64 -11.553 -14.457 3.403 503 1HE LYS 64 HE2 LYS 64 -12.900 -15.275 5.235 504 2HE LYS 64 HE1 LYS 64 -14.066 -13.975 4.991 505 1HZ LYS 64 HZ1 LYS 64 -13.427 -15.882 2.829 506 2HZ LYS 64 HZ2 LYS 64 -14.800 -14.901 3.008 507 3HZ LYS 64 HZ3 LYS 64 -14.585 -16.251 4.008 508 H ASN 65 HN ASN 65 -8.566 -12.972 5.022 509 HA ASN 65 HA ASN 65 -7.136 -12.168 7.419 510 1HB ASN 65 HB2 ASN 65 -9.251 -13.497 8.071 511 2HB ASN 65 HB1 ASN 65 -8.422 -14.894 7.389 512 1HD2 ASN 65 HD21 ASN 65 -8.432 -12.512 9.918 513 2HD2 ASN 65 HD22 ASN 65 -7.297 -13.312 10.957 514 H ILE 66 HN ILE 66 -6.294 -12.364 4.763 515 HA ILE 66 HA ILE 66 -4.910 -14.711 4.102 516 HB ILE 66 HB ILE 66 -3.915 -11.883 3.673 517 1HG1 ILE 66 HG12 ILE 66 -5.668 -13.584 1.888 518 2HG1 ILE 66 HG11 ILE 66 -6.203 -12.186 2.817 519 1HG2 ILE 66 HG21 ILE 66 -3.295 -14.444 2.207 520 2HG2 ILE 66 HG22 ILE 66 -2.207 -13.562 3.278 521 3HG2 ILE 66 HG23 ILE 66 -2.723 -12.839 1.754 522 1HD1 ILE 66 HD11 ILE 66 -4.728 -10.752 1.520 523 2HD1 ILE 66 HD12 ILE 66 -5.859 -11.621 0.483 524 3HD1 ILE 66 HD13 ILE 66 -4.179 -12.147 0.593 525 H ALA 67 HN ALA 67 -4.053 -12.028 6.160 526 HA ALA 67 HA ALA 67 -2.217 -13.520 7.756 527 1HB ALA 67 HB1 ALA 67 -0.760 -13.076 5.835 528 2HB ALA 67 HB2 ALA 67 -0.234 -12.149 7.240 529 3HB ALA 67 HB3 ALA 67 -1.127 -11.355 5.944 530 H GLY 68 HN GLY 68 -0.795 -11.061 8.554 531 1HA GLY 68 HA2 GLY 68 -2.819 -9.777 10.138 532 2HA GLY 68 HA1 GLY 68 -1.123 -9.315 10.039 533 H VAL 69 HN VAL 69 -3.833 -9.503 7.764 534 HA VAL 69 HA VAL 69 -2.936 -7.008 6.539 535 HB VAL 69 HB VAL 69 -4.635 -7.645 4.738 536 1HG1 VAL 69 HG11 VAL 69 -3.117 -9.273 3.716 537 2HG1 VAL 69 HG12 VAL 69 -2.320 -9.506 5.272 538 3HG1 VAL 69 HG13 VAL 69 -2.230 -7.942 4.459 539 1HG2 VAL 69 HG21 VAL 69 -5.969 -9.215 6.023 540 2HG2 VAL 69 HG22 VAL 69 -4.565 -10.258 6.245 541 3HG2 VAL 69 HG23 VAL 69 -5.245 -10.026 4.634 542 H GLU 70 HN GLU 70 -3.732 -5.316 7.569 543 HA GLU 70 HA GLU 70 -6.482 -5.342 8.543 544 1HB GLU 70 HB2 GLU 70 -4.341 -3.229 8.856 545 2HB GLU 70 HB1 GLU 70 -5.888 -3.274 9.691 546 1HG GLU 70 HG2 GLU 70 -3.630 -5.239 9.997 547 2HG GLU 70 HG1 GLU 70 -4.117 -4.004 11.156 548 H GLU 71 HN GLU 71 -8.106 -4.303 7.564 549 HA GLU 71 HA GLU 71 -7.431 -2.466 5.365 550 1HB GLU 71 HB2 GLU 71 -9.927 -3.264 4.702 551 2HB GLU 71 HB1 GLU 71 -8.464 -4.029 4.107 552 1HG GLU 71 HG2 GLU 71 -9.987 -5.730 4.802 553 2HG GLU 71 HG1 GLU 71 -8.640 -5.694 5.933 554 H LYS 72 HN LYS 72 -7.672 -0.472 6.231 555 HA LYS 72 HA LYS 72 -10.111 0.032 7.796 556 1HB LYS 72 HB2 LYS 72 -7.476 1.487 7.696 557 2HB LYS 72 HB1 LYS 72 -8.912 2.222 8.389 558 1HG LYS 72 HG2 LYS 72 -7.684 1.335 10.189 559 2HG LYS 72 HG1 LYS 72 -9.040 0.236 9.937 560 1HD LYS 72 HD2 LYS 72 -7.601 -1.302 8.736 561 2HD LYS 72 HD1 LYS 72 -6.246 -0.184 8.889 562 1HE LYS 72 HE2 LYS 72 -6.051 -1.949 10.535 563 2HE LYS 72 HE1 LYS 72 -6.360 -0.410 11.336 564 1HZ LYS 72 HZ1 LYS 72 -8.628 -1.020 11.682 565 2HZ LYS 72 HZ2 LYS 72 -7.658 -2.301 12.230 566 3HZ LYS 72 HZ3 LYS 72 -8.464 -2.424 10.740 567 H LEU 73 HN LEU 73 -11.632 0.414 6.258 568 HA LEU 73 HA LEU 73 -11.174 2.327 4.146 569 1HB LEU 73 HB2 LEU 73 -13.680 0.956 5.126 570 2HB LEU 73 HB1 LEU 73 -13.635 2.045 3.754 571 HG LEU 73 HG LEU 73 -12.124 -0.563 3.937 572 1HD1 LEU 73 HD11 LEU 73 -13.751 -1.377 2.304 573 2HD1 LEU 73 HD12 LEU 73 -14.633 0.146 2.420 574 3HD1 LEU 73 HD13 LEU 73 -14.532 -0.924 3.819 575 1HD2 LEU 73 HD21 LEU 73 -11.710 -0.209 1.553 576 2HD2 LEU 73 HD22 LEU 73 -11.019 1.091 2.525 577 3HD2 LEU 73 HD23 LEU 73 -12.523 1.354 1.642 578 H THR 74 HN THR 74 -10.750 4.321 4.987 579 HA THR 74 HA THR 74 -12.700 5.428 6.882 580 HB THR 74 HB THR 74 -11.075 7.258 7.224 581 HG1 THR 74 HG1 THR 74 -9.640 5.848 5.220 582 1HG2 THR 74 HG21 THR 74 -9.325 5.961 8.345 583 2HG2 THR 74 HG22 THR 74 -9.844 4.513 7.484 584 3HG2 THR 74 HG23 THR 74 -10.923 5.281 8.650 585 H TYR 75 HN TYR 75 -14.387 6.397 5.891 586 HA TYR 75 HA TYR 75 -13.819 8.203 3.685 587 1HB TYR 75 HB2 TYR 75 -15.648 7.249 2.297 588 2HB TYR 75 HB1 TYR 75 -14.279 6.167 2.498 589 HD1 TYR 75 HD1 TYR 75 -17.802 6.488 2.701 590 HD2 TYR 75 HD2 TYR 75 -14.516 4.340 4.336 591 HE1 TYR 75 HE1 TYR 75 -19.333 4.709 3.425 592 HE2 TYR 75 HE2 TYR 75 -16.038 2.556 5.066 593 HH TYR 75 HH TYR 75 -19.158 2.228 3.944 594 H THR 76 HN THR 76 -14.961 9.974 3.711 595 HA THR 76 HA THR 76 -17.106 10.216 5.682 596 HB THR 76 HB THR 76 -16.743 12.701 5.307 597 HG1 THR 76 HG1 THR 76 -15.016 13.339 4.132 598 1HG2 THR 76 HG21 THR 76 -15.851 11.534 7.265 599 2HG2 THR 76 HG22 THR 76 -14.733 12.779 6.707 600 3HG2 THR 76 HG23 THR 76 -14.415 11.082 6.347 601 H ASP 77 HN ASP 77 -16.339 11.693 2.586 602 HA ASP 77 HA ASP 77 -18.678 10.829 1.247 603 1HB ASP 77 HB2 ASP 77 -20.031 12.757 1.193 604 2HB ASP 77 HB1 ASP 77 -19.579 12.603 2.886 605 H THR 78 HN THR 78 -16.028 13.105 1.516 606 HA THR 78 HA THR 78 -16.126 13.790 -1.295 607 HB THR 78 HB THR 78 -14.039 14.564 0.750 608 HG1 THR 78 HG1 THR 78 -16.652 15.275 0.544 609 1HG2 THR 78 HG21 THR 78 -13.675 16.481 -0.739 610 2HG2 THR 78 HG22 THR 78 -14.879 15.842 -1.857 611 3HG2 THR 78 HG23 THR 78 -13.381 14.956 -1.575 612 H TYR 79 HN TYR 79 -14.207 11.774 0.852 613 HA TYR 79 HA TYR 79 -12.960 10.536 -1.455 614 1HB TYR 79 HB2 TYR 79 -10.698 10.814 -0.687 615 2HB TYR 79 HB1 TYR 79 -11.437 12.410 -0.752 616 HD1 TYR 79 HD1 TYR 79 -12.203 13.478 1.405 617 HD2 TYR 79 HD2 TYR 79 -9.814 9.962 1.316 618 HE1 TYR 79 HE1 TYR 79 -11.575 13.855 3.752 619 HE2 TYR 79 HE2 TYR 79 -9.178 10.325 3.666 620 HH TYR 79 HH TYR 79 -9.041 12.171 5.278 621 H ALA 80 HN ALA 80 -11.901 8.533 -0.926 622 HA ALA 80 HA ALA 80 -12.646 7.412 1.690 623 1HB ALA 80 HB1 ALA 80 -12.751 5.981 -0.969 624 2HB ALA 80 HB2 ALA 80 -14.145 6.532 -0.040 625 3HB ALA 80 HB3 ALA 80 -13.099 5.269 0.607 626 H GLN 81 HN GLN 81 -10.813 7.113 2.746 627 HA GLN 81 HA GLN 81 -8.357 6.518 1.272 628 1HB GLN 81 HB2 GLN 81 -8.742 8.366 3.162 629 2HB GLN 81 HB1 GLN 81 -8.408 7.007 4.218 630 1HG GLN 81 HG2 GLN 81 -6.565 7.845 2.002 631 2HG GLN 81 HG1 GLN 81 -6.450 8.468 3.646 632 1HE2 GLN 81 HE21 GLN 81 -5.774 7.100 5.295 633 2HE2 GLN 81 HE22 GLN 81 -4.968 5.608 4.972 634 H GLU 82 HN GLU 82 -8.126 4.385 0.965 635 HA GLU 82 HA GLU 82 -8.960 2.513 3.030 636 1HB GLU 82 HB2 GLU 82 -9.426 1.995 0.648 637 2HB GLU 82 HB1 GLU 82 -7.697 1.974 0.329 638 1HG GLU 82 HG2 GLU 82 -7.429 0.082 1.838 639 2HG GLU 82 HG1 GLU 82 -9.154 0.114 2.198 640 H ASN 83 HN ASN 83 -7.549 2.858 4.687 641 HA ASN 83 HA ASN 83 -4.694 2.862 4.255 642 1HB ASN 83 HB2 ASN 83 -5.906 4.118 6.124 643 2HB ASN 83 HB1 ASN 83 -6.133 2.557 6.899 644 1HD2 ASN 83 HD21 ASN 83 -3.494 1.545 6.059 645 2HD2 ASN 83 HD22 ASN 83 -2.338 2.374 7.038 646 H VAL 84 HN VAL 84 -3.796 1.010 3.630 647 HA VAL 84 HA VAL 84 -4.890 -1.488 4.779 648 HB VAL 84 HB VAL 84 -3.112 -1.161 2.351 649 1HG1 VAL 84 HG11 VAL 84 -2.826 -3.329 3.422 650 2HG1 VAL 84 HG12 VAL 84 -3.671 -3.499 1.883 651 3HG1 VAL 84 HG13 VAL 84 -4.571 -3.585 3.398 652 1HG2 VAL 84 HG21 VAL 84 -5.115 -1.708 1.047 653 2HG2 VAL 84 HG22 VAL 84 -5.313 -0.210 1.958 654 3HG2 VAL 84 HG23 VAL 84 -6.075 -1.695 2.527 655 H THR 85 HN THR 85 -3.580 -2.939 5.844 656 HA THR 85 HA THR 85 -0.726 -2.280 6.046 657 HB THR 85 HB THR 85 -2.440 -3.080 8.411 658 HG1 THR 85 HG1 THR 85 -1.724 -0.621 7.331 659 1HG2 THR 85 HG21 THR 85 0.458 -2.226 8.248 660 2HG2 THR 85 HG22 THR 85 -0.117 -3.864 8.561 661 3HG2 THR 85 HG23 THR 85 -0.431 -2.581 9.730 662 H ILE 86 HN ILE 86 0.066 -3.935 4.905 663 HA ILE 86 HA ILE 86 -0.965 -6.638 5.325 664 HB ILE 86 HB ILE 86 1.081 -5.632 3.333 665 1HG1 ILE 86 HG12 ILE 86 -1.830 -6.358 2.922 666 2HG1 ILE 86 HG11 ILE 86 -1.199 -4.716 2.980 667 1HG2 ILE 86 HG21 ILE 86 0.745 -7.790 2.218 668 2HG2 ILE 86 HG22 ILE 86 -0.324 -8.295 3.527 669 3HG2 ILE 86 HG23 ILE 86 1.383 -7.989 3.850 670 1HD1 ILE 86 HD11 ILE 86 -0.489 -6.806 0.934 671 2HD1 ILE 86 HD12 ILE 86 0.139 -5.159 0.990 672 3HD1 ILE 86 HD13 ILE 86 -1.577 -5.438 0.695 673 H ASP 87 HN ASP 87 -0.049 -7.782 6.909 674 HA ASP 87 HA ASP 87 2.624 -7.179 7.832 675 1HB ASP 87 HB2 ASP 87 0.875 -7.753 9.455 676 2HB ASP 87 HB1 ASP 87 0.693 -9.338 8.707 677 H MET 88 HN MET 88 4.404 -8.073 7.059 678 HA MET 88 HA MET 88 4.151 -10.257 5.138 679 1HB MET 88 HB2 MET 88 6.486 -8.469 5.823 680 2HB MET 88 HB1 MET 88 6.521 -9.724 4.597 681 1HG MET 88 HG2 MET 88 4.623 -8.499 3.473 682 2HG MET 88 HG1 MET 88 4.938 -7.177 4.596 683 1HE MET 88 HE1 MET 88 4.965 -6.874 1.478 684 2HE MET 88 HE2 MET 88 6.452 -5.994 1.127 685 3HE MET 88 HE3 MET 88 5.428 -5.492 2.468 686 H GLU 89 HN GLU 89 4.133 -10.584 8.194 687 HA GLU 89 HA GLU 89 6.390 -12.469 8.315 688 1HB GLU 89 HB2 GLU 89 4.838 -11.192 10.576 689 2HB GLU 89 HB1 GLU 89 6.132 -12.368 10.778 690 1HG GLU 89 HG2 GLU 89 7.681 -10.808 9.659 691 2HG GLU 89 HG1 GLU 89 6.380 -9.624 9.564 692 H LYS 90 HN LYS 90 3.260 -12.405 7.573 693 HA LYS 90 HA LYS 90 2.916 -15.224 8.230 694 1HB LYS 90 HB2 LYS 90 1.850 -13.808 10.049 695 2HB LYS 90 HB1 LYS 90 0.742 -13.207 8.826 696 1HG LYS 90 HG2 LYS 90 0.020 -15.560 8.426 697 2HG LYS 90 HG1 LYS 90 1.014 -16.039 9.805 698 1HD LYS 90 HD2 LYS 90 -0.280 -14.499 11.233 699 2HD LYS 90 HD1 LYS 90 -1.302 -14.105 9.850 700 1HE LYS 90 HE2 LYS 90 -2.394 -15.751 11.249 701 2HE LYS 90 HE1 LYS 90 -1.969 -16.465 9.694 702 1HZ LYS 90 HZ1 LYS 90 -0.275 -16.739 12.111 703 2HZ LYS 90 HZ2 LYS 90 -0.166 -17.619 10.663 704 3HZ LYS 90 HZ3 LYS 90 -1.485 -17.855 11.703 705 H VAL 91 HN VAL 91 3.288 -13.330 5.840 706 HA VAL 91 HA VAL 91 0.803 -13.061 4.511 707 HB VAL 91 HB VAL 91 2.419 -12.843 2.422 708 1HG1 VAL 91 HG11 VAL 91 2.690 -10.469 2.971 709 2HG1 VAL 91 HG12 VAL 91 2.212 -10.811 4.635 710 3HG1 VAL 91 HG13 VAL 91 1.063 -11.054 3.318 711 1HG2 VAL 91 HG21 VAL 91 4.407 -13.657 3.558 712 2HG2 VAL 91 HG22 VAL 91 4.259 -12.379 4.764 713 3HG2 VAL 91 HG23 VAL 91 4.610 -11.970 3.085 714 H ASP 92 HN ASP 92 -0.306 -14.332 3.243 715 HA ASP 92 HA ASP 92 0.907 -16.791 2.209 716 1HB ASP 92 HB2 ASP 92 -1.251 -17.068 3.361 717 2HB ASP 92 HB1 ASP 92 -1.993 -15.909 2.261 718 H PHE 93 HN PHE 93 1.851 -16.522 0.293 719 HA PHE 93 HA PHE 93 1.173 -14.238 -1.325 720 1HB PHE 93 HB2 PHE 93 3.263 -16.390 -1.637 721 2HB PHE 93 HB1 PHE 93 3.042 -15.079 -2.792 722 HD1 PHE 93 HD1 PHE 93 2.939 -12.673 -1.626 723 HD2 PHE 93 HD2 PHE 93 4.882 -16.110 -0.041 724 HE1 PHE 93 HE1 PHE 93 4.395 -11.221 -0.277 725 HE2 PHE 93 HE2 PHE 93 6.341 -14.664 1.312 726 HZ PHE 93 HZ PHE 93 6.099 -12.217 1.195 727 H LYS 94 HN LYS 94 0.049 -17.385 -1.131 728 HA LYS 94 HA LYS 94 -0.467 -17.958 -3.859 729 1HB LYS 94 HB2 LYS 94 -2.042 -18.805 -1.417 730 2HB LYS 94 HB1 LYS 94 -2.160 -19.526 -3.014 731 1HG LYS 94 HG2 LYS 94 0.058 -20.400 -2.857 732 2HG LYS 94 HG1 LYS 94 0.348 -19.519 -1.353 733 1HD LYS 94 HD2 LYS 94 -1.464 -20.809 -0.284 734 2HD LYS 94 HD1 LYS 94 -1.666 -21.725 -1.778 735 1HE LYS 94 HE2 LYS 94 0.524 -22.657 -1.582 736 2HE LYS 94 HE1 LYS 94 0.916 -21.587 -0.235 737 1HZ LYS 94 HZ1 LYS 94 -0.780 -22.688 1.089 738 2HZ LYS 94 HZ2 LYS 94 0.371 -23.806 0.541 739 3HZ LYS 94 HZ3 LYS 94 -1.153 -23.724 -0.203 740 H ALA 95 HN ALA 95 -2.593 -16.720 -1.290 741 HA ALA 95 HA ALA 95 -4.675 -16.002 -3.103 742 1HB ALA 95 HB1 ALA 95 -5.736 -14.978 -1.163 743 2HB ALA 95 HB2 ALA 95 -4.239 -15.141 -0.245 744 3HB ALA 95 HB3 ALA 95 -5.116 -16.580 -0.766 745 H LEU 96 HN LEU 96 -1.974 -14.315 -1.648 746 HA LEU 96 HA LEU 96 -2.758 -11.674 -1.960 747 1HB LEU 96 HB2 LEU 96 -0.779 -12.473 -0.701 748 2HB LEU 96 HB1 LEU 96 0.036 -12.787 -2.218 749 HG LEU 96 HG LEU 96 -0.936 -10.011 -1.710 750 1HD1 LEU 96 HD11 LEU 96 0.114 -10.635 0.403 751 2HD1 LEU 96 HD12 LEU 96 1.118 -9.489 -0.485 752 3HD1 LEU 96 HD13 LEU 96 1.541 -11.201 -0.464 753 1HD2 LEU 96 HD21 LEU 96 1.548 -11.159 -2.988 754 2HD2 LEU 96 HD22 LEU 96 1.106 -9.452 -2.935 755 3HD2 LEU 96 HD23 LEU 96 0.114 -10.592 -3.844 756 H GLN 97 HN GLN 97 -1.525 -13.901 -4.361 757 HA GLN 97 HA GLN 97 -0.802 -12.011 -6.329 758 1HB GLN 97 HB2 GLN 97 -1.613 -14.907 -6.526 759 2HB GLN 97 HB1 GLN 97 -1.086 -13.964 -7.915 760 1HG GLN 97 HG2 GLN 97 0.543 -14.463 -5.432 761 2HG GLN 97 HG1 GLN 97 0.715 -15.324 -6.961 762 1HE2 GLN 97 HE21 GLN 97 1.224 -12.315 -5.294 763 2HE2 GLN 97 HE22 GLN 97 2.255 -11.599 -6.480 764 H GLY 98 HN GLY 98 -3.881 -13.136 -5.274 765 1HA GLY 98 HA2 GLY 98 -5.152 -11.938 -7.656 766 2HA GLY 98 HA1 GLY 98 -5.921 -13.100 -6.583 767 H ILE 99 HN ILE 99 -4.149 -10.945 -4.777 768 HA ILE 99 HA ILE 99 -6.582 -9.421 -4.133 769 HB ILE 99 HB ILE 99 -4.136 -9.745 -2.394 770 1HG1 ILE 99 HG12 ILE 99 -5.175 -11.934 -2.752 771 2HG1 ILE 99 HG11 ILE 99 -5.441 -11.379 -1.103 772 1HG2 ILE 99 HG21 ILE 99 -6.927 -8.776 -1.785 773 2HG2 ILE 99 HG22 ILE 99 -5.477 -7.778 -1.900 774 3HG2 ILE 99 HG23 ILE 99 -5.628 -8.970 -0.608 775 1HD1 ILE 99 HD11 ILE 99 -7.434 -12.402 -1.977 776 2HD1 ILE 99 HD12 ILE 99 -7.427 -11.300 -3.355 777 3HD1 ILE 99 HD13 ILE 99 -7.700 -10.675 -1.728 778 H SER 100 HN SER 100 -3.228 -8.718 -3.388 779 HA SER 100 HA SER 100 -3.546 -6.017 -4.387 780 1HB SER 100 HB2 SER 100 -1.078 -7.241 -3.145 781 2HB SER 100 HB1 SER 100 -1.511 -5.533 -3.234 782 HG SER 100 HG SER 100 -3.258 -5.974 -1.817 783 H GLY 101 HN GLY 101 -2.059 -9.018 -5.265 784 1HA GLY 101 HA2 GLY 101 -1.220 -9.664 -7.313 785 2HA GLY 101 HA1 GLY 101 -1.495 -8.038 -7.904 786 H ILE 102 HN ILE 102 0.009 -6.390 -6.961 787 HA ILE 102 HA ILE 102 2.115 -5.516 -7.049 788 HB ILE 102 HB ILE 102 3.052 -8.035 -5.658 789 1HG1 ILE 102 HG12 ILE 102 1.757 -5.595 -4.408 790 2HG1 ILE 102 HG11 ILE 102 1.009 -7.183 -4.544 791 1HG2 ILE 102 HG21 ILE 102 4.801 -6.475 -6.350 792 2HG2 ILE 102 HG22 ILE 102 4.655 -6.509 -4.593 793 3HG2 ILE 102 HG23 ILE 102 3.978 -5.162 -5.508 794 1HD1 ILE 102 HD11 ILE 102 3.483 -6.527 -2.960 795 2HD1 ILE 102 HD12 ILE 102 2.735 -8.119 -3.097 796 3HD1 ILE 102 HD13 ILE 102 1.867 -6.802 -2.308 797 H ASN 103 HN ASN 103 1.276 -6.801 -9.316 798 HA ASN 103 HA ASN 103 3.196 -8.742 -10.201 799 1HB ASN 103 HB2 ASN 103 1.899 -8.571 -12.378 800 2HB ASN 103 HB1 ASN 103 0.999 -9.117 -10.972 801 1HD2 ASN 103 HD21 ASN 103 1.879 -5.783 -11.849 802 2HD2 ASN 103 HD22 ASN 103 0.245 -5.230 -12.016 803 H VAL 104 HN VAL 104 4.234 -6.106 -9.556 804 HA VAL 104 HA VAL 104 5.111 -4.924 -12.024 805 HB VAL 104 HB VAL 104 6.380 -4.673 -9.288 806 1HG1 VAL 104 HG11 VAL 104 7.830 -3.948 -11.106 807 2HG1 VAL 104 HG12 VAL 104 7.285 -2.567 -10.153 808 3HG1 VAL 104 HG13 VAL 104 6.553 -2.899 -11.723 809 1HG2 VAL 104 HG21 VAL 104 4.257 -2.953 -10.566 810 2HG2 VAL 104 HG22 VAL 104 5.081 -2.607 -9.045 811 3HG2 VAL 104 HG23 VAL 104 4.039 -4.023 -9.181 812 H SER 105 HN SER 105 6.414 -7.119 -9.621 813 HA SER 105 HA SER 105 8.036 -8.367 -11.696 814 1HB SER 105 HB2 SER 105 9.617 -6.918 -10.505 815 2HB SER 105 HB1 SER 105 9.100 -7.595 -8.961 816 HG SER 105 HG SER 105 11.089 -8.486 -10.017 817 H ALA 106 HN ALA 106 7.511 -10.445 -11.753 818 HA ALA 106 HA ALA 106 5.833 -11.660 -9.838 819 1HB ALA 106 HB1 ALA 106 6.182 -13.714 -11.103 820 2HB ALA 106 HB2 ALA 106 7.534 -12.970 -11.957 821 3HB ALA 106 HB3 ALA 106 5.898 -12.352 -12.187 822 H GLU 107 HN GLU 107 9.258 -11.388 -10.136 823 HA GLU 107 HA GLU 107 10.002 -13.601 -8.529 824 1HB GLU 107 HB2 GLU 107 11.538 -11.051 -9.052 825 2HB GLU 107 HB1 GLU 107 12.208 -12.580 -8.497 826 1HG GLU 107 HG2 GLU 107 10.933 -12.053 -11.170 827 2HG GLU 107 HG1 GLU 107 12.652 -12.276 -10.848 828 H ASP 108 HN ASP 108 9.145 -10.284 -7.849 829 HA ASP 108 HA ASP 108 10.140 -10.318 -5.155 830 1HB ASP 108 HB2 ASP 108 10.085 -8.231 -6.426 831 2HB ASP 108 HB1 ASP 108 8.339 -8.356 -6.596 832 H ALA 109 HN ALA 109 6.901 -10.194 -6.608 833 HA ALA 109 HA ALA 109 5.544 -10.271 -4.133 834 1HB ALA 109 HB1 ALA 109 4.592 -9.291 -6.159 835 2HB ALA 109 HB2 ALA 109 3.524 -10.502 -5.448 836 3HB ALA 109 HB3 ALA 109 4.479 -10.898 -6.877 837 H LYS 110 HN LYS 110 6.623 -12.844 -6.277 838 HA LYS 110 HA LYS 110 4.841 -14.764 -5.014 839 1HB LYS 110 HB2 LYS 110 6.922 -15.115 -7.170 840 2HB LYS 110 HB1 LYS 110 5.881 -16.399 -6.575 841 1HG LYS 110 HG2 LYS 110 3.917 -15.168 -7.348 842 2HG LYS 110 HG1 LYS 110 4.966 -13.878 -7.945 843 1HD LYS 110 HD2 LYS 110 6.062 -15.492 -9.443 844 2HD LYS 110 HD1 LYS 110 4.968 -16.750 -8.870 845 1HE LYS 110 HE2 LYS 110 4.172 -14.221 -10.307 846 2HE LYS 110 HE1 LYS 110 4.233 -15.836 -11.009 847 1HZ LYS 110 HZ1 LYS 110 2.572 -16.468 -9.228 848 2HZ LYS 110 HZ2 LYS 110 2.003 -15.465 -10.473 849 3HZ LYS 110 HZ3 LYS 110 2.369 -14.804 -8.955 850 H LYS 111 HN LYS 111 8.264 -13.947 -4.962 851 HA LYS 111 HA LYS 111 8.877 -16.409 -3.528 852 1HB LYS 111 HB2 LYS 111 10.627 -14.234 -4.666 853 2HB LYS 111 HB1 LYS 111 11.251 -15.594 -3.742 854 1HG LYS 111 HG2 LYS 111 10.489 -17.151 -5.385 855 2HG LYS 111 HG1 LYS 111 9.626 -15.883 -6.257 856 1HD LYS 111 HD2 LYS 111 11.678 -14.827 -6.885 857 2HD LYS 111 HD1 LYS 111 12.609 -15.898 -5.836 858 1HE LYS 111 HE2 LYS 111 12.044 -17.800 -7.210 859 2HE LYS 111 HE1 LYS 111 10.982 -16.806 -8.205 860 1HZ LYS 111 HZ1 LYS 111 12.769 -15.710 -9.164 861 2HZ LYS 111 HZ2 LYS 111 13.315 -17.314 -9.067 862 3HZ LYS 111 HZ3 LYS 111 13.851 -16.164 -7.939 863 H GLY 112 HN GLY 112 8.021 -13.259 -2.748 864 1HA GLY 112 HA2 GLY 112 7.643 -12.824 -0.374 865 2HA GLY 112 HA1 GLY 112 9.186 -13.608 -0.057 866 H ILE 113 HN ILE 113 7.754 -10.720 -0.080 867 HA ILE 113 HA ILE 113 9.382 -9.093 -1.676 868 HB ILE 113 HB ILE 113 8.060 -8.158 0.861 869 1HG1 ILE 113 HG12 ILE 113 6.421 -9.489 -0.407 870 2HG1 ILE 113 HG11 ILE 113 6.010 -7.779 -0.431 871 1HG2 ILE 113 HG21 ILE 113 7.804 -6.070 -0.441 872 2HG2 ILE 113 HG22 ILE 113 8.697 -6.821 -1.766 873 3HG2 ILE 113 HG23 ILE 113 9.488 -6.542 -0.215 874 1HD1 ILE 113 HD11 ILE 113 5.639 -8.808 -2.594 875 2HD1 ILE 113 HD12 ILE 113 7.329 -9.311 -2.661 876 3HD1 ILE 113 HD13 ILE 113 6.918 -7.596 -2.688 877 H THR 114 HN THR 114 11.405 -8.582 -1.471 878 HA THR 114 HA THR 114 12.662 -8.558 1.197 879 HB THR 114 HB THR 114 14.083 -8.937 -1.449 880 HG1 THR 114 HG1 THR 114 12.447 -10.624 -0.754 881 1HG2 THR 114 HG21 THR 114 14.910 -9.562 1.393 882 2HG2 THR 114 HG22 THR 114 15.487 -8.202 0.429 883 3HG2 THR 114 HG23 THR 114 15.876 -9.853 -0.054 884 H MET 115 HN MET 115 14.302 -6.815 1.497 885 HA MET 115 HA MET 115 13.246 -4.341 0.692 886 1HB MET 115 HB2 MET 115 14.643 -4.698 2.731 887 2HB MET 115 HB1 MET 115 16.056 -4.821 1.689 888 1HG MET 115 HG2 MET 115 15.835 -2.595 2.668 889 2HG MET 115 HG1 MET 115 15.718 -2.554 0.908 890 1HE MET 115 HE1 MET 115 14.600 -0.204 0.765 891 2HE MET 115 HE2 MET 115 14.826 -0.051 2.507 892 3HE MET 115 HE3 MET 115 13.257 0.311 1.787 893 H ALA 116 HN ALA 116 16.024 -6.159 -0.540 894 HA ALA 116 HA ALA 116 16.934 -4.270 -2.400 895 1HB ALA 116 HB1 ALA 116 18.221 -6.254 -1.770 896 2HB ALA 116 HB2 ALA 116 18.027 -6.145 -3.520 897 3HB ALA 116 HB3 ALA 116 17.045 -7.280 -2.593 898 H GLN 117 HN GLN 117 14.431 -6.715 -2.587 899 HA GLN 117 HA GLN 117 13.787 -6.346 -5.329 900 1HB GLN 117 HB2 GLN 117 12.456 -7.639 -2.982 901 2HB GLN 117 HB1 GLN 117 11.535 -7.370 -4.457 902 1HG GLN 117 HG2 GLN 117 12.816 -8.819 -5.687 903 2HG GLN 117 HG1 GLN 117 14.193 -8.707 -4.594 904 1HE2 GLN 117 HE21 GLN 117 10.892 -9.217 -3.532 905 2HE2 GLN 117 HE22 GLN 117 11.133 -10.851 -2.985 906 H MET 118 HN MET 118 11.832 -5.436 -2.484 907 HA MET 118 HA MET 118 9.996 -3.833 -3.643 908 1HB MET 118 HB2 MET 118 10.079 -4.382 -1.236 909 2HB MET 118 HB1 MET 118 11.386 -3.225 -1.029 910 1HG MET 118 HG2 MET 118 9.791 -1.770 -0.508 911 2HG MET 118 HG1 MET 118 9.462 -1.709 -2.237 912 1HE MET 118 HE1 MET 118 7.543 -3.144 -3.424 913 2HE MET 118 HE2 MET 118 6.442 -4.217 -2.559 914 3HE MET 118 HE3 MET 118 8.147 -4.642 -2.716 915 H GLU 119 HN GLU 119 13.254 -2.746 -2.658 916 HA GLU 119 HA GLU 119 12.987 -0.059 -3.383 917 1HB GLU 119 HB2 GLU 119 15.215 -1.905 -2.860 918 2HB GLU 119 HB1 GLU 119 15.617 -0.552 -3.908 919 1HG GLU 119 HG2 GLU 119 14.304 -0.250 -1.220 920 2HG GLU 119 HG1 GLU 119 16.046 -0.175 -1.481 921 H LEU 120 HN LEU 120 14.666 -2.576 -5.298 922 HA LEU 120 HA LEU 120 14.979 -0.937 -7.574 923 1HB LEU 120 HB2 LEU 120 15.010 -3.937 -7.277 924 2HB LEU 120 HB1 LEU 120 15.490 -3.097 -8.735 925 HG LEU 120 HG LEU 120 16.835 -2.869 -6.042 926 1HD1 LEU 120 HD11 LEU 120 17.728 -4.178 -8.606 927 2HD1 LEU 120 HD12 LEU 120 17.242 -5.009 -7.128 928 3HD1 LEU 120 HD13 LEU 120 18.696 -4.011 -7.142 929 1HD2 LEU 120 HD21 LEU 120 18.526 -1.556 -7.229 930 2HD2 LEU 120 HD22 LEU 120 16.948 -0.771 -7.276 931 3HD2 LEU 120 HD23 LEU 120 17.550 -1.626 -8.696 932 H VAL 121 HN VAL 121 12.429 -2.967 -6.504 933 HA VAL 121 HA VAL 121 11.151 -3.280 -9.048 934 HB VAL 121 HB VAL 121 10.554 -4.116 -6.233 935 1HG1 VAL 121 HG11 VAL 121 8.388 -3.466 -7.181 936 2HG1 VAL 121 HG12 VAL 121 8.529 -5.206 -6.915 937 3HG1 VAL 121 HG13 VAL 121 8.682 -4.548 -8.546 938 1HG2 VAL 121 HG21 VAL 121 12.129 -5.437 -7.497 939 2HG2 VAL 121 HG22 VAL 121 10.971 -5.605 -8.817 940 3HG2 VAL 121 HG23 VAL 121 10.640 -6.352 -7.254 941 H MET 122 HN MET 122 10.604 -1.290 -6.142 942 HA MET 122 HA MET 122 8.254 -0.069 -7.235 943 1HB MET 122 HB2 MET 122 10.007 0.559 -4.880 944 2HB MET 122 HB1 MET 122 8.747 1.678 -5.389 945 1HG MET 122 HG2 MET 122 8.357 -1.194 -4.575 946 2HG MET 122 HG1 MET 122 7.948 0.231 -3.619 947 1HE MET 122 HE1 MET 122 5.959 -2.229 -4.404 948 2HE MET 122 HE2 MET 122 4.473 -1.340 -4.741 949 3HE MET 122 HE3 MET 122 5.470 -0.898 -3.354 950 H LYS 123 HN LYS 123 11.683 0.625 -7.309 951 HA LYS 123 HA LYS 123 11.445 3.157 -8.585 952 1HB LYS 123 HB2 LYS 123 13.625 1.179 -8.169 953 2HB LYS 123 HB1 LYS 123 13.825 2.310 -9.498 954 1HG LYS 123 HG2 LYS 123 14.908 3.137 -7.496 955 2HG LYS 123 HG1 LYS 123 13.566 4.184 -7.952 956 1HD LYS 123 HD2 LYS 123 12.160 3.089 -6.253 957 2HD LYS 123 HD1 LYS 123 13.531 2.080 -5.786 958 1HE LYS 123 HE2 LYS 123 14.792 4.080 -5.164 959 2HE LYS 123 HE1 LYS 123 13.430 5.092 -5.642 960 1HZ LYS 123 HZ1 LYS 123 13.482 3.111 -3.421 961 2HZ LYS 123 HZ2 LYS 123 12.101 3.946 -3.933 962 3HZ LYS 123 HZ3 LYS 123 13.405 4.805 -3.282 963 H ALA 124 HN ALA 124 11.579 -0.169 -9.709 964 HA ALA 124 HA ALA 124 11.577 0.400 -12.484 965 1HB ALA 124 HB1 ALA 124 12.217 -1.785 -11.622 966 2HB ALA 124 HB2 ALA 124 10.868 -1.938 -12.746 967 3HB ALA 124 HB3 ALA 124 10.583 -2.038 -11.010 968 H ALA 125 HN ALA 125 9.083 0.203 -10.050 969 HA ALA 125 HA ALA 125 6.871 0.109 -11.835 970 1HB ALA 125 HB1 ALA 125 6.885 -0.566 -9.399 971 2HB ALA 125 HB2 ALA 125 5.510 0.403 -9.920 972 3HB ALA 125 HB3 ALA 125 6.822 1.155 -9.015 973 H GLY 126 HN GLY 126 9.027 2.572 -10.971 974 1HA GLY 126 HA2 GLY 126 9.165 4.727 -11.784 975 2HA GLY 126 HA1 GLY 126 7.649 4.459 -12.630 976 H PHE 127 HN PHE 127 7.913 3.934 -9.202 977 HA PHE 127 HA PHE 127 5.995 6.089 -8.773 978 1HB PHE 127 HB2 PHE 127 6.978 3.909 -6.920 979 2HB PHE 127 HB1 PHE 127 5.756 5.106 -6.504 980 HD1 PHE 127 HD1 PHE 127 4.361 5.101 -9.226 981 HD2 PHE 127 HD2 PHE 127 5.653 1.973 -6.648 982 HE1 PHE 127 HE1 PHE 127 2.603 3.637 -10.127 983 HE2 PHE 127 HE2 PHE 127 3.895 0.504 -7.543 984 HZ PHE 127 HZ PHE 127 2.368 1.335 -9.288 985 H LYS 128 HN LYS 128 6.292 7.639 -7.056 986 HA LYS 128 HA LYS 128 9.126 8.322 -6.763 987 1HB LYS 128 HB2 LYS 128 8.284 10.638 -6.265 988 2HB LYS 128 HB1 LYS 128 7.982 10.072 -7.898 989 1HG LYS 128 HG2 LYS 128 5.661 9.598 -7.319 990 2HG LYS 128 HG1 LYS 128 5.962 10.130 -5.662 991 1HD LYS 128 HD2 LYS 128 6.442 12.369 -6.415 992 2HD LYS 128 HD1 LYS 128 6.337 11.867 -8.102 993 1HE LYS 128 HE2 LYS 128 4.309 13.007 -7.494 994 2HE LYS 128 HE1 LYS 128 3.954 11.299 -7.740 995 1HZ LYS 128 HZ1 LYS 128 4.010 10.994 -5.329 996 2HZ LYS 128 HZ2 LYS 128 2.837 12.129 -5.782 997 3HZ LYS 128 HZ3 LYS 128 4.300 12.648 -5.113 998 H GLU 129 HN GLU 129 10.041 8.082 -4.869 999 HA GLU 129 HA GLU 129 8.421 7.485 -2.556 1000 1HB GLU 129 HB2 GLU 129 10.542 7.090 -1.397 1001 2HB GLU 129 HB1 GLU 129 10.470 6.209 -2.915 1002 1HG GLU 129 HG2 GLU 129 12.004 7.643 -3.950 1003 2HG GLU 129 HG1 GLU 129 11.825 8.874 -2.700 1004 H VAL 130 HN VAL 130 8.061 8.744 -0.829 1005 HA VAL 130 HA VAL 130 9.063 11.501 -0.977 1006 HB VAL 130 HB VAL 130 7.181 12.108 0.499 1007 1HG1 VAL 130 HG11 VAL 130 6.884 12.264 -1.906 1008 2HG1 VAL 130 HG12 VAL 130 5.374 11.799 -1.122 1009 3HG1 VAL 130 HG13 VAL 130 6.341 10.587 -1.962 1010 1HG2 VAL 130 HG21 VAL 130 5.396 10.499 0.964 1011 2HG2 VAL 130 HG22 VAL 130 6.922 10.001 1.694 1012 3HG2 VAL 130 HG23 VAL 130 6.355 9.221 0.217 1013 H LYS 131 HN LYS 131 9.824 8.688 0.358 1014 HA LYS 131 HA LYS 131 10.927 7.921 2.171 1015 1HB LYS 131 HB2 LYS 131 11.579 10.857 2.483 1016 2HB LYS 131 HB1 LYS 131 12.294 9.588 3.472 1017 1HG LYS 131 HG2 LYS 131 13.408 8.636 1.626 1018 2HG LYS 131 HG1 LYS 131 12.464 9.579 0.473 1019 1HD LYS 131 HD2 LYS 131 13.545 11.611 1.171 1020 2HD LYS 131 HD1 LYS 131 14.383 10.765 2.473 1021 1HE LYS 131 HE2 LYS 131 15.830 11.198 0.518 1022 2HE LYS 131 HE1 LYS 131 15.660 9.482 0.882 1023 1HZ LYS 131 HZ1 LYS 131 15.506 10.054 -1.517 1024 2HZ LYS 131 HZ2 LYS 131 14.061 10.882 -1.195 1025 3HZ LYS 131 HZ3 LYS 131 14.158 9.210 -0.923 1026 H LEU 132 HN LEU 132 10.316 10.841 3.950 1027 HA LEU 132 HA LEU 132 7.630 10.119 4.722 1028 1HB LEU 132 HB2 LEU 132 9.775 10.416 6.843 1029 2HB LEU 132 HB1 LEU 132 8.049 10.333 7.140 1030 HG LEU 132 HG LEU 132 9.536 8.056 5.850 1031 1HD1 LEU 132 HD11 LEU 132 9.038 8.507 8.793 1032 2HD1 LEU 132 HD12 LEU 132 10.610 8.530 7.992 1033 3HD1 LEU 132 HD13 LEU 132 9.680 7.034 8.065 1034 1HD2 LEU 132 HD21 LEU 132 7.640 6.767 6.708 1035 2HD2 LEU 132 HD22 LEU 132 7.104 8.061 5.637 1036 3HD2 LEU 132 HD23 LEU 132 6.943 8.239 7.384 1037 H GLU 133 HN GLU 133 9.389 12.186 3.379 1038 HA GLU 133 HA GLU 133 8.986 14.479 5.180 1039 1HB GLU 133 HB2 GLU 133 11.346 13.912 4.771 1040 2HB GLU 133 HB1 GLU 133 11.086 14.071 3.041 1041 1HG GLU 133 HG2 GLU 133 12.198 16.022 4.012 1042 2HG GLU 133 HG1 GLU 133 10.645 16.428 3.282 1043 H HIS 134 HN HIS 134 7.937 16.240 4.448 1044 HA HIS 134 HA HIS 134 7.095 16.225 1.620 1045 1HB HIS 134 HB2 HIS 134 5.261 15.680 3.288 1046 2HB HIS 134 HB1 HIS 134 5.445 17.319 3.905 1047 HD1 HIS 134 HD1 HIS 134 3.988 19.018 2.840 1048 HD2 HIS 134 HD2 HIS 134 4.568 15.699 0.399 1049 HE1 HIS 134 HE1 HIS 134 2.533 19.394 0.823 1050 HE2 HIS 134 HE2 HIS 134 3.112 17.504 -0.741 1051 H HIS 135 HN HIS 135 8.591 17.869 4.180 1052 HA HIS 135 HA HIS 135 8.322 20.500 2.905 1053 1HB HIS 135 HB2 HIS 135 7.968 20.173 5.399 1054 2HB HIS 135 HB1 HIS 135 9.683 19.804 5.521 1055 HD1 HIS 135 HD1 HIS 135 11.208 21.741 5.870 1056 HD2 HIS 135 HD2 HIS 135 7.481 22.908 4.437 1057 HE1 HIS 135 HE1 HIS 135 11.201 24.255 5.959 1058 HE2 HIS 135 HE2 HIS 135 8.971 24.947 5.012 1059 H HIS 136 HN HIS 136 9.851 18.233 1.823 1060 HA HIS 136 HA HIS 136 12.625 18.559 2.252 1061 1HB HIS 136 HB2 HIS 136 11.490 16.535 1.259 1062 2HB HIS 136 HB1 HIS 136 11.294 17.453 -0.229 1063 HD1 HIS 136 HD1 HIS 136 13.344 17.699 -1.748 1064 HD2 HIS 136 HD2 HIS 136 14.153 15.779 1.856 1065 HE1 HIS 136 HE1 HIS 136 15.645 16.712 -2.001 1066 HE2 HIS 136 HE2 HIS 136 16.022 15.387 0.113 1067 H HIS 137 HN HIS 137 10.335 20.241 0.303 1068 HA HIS 137 HA HIS 137 12.267 21.380 -1.503 1069 1HB HIS 137 HB2 HIS 137 9.855 20.950 -2.098 1070 2HB HIS 137 HB1 HIS 137 9.413 22.260 -1.011 1071 HD1 HIS 137 HD1 HIS 137 9.344 24.547 -2.013 1072 HD2 HIS 137 HD2 HIS 137 11.499 21.862 -4.349 1073 HE1 HIS 137 HE1 HIS 137 9.871 25.770 -4.143 1074 HE2 HIS 137 HE2 HIS 137 11.316 24.193 -5.467 1075 H HIS 138 HN HIS 138 13.761 22.439 -0.270 1076 HA HIS 138 HA HIS 138 13.208 24.245 1.830 1077 1HB HIS 138 HB2 HIS 138 15.412 23.209 1.499 1078 2HB HIS 138 HB1 HIS 138 15.601 24.071 -0.021 1079 HD1 HIS 138 HD1 HIS 138 16.689 26.309 0.082 1080 HD2 HIS 138 HD2 HIS 138 15.455 24.970 3.824 1081 HE1 HIS 138 HE1 HIS 138 17.619 27.961 1.737 1082 HE2 HIS 138 HE2 HIS 138 17.068 26.988 3.993 1083 H HIS 139 HN HIS 139 14.219 24.862 -1.515 1084 HA HIS 139 HA HIS 139 12.238 26.813 -1.991 1085 1HB HIS 139 HB2 HIS 139 13.862 28.106 -0.494 1086 2HB HIS 139 HB1 HIS 139 15.031 27.969 -1.803 1087 HD1 HIS 139 HD1 HIS 139 12.181 29.967 -0.636 1088 HD2 HIS 139 HD2 HIS 139 14.223 29.377 -4.215 1089 HE1 HIS 139 HE1 HIS 139 11.506 31.874 -2.128 1090 HE2 HIS 139 HE2 HIS 139 12.612 31.397 -4.342 Start of MODEL 2 1 1H MET 1 HT1 MET 1 20.035 5.111 14.911 2 2H MET 1 HT2 MET 1 19.974 4.873 13.231 3 3H MET 1 HT3 MET 1 19.631 3.583 14.282 4 HA MET 1 HA MET 1 17.704 4.814 15.127 5 1HB MET 1 HB2 MET 1 18.439 6.677 12.860 6 2HB MET 1 HB1 MET 1 16.873 6.682 13.659 7 1HG MET 1 HG2 MET 1 17.927 7.259 15.768 8 2HG MET 1 HG1 MET 1 19.514 7.198 15.005 9 1HE MET 1 HE1 MET 1 16.052 9.070 15.129 10 2HE MET 1 HE2 MET 1 16.201 8.628 13.428 11 3HE MET 1 HE3 MET 1 16.291 10.322 13.910 12 H GLY 2 HN GLY 2 18.429 4.824 11.618 13 1HA GLY 2 HA2 GLY 2 16.011 3.333 11.058 14 2HA GLY 2 HA1 GLY 2 17.225 3.838 9.889 15 H ASP 3 HN ASP 3 17.525 1.917 12.821 16 HA ASP 3 HA ASP 3 18.418 -0.382 11.226 17 1HB ASP 3 HB2 ASP 3 20.260 -0.773 12.787 18 2HB ASP 3 HB1 ASP 3 20.404 0.835 12.084 19 H LYS 4 HN LYS 4 17.090 0.903 14.189 20 HA LYS 4 HA LYS 4 16.466 -1.736 15.235 21 1HB LYS 4 HB2 LYS 4 15.619 0.903 16.423 22 2HB LYS 4 HB1 LYS 4 15.892 -0.632 17.246 23 1HG LYS 4 HG2 LYS 4 18.282 -0.468 16.734 24 2HG LYS 4 HG1 LYS 4 17.998 1.087 15.957 25 1HD LYS 4 HD2 LYS 4 17.041 1.839 18.195 26 2HD LYS 4 HD1 LYS 4 17.771 0.375 18.864 27 1HE LYS 4 HE2 LYS 4 19.140 2.694 17.523 28 2HE LYS 4 HE1 LYS 4 19.358 2.107 19.171 29 1HZ LYS 4 HZ1 LYS 4 20.408 0.129 18.332 30 2HZ LYS 4 HZ2 LYS 4 21.186 1.482 17.666 31 3HZ LYS 4 HZ3 LYS 4 20.101 0.581 16.723 32 H GLU 5 HN GLU 5 15.034 0.824 13.485 33 HA GLU 5 HA GLU 5 13.039 -0.777 12.416 34 1HB GLU 5 HB2 GLU 5 12.083 -0.344 14.787 35 2HB GLU 5 HB1 GLU 5 11.820 1.304 14.230 36 1HG GLU 5 HG2 GLU 5 10.359 0.543 12.490 37 2HG GLU 5 HG1 GLU 5 10.726 -1.137 12.857 38 H GLU 6 HN GLU 6 12.066 0.310 10.644 39 HA GLU 6 HA GLU 6 12.829 3.086 10.230 40 1HB GLU 6 HB2 GLU 6 14.806 1.871 9.493 41 2HB GLU 6 HB1 GLU 6 13.821 0.818 8.490 42 1HG GLU 6 HG2 GLU 6 14.961 2.454 7.136 43 2HG GLU 6 HG1 GLU 6 13.221 2.720 7.081 44 H SER 7 HN SER 7 11.750 4.059 8.454 45 HA SER 7 HA SER 7 9.528 2.501 7.353 46 1HB SER 7 HB2 SER 7 8.021 4.492 7.879 47 2HB SER 7 HB1 SER 7 8.498 3.484 9.246 48 HG SER 7 HG SER 7 10.321 5.137 9.365 49 H LYS 8 HN LYS 8 9.051 2.963 5.304 50 HA LYS 8 HA LYS 8 10.014 5.492 4.155 51 1HB LYS 8 HB2 LYS 8 11.112 2.971 3.581 52 2HB LYS 8 HB1 LYS 8 10.067 3.339 2.225 53 1HG LYS 8 HG2 LYS 8 11.233 5.418 1.829 54 2HG LYS 8 HG1 LYS 8 12.253 5.137 3.243 55 1HD LYS 8 HD2 LYS 8 13.173 3.140 2.212 56 2HD LYS 8 HD1 LYS 8 12.107 3.341 0.823 57 1HE LYS 8 HE2 LYS 8 13.213 5.426 0.249 58 2HE LYS 8 HE1 LYS 8 14.239 5.297 1.678 59 1HZ LYS 8 HZ1 LYS 8 15.291 3.375 0.785 60 2HZ LYS 8 HZ2 LYS 8 15.305 4.557 -0.429 61 3HZ LYS 8 HZ3 LYS 8 14.197 3.277 -0.509 62 H LYS 9 HN LYS 9 7.980 6.394 4.060 63 HA LYS 9 HA LYS 9 5.870 5.007 2.613 64 1HB LYS 9 HB2 LYS 9 5.245 6.414 4.535 65 2HB LYS 9 HB1 LYS 9 5.966 7.809 3.747 66 1HG LYS 9 HG2 LYS 9 4.321 7.493 1.882 67 2HG LYS 9 HG1 LYS 9 3.530 6.272 2.879 68 1HD LYS 9 HD2 LYS 9 3.997 9.115 3.768 69 2HD LYS 9 HD1 LYS 9 2.514 8.567 2.991 70 1HE LYS 9 HE2 LYS 9 3.631 7.404 5.539 71 2HE LYS 9 HE1 LYS 9 2.396 8.659 5.481 72 1HZ LYS 9 HZ1 LYS 9 1.354 6.537 5.759 73 2HZ LYS 9 HZ2 LYS 9 2.166 5.895 4.421 74 3HZ LYS 9 HZ3 LYS 9 0.993 7.101 4.203 75 H PHE 10 HN PHE 10 5.953 4.980 0.443 76 HA PHE 10 HA PHE 10 6.883 7.453 -0.849 77 1HB PHE 10 HB2 PHE 10 7.405 6.268 -2.790 78 2HB PHE 10 HB1 PHE 10 7.861 5.138 -1.526 79 HD1 PHE 10 HD1 PHE 10 6.853 3.013 -1.374 80 HD2 PHE 10 HD2 PHE 10 5.281 5.926 -4.045 81 HE1 PHE 10 HE1 PHE 10 5.460 1.289 -2.439 82 HE2 PHE 10 HE2 PHE 10 3.880 4.208 -5.105 83 HZ PHE 10 HZ PHE 10 3.970 1.885 -4.304 84 H SER 11 HN SER 11 5.518 8.487 -2.356 85 HA SER 11 HA SER 11 2.725 7.592 -2.273 86 1HB SER 11 HB2 SER 11 1.918 9.656 -1.455 87 2HB SER 11 HB1 SER 11 3.321 9.333 -0.464 88 HG SER 11 HG SER 11 3.914 10.735 -2.736 89 H ALA 12 HN ALA 12 2.015 7.446 -4.298 90 HA ALA 12 HA ALA 12 2.974 9.424 -6.252 91 1HB ALA 12 HB1 ALA 12 4.321 7.396 -6.498 92 2HB ALA 12 HB2 ALA 12 3.311 7.686 -7.915 93 3HB ALA 12 HB3 ALA 12 2.850 6.453 -6.740 94 H ASN 13 HN ASN 13 1.376 10.333 -7.336 95 HA ASN 13 HA ASN 13 -1.268 9.124 -7.386 96 1HB ASN 13 HB2 ASN 13 -1.173 11.529 -7.023 97 2HB ASN 13 HB1 ASN 13 -0.217 11.748 -8.483 98 1HD2 ASN 13 HD21 ASN 13 -3.351 11.487 -7.164 99 2HD2 ASN 13 HD22 ASN 13 -4.233 11.619 -8.650 100 H LEU 14 HN LEU 14 -1.236 7.388 -8.767 101 HA LEU 14 HA LEU 14 -0.093 7.803 -11.418 102 1HB LEU 14 HB2 LEU 14 -0.816 5.333 -11.715 103 2HB LEU 14 HB1 LEU 14 0.596 5.718 -10.754 104 HG LEU 14 HG LEU 14 -1.988 5.428 -9.309 105 1HD1 LEU 14 HD11 LEU 14 -2.038 3.546 -10.870 106 2HD1 LEU 14 HD12 LEU 14 -1.727 2.996 -9.223 107 3HD1 LEU 14 HD13 LEU 14 -0.404 3.095 -10.386 108 1HD2 LEU 14 HD21 LEU 14 0.850 4.558 -8.748 109 2HD2 LEU 14 HD22 LEU 14 -0.513 4.427 -7.634 110 3HD2 LEU 14 HD23 LEU 14 0.073 6.015 -8.128 111 H ASN 15 HN ASN 15 -1.583 9.314 -12.086 112 HA ASN 15 HA ASN 15 -3.173 9.907 -13.570 113 1HB ASN 15 HB2 ASN 15 -2.939 7.793 -14.700 114 2HB ASN 15 HB1 ASN 15 -3.944 6.995 -13.495 115 1HD2 ASN 15 HD21 ASN 15 -6.135 7.115 -13.644 116 2HD2 ASN 15 HD22 ASN 15 -6.963 7.855 -14.983 117 H GLY 16 HN GLY 16 -4.552 7.631 -11.271 118 1HA GLY 16 HA2 GLY 16 -6.525 9.685 -10.532 119 2HA GLY 16 HA1 GLY 16 -7.103 8.112 -11.056 120 H THR 17 HN THR 17 -5.001 6.604 -9.777 121 HA THR 17 HA THR 17 -6.002 6.754 -7.041 122 HB THR 17 HB THR 17 -4.622 4.536 -6.909 123 HG1 THR 17 HG1 THR 17 -3.600 4.770 -8.942 124 1HG2 THR 17 HG21 THR 17 -6.553 3.283 -7.777 125 2HG2 THR 17 HG22 THR 17 -7.159 4.756 -8.534 126 3HG2 THR 17 HG23 THR 17 -7.054 4.647 -6.777 127 H GLU 18 HN GLU 18 -4.837 7.663 -5.477 128 HA GLU 18 HA GLU 18 -1.976 8.110 -5.914 129 1HB GLU 18 HB2 GLU 18 -3.342 9.116 -3.469 130 2HB GLU 18 HB1 GLU 18 -2.103 9.880 -4.456 131 1HG GLU 18 HG2 GLU 18 -3.983 10.069 -6.225 132 2HG GLU 18 HG1 GLU 18 -5.058 9.809 -4.853 133 H ILE 19 HN ILE 19 -0.969 6.222 -5.428 134 HA ILE 19 HA ILE 19 -1.832 4.748 -3.062 135 HB ILE 19 HB ILE 19 0.147 3.962 -5.208 136 1HG1 ILE 19 HG12 ILE 19 -2.713 3.108 -4.691 137 2HG1 ILE 19 HG11 ILE 19 -2.159 4.108 -6.029 138 1HG2 ILE 19 HG21 ILE 19 0.011 1.718 -4.222 139 2HG2 ILE 19 HG22 ILE 19 -1.007 2.353 -2.929 140 3HG2 ILE 19 HG23 ILE 19 0.664 2.893 -3.081 141 1HD1 ILE 19 HD11 ILE 19 -0.869 2.231 -6.898 142 2HD1 ILE 19 HD12 ILE 19 -2.578 1.827 -6.737 143 3HD1 ILE 19 HD13 ILE 19 -1.417 1.232 -5.551 144 H ALA 20 HN ALA 20 -0.880 4.992 -1.212 145 HA ALA 20 HA ALA 20 1.911 5.931 -1.131 146 1HB ALA 20 HB1 ALA 20 -0.159 6.319 1.023 147 2HB ALA 20 HB2 ALA 20 0.178 7.508 -0.229 148 3HB ALA 20 HB3 ALA 20 1.440 7.058 0.917 149 H ILE 21 HN ILE 21 3.092 4.124 -0.843 150 HA ILE 21 HA ILE 21 2.126 2.148 1.098 151 HB ILE 21 HB ILE 21 4.285 1.901 -0.997 152 1HG1 ILE 21 HG12 ILE 21 1.542 0.644 -0.741 153 2HG1 ILE 21 HG11 ILE 21 2.016 1.869 -1.912 154 1HG2 ILE 21 HG21 ILE 21 4.881 0.620 0.976 155 2HG2 ILE 21 HG22 ILE 21 4.410 -0.457 -0.339 156 3HG2 ILE 21 HG23 ILE 21 3.289 -0.140 0.985 157 1HD1 ILE 21 HD11 ILE 21 3.559 0.291 -2.944 158 2HD1 ILE 21 HD12 ILE 21 1.910 -0.337 -2.920 159 3HD1 ILE 21 HD13 ILE 21 3.098 -0.934 -1.762 160 H THR 22 HN THR 22 2.993 2.020 3.004 161 HA THR 22 HA THR 22 5.441 3.528 3.586 162 HB THR 22 HB THR 22 3.395 2.615 5.605 163 HG1 THR 22 HG1 THR 22 2.265 3.888 4.133 164 1HG2 THR 22 HG21 THR 22 4.276 4.497 6.905 165 2HG2 THR 22 HG22 THR 22 5.386 4.888 5.591 166 3HG2 THR 22 HG23 THR 22 5.559 3.367 6.469 167 H TYR 23 HN TYR 23 7.106 2.114 3.511 168 HA TYR 23 HA TYR 23 6.785 -0.623 4.383 169 1HB TYR 23 HB2 TYR 23 9.347 0.803 3.654 170 2HB TYR 23 HB1 TYR 23 9.087 -0.933 3.735 171 HD1 TYR 23 HD1 TYR 23 9.194 1.884 1.644 172 HD2 TYR 23 HD2 TYR 23 7.298 -1.889 2.080 173 HE1 TYR 23 HE1 TYR 23 8.680 1.890 -0.746 174 HE2 TYR 23 HE2 TYR 23 6.767 -1.900 -0.322 175 HH TYR 23 HH TYR 23 6.630 -0.556 -2.185 176 H VAL 24 HN VAL 24 6.515 -0.774 6.588 177 HA VAL 24 HA VAL 24 8.602 0.396 8.261 178 HB VAL 24 HB VAL 24 6.178 -1.269 8.984 179 1HG1 VAL 24 HG11 VAL 24 8.306 -0.148 10.813 180 2HG1 VAL 24 HG12 VAL 24 8.028 -1.856 10.475 181 3HG1 VAL 24 HG13 VAL 24 6.805 -0.915 11.331 182 1HG2 VAL 24 HG21 VAL 24 5.465 0.773 10.127 183 2HG2 VAL 24 HG22 VAL 24 5.735 1.067 8.408 184 3HG2 VAL 24 HG23 VAL 24 6.937 1.586 9.592 185 H TYR 25 HN TYR 25 10.461 -0.596 7.916 186 HA TYR 25 HA TYR 25 10.463 -3.530 7.919 187 1HB TYR 25 HB2 TYR 25 12.174 -3.539 6.183 188 2HB TYR 25 HB1 TYR 25 10.719 -2.739 5.617 189 HD1 TYR 25 HD1 TYR 25 14.249 -2.496 6.034 190 HD2 TYR 25 HD2 TYR 25 10.715 -0.167 5.607 191 HE1 TYR 25 HE1 TYR 25 15.607 -0.582 5.303 192 HE2 TYR 25 HE2 TYR 25 12.063 1.755 4.879 193 HH TYR 25 HH TYR 25 14.501 2.528 5.217 194 H LYS 26 HN LYS 26 12.553 -4.475 8.390 195 HA LYS 26 HA LYS 26 14.374 -2.751 9.893 196 1HB LYS 26 HB2 LYS 26 12.539 -4.000 11.343 197 2HB LYS 26 HB1 LYS 26 13.617 -5.372 11.120 198 1HG LYS 26 HG2 LYS 26 15.460 -4.060 12.072 199 2HG LYS 26 HG1 LYS 26 14.343 -2.714 12.329 200 1HD LYS 26 HD2 LYS 26 14.078 -5.461 13.552 201 2HD LYS 26 HD1 LYS 26 14.707 -4.033 14.375 202 1HE LYS 26 HE2 LYS 26 12.470 -2.937 13.756 203 2HE LYS 26 HE1 LYS 26 11.913 -4.576 13.421 204 1HZ LYS 26 HZ1 LYS 26 13.034 -3.643 16.010 205 2HZ LYS 26 HZ2 LYS 26 12.437 -5.196 15.688 206 3HZ LYS 26 HZ3 LYS 26 11.384 -3.866 15.683 207 H GLY 27 HN GLY 27 16.349 -3.141 9.131 208 1HA GLY 27 HA2 GLY 27 18.146 -4.349 8.273 209 2HA GLY 27 HA1 GLY 27 17.167 -5.812 8.361 210 H ASP 28 HN ASP 28 16.640 -6.652 6.451 211 HA ASP 28 HA ASP 28 16.294 -4.787 4.187 212 1HB ASP 28 HB2 ASP 28 18.183 -6.340 3.874 213 2HB ASP 28 HB1 ASP 28 17.090 -7.705 4.080 214 H LYS 29 HN LYS 29 14.683 -6.900 6.271 215 HA LYS 29 HA LYS 29 12.651 -7.559 4.280 216 1HB LYS 29 HB2 LYS 29 13.575 -9.011 6.426 217 2HB LYS 29 HB1 LYS 29 12.077 -8.333 7.043 218 1HG LYS 29 HG2 LYS 29 11.241 -9.156 4.624 219 2HG LYS 29 HG1 LYS 29 12.506 -10.343 4.936 220 1HD LYS 29 HD2 LYS 29 10.217 -9.708 6.794 221 2HD LYS 29 HD1 LYS 29 10.283 -11.086 5.697 222 1HE LYS 29 HE2 LYS 29 12.317 -11.866 6.863 223 2HE LYS 29 HE1 LYS 29 12.144 -10.530 8.002 224 1HZ LYS 29 HZ1 LYS 29 10.077 -11.414 8.766 225 2HZ LYS 29 HZ2 LYS 29 11.209 -12.678 8.785 226 3HZ LYS 29 HZ3 LYS 29 10.061 -12.592 7.546 227 H VAL 30 HN VAL 30 10.998 -6.243 3.966 228 HA VAL 30 HA VAL 30 10.143 -4.327 5.917 229 HB VAL 30 HB VAL 30 8.524 -5.326 3.566 230 1HG1 VAL 30 HG11 VAL 30 7.532 -3.066 3.698 231 2HG1 VAL 30 HG12 VAL 30 8.502 -2.758 5.142 232 3HG1 VAL 30 HG13 VAL 30 7.271 -4.020 5.158 233 1HG2 VAL 30 HG21 VAL 30 10.713 -4.634 2.747 234 2HG2 VAL 30 HG22 VAL 30 10.565 -3.102 3.608 235 3HG2 VAL 30 HG23 VAL 30 9.476 -3.470 2.271 236 H LEU 31 HN LEU 31 8.779 -4.701 7.591 237 HA LEU 31 HA LEU 31 7.845 -7.470 7.818 238 1HB LEU 31 HB2 LEU 31 8.313 -5.403 9.967 239 2HB LEU 31 HB1 LEU 31 7.835 -7.071 10.242 240 HG LEU 31 HG LEU 31 10.431 -6.174 8.983 241 1HD1 LEU 31 HD11 LEU 31 9.876 -7.372 11.689 242 2HD1 LEU 31 HD12 LEU 31 10.399 -5.718 11.363 243 3HD1 LEU 31 HD13 LEU 31 11.473 -7.072 11.000 244 1HD2 LEU 31 HD21 LEU 31 9.670 -8.286 8.064 245 2HD2 LEU 31 HD22 LEU 31 9.442 -8.929 9.690 246 3HD2 LEU 31 HD23 LEU 31 11.063 -8.531 9.117 247 H LYS 32 HN LYS 32 6.751 -4.137 8.139 248 HA LYS 32 HA LYS 32 4.029 -5.147 7.736 249 1HB LYS 32 HB2 LYS 32 4.888 -3.109 9.786 250 2HB LYS 32 HB1 LYS 32 3.233 -3.200 9.197 251 1HG LYS 32 HG2 LYS 32 3.078 -5.509 9.989 252 2HG LYS 32 HG1 LYS 32 4.737 -5.415 10.583 253 1HD LYS 32 HD2 LYS 32 4.101 -3.638 12.122 254 2HD LYS 32 HD1 LYS 32 2.450 -3.673 11.502 255 1HE LYS 32 HE2 LYS 32 3.823 -6.016 12.810 256 2HE LYS 32 HE1 LYS 32 2.769 -4.887 13.659 257 1HZ LYS 32 HZ1 LYS 32 1.583 -6.876 13.003 258 2HZ LYS 32 HZ2 LYS 32 1.976 -6.627 11.379 259 3HZ LYS 32 HZ3 LYS 32 0.958 -5.531 12.186 260 H GLN 33 HN GLN 33 3.274 -4.377 5.921 261 HA GLN 33 HA GLN 33 4.400 -1.861 4.889 262 1HB GLN 33 HB2 GLN 33 4.993 -3.740 3.501 263 2HB GLN 33 HB1 GLN 33 3.323 -4.285 3.444 264 1HG GLN 33 HG2 GLN 33 2.699 -2.337 2.158 265 2HG GLN 33 HG1 GLN 33 4.340 -1.706 2.277 266 1HE2 GLN 33 HE21 GLN 33 2.675 -2.447 -0.048 267 2HE2 GLN 33 HE22 GLN 33 3.632 -3.577 -0.944 268 H SER 34 HN SER 34 3.041 -0.234 5.192 269 HA SER 34 HA SER 34 0.161 -0.686 5.105 270 1HB SER 34 HB2 SER 34 1.097 0.700 6.930 271 2HB SER 34 HB1 SER 34 1.722 1.836 5.737 272 HG SER 34 HG SER 34 -0.215 2.657 5.484 273 H SER 35 HN SER 35 -0.335 -0.983 2.978 274 HA SER 35 HA SER 35 0.589 0.980 1.012 275 1HB SER 35 HB2 SER 35 -0.999 -1.551 0.517 276 2HB SER 35 HB1 SER 35 -0.088 -0.606 -0.663 277 HG SER 35 HG SER 35 0.901 -2.210 1.449 278 H GLU 36 HN GLU 36 -0.685 2.744 1.051 279 HA GLU 36 HA GLU 36 -3.557 2.349 1.549 280 1HB GLU 36 HB2 GLU 36 -1.800 4.745 1.981 281 2HB GLU 36 HB1 GLU 36 -3.506 4.671 2.376 282 1HG GLU 36 HG2 GLU 36 -3.144 3.206 4.139 283 2HG GLU 36 HG1 GLU 36 -1.555 2.731 3.544 284 H THR 37 HN THR 37 -4.614 2.314 -0.338 285 HA THR 37 HA THR 37 -3.799 4.027 -2.539 286 HB THR 37 HB THR 37 -6.231 2.237 -2.412 287 HG1 THR 37 HG1 THR 37 -4.947 0.574 -2.594 288 1HG2 THR 37 HG21 THR 37 -6.189 3.845 -4.256 289 2HG2 THR 37 HG22 THR 37 -5.989 2.196 -4.848 290 3HG2 THR 37 HG23 THR 37 -4.592 3.266 -4.730 291 H LYS 38 HN LYS 38 -4.359 6.115 -2.357 292 HA LYS 38 HA LYS 38 -6.760 6.896 -0.953 293 1HB LYS 38 HB2 LYS 38 -4.705 8.214 -0.714 294 2HB LYS 38 HB1 LYS 38 -4.716 8.557 -2.436 295 1HG LYS 38 HG2 LYS 38 -6.606 9.949 -2.253 296 2HG LYS 38 HG1 LYS 38 -6.963 9.376 -0.621 297 1HD LYS 38 HD2 LYS 38 -5.031 10.456 0.255 298 2HD LYS 38 HD1 LYS 38 -4.444 10.852 -1.355 299 1HE LYS 38 HE2 LYS 38 -7.026 11.905 -0.216 300 2HE LYS 38 HE1 LYS 38 -5.486 12.751 -0.072 301 1HZ LYS 38 HZ1 LYS 38 -7.120 12.272 -2.469 302 2HZ LYS 38 HZ2 LYS 38 -5.444 12.444 -2.637 303 3HZ LYS 38 HZ3 LYS 38 -6.360 13.697 -1.950 304 H ILE 39 HN ILE 39 -8.484 6.210 -2.069 305 HA ILE 39 HA ILE 39 -8.685 6.696 -4.931 306 HB ILE 39 HB ILE 39 -10.645 5.347 -3.061 307 1HG1 ILE 39 HG12 ILE 39 -8.631 4.111 -4.958 308 2HG1 ILE 39 HG11 ILE 39 -8.447 4.188 -3.208 309 1HG2 ILE 39 HG21 ILE 39 -11.630 4.439 -5.119 310 2HG2 ILE 39 HG22 ILE 39 -10.493 5.390 -6.075 311 3HG2 ILE 39 HG23 ILE 39 -11.702 6.201 -5.081 312 1HD1 ILE 39 HD11 ILE 39 -10.422 2.792 -2.937 313 2HD1 ILE 39 HD12 ILE 39 -9.204 1.999 -3.934 314 3HD1 ILE 39 HD13 ILE 39 -10.623 2.728 -4.687 315 H GLN 40 HN GLN 40 -9.517 8.534 -5.658 316 HA GLN 40 HA GLN 40 -11.195 10.161 -3.930 317 1HB GLN 40 HB2 GLN 40 -10.336 10.731 -6.773 318 2HB GLN 40 HB1 GLN 40 -10.959 11.882 -5.600 319 1HG GLN 40 HG2 GLN 40 -8.305 10.463 -5.501 320 2HG GLN 40 HG1 GLN 40 -8.584 12.168 -5.844 321 1HE2 GLN 40 HE21 GLN 40 -8.383 9.731 -3.401 322 2HE2 GLN 40 HE22 GLN 40 -8.488 10.783 -2.038 323 H PHE 41 HN PHE 41 -13.319 10.900 -4.654 324 HA PHE 41 HA PHE 41 -14.914 8.759 -5.524 325 1HB PHE 41 HB2 PHE 41 -15.420 11.663 -5.041 326 2HB PHE 41 HB1 PHE 41 -16.656 10.704 -5.848 327 HD1 PHE 41 HD1 PHE 41 -18.227 11.052 -4.036 328 HD2 PHE 41 HD2 PHE 41 -14.472 9.168 -3.353 329 HE1 PHE 41 HE1 PHE 41 -19.037 10.227 -1.866 330 HE2 PHE 41 HE2 PHE 41 -15.276 8.344 -1.179 331 HZ PHE 41 HZ PHE 41 -17.561 8.873 -0.434 332 H ALA 42 HN ALA 42 -13.433 11.380 -7.296 333 HA ALA 42 HA ALA 42 -14.899 10.911 -9.711 334 1HB ALA 42 HB1 ALA 42 -13.916 13.096 -9.209 335 2HB ALA 42 HB2 ALA 42 -13.320 12.453 -10.739 336 3HB ALA 42 HB3 ALA 42 -12.303 12.389 -9.300 337 H SER 43 HN SER 43 -12.219 9.431 -8.189 338 HA SER 43 HA SER 43 -11.069 8.343 -10.604 339 1HB SER 43 HB2 SER 43 -10.519 7.495 -7.753 340 2HB SER 43 HB1 SER 43 -9.480 7.275 -9.161 341 HG SER 43 HG SER 43 -8.622 9.083 -8.500 342 H ILE 44 HN ILE 44 -13.182 7.284 -7.998 343 HA ILE 44 HA ILE 44 -13.310 4.585 -9.050 344 HB ILE 44 HB ILE 44 -13.296 4.773 -6.657 345 1HG1 ILE 44 HG12 ILE 44 -16.079 4.029 -7.583 346 2HG1 ILE 44 HG11 ILE 44 -14.674 2.968 -7.615 347 1HG2 ILE 44 HG21 ILE 44 -15.064 5.912 -5.402 348 2HG2 ILE 44 HG22 ILE 44 -15.765 6.481 -6.917 349 3HG2 ILE 44 HG23 ILE 44 -14.161 7.028 -6.429 350 1HD1 ILE 44 HD11 ILE 44 -16.104 2.461 -5.729 351 2HD1 ILE 44 HD12 ILE 44 -15.970 4.124 -5.157 352 3HD1 ILE 44 HD13 ILE 44 -14.548 3.080 -5.173 353 H GLY 45 HN GLY 45 -15.245 7.505 -9.056 354 1HA GLY 45 HA2 GLY 45 -16.958 7.986 -10.591 355 2HA GLY 45 HA1 GLY 45 -17.046 6.276 -10.996 356 H ALA 46 HN ALA 46 -17.095 7.586 -7.751 357 HA ALA 46 HA ALA 46 -19.771 6.421 -7.398 358 1HB ALA 46 HB1 ALA 46 -18.016 5.497 -5.963 359 2HB ALA 46 HB2 ALA 46 -19.246 6.334 -5.016 360 3HB ALA 46 HB3 ALA 46 -17.691 7.107 -5.322 361 H THR 47 HN THR 47 -21.423 7.607 -6.457 362 HA THR 47 HA THR 47 -21.198 10.476 -6.738 363 HB THR 47 HB THR 47 -23.640 9.150 -5.626 364 HG1 THR 47 HG1 THR 47 -23.804 7.915 -7.329 365 1HG2 THR 47 HG21 THR 47 -23.602 11.578 -5.939 366 2HG2 THR 47 HG22 THR 47 -24.762 10.822 -7.032 367 3HG2 THR 47 HG23 THR 47 -23.197 11.359 -7.641 368 H THR 48 HN THR 48 -22.053 8.177 -4.175 369 HA THR 48 HA THR 48 -21.218 10.173 -2.175 370 HB THR 48 HB THR 48 -22.964 9.183 -0.660 371 HG1 THR 48 HG1 THR 48 -23.471 7.730 -3.014 372 1HG2 THR 48 HG21 THR 48 -23.984 10.479 -3.192 373 2HG2 THR 48 HG22 THR 48 -23.355 11.321 -1.775 374 3HG2 THR 48 HG23 THR 48 -24.852 10.395 -1.659 375 H LYS 49 HN LYS 49 -20.939 8.971 0.042 376 HA LYS 49 HA LYS 49 -18.896 7.046 -0.271 377 1HB LYS 49 HB2 LYS 49 -19.056 6.785 2.204 378 2HB LYS 49 HB1 LYS 49 -18.890 8.452 1.674 379 1HG LYS 49 HG2 LYS 49 -21.250 8.835 2.023 380 2HG LYS 49 HG1 LYS 49 -21.484 7.141 2.457 381 1HD LYS 49 HD2 LYS 49 -20.105 7.403 4.415 382 2HD LYS 49 HD1 LYS 49 -19.688 9.053 3.947 383 1HE LYS 49 HE2 LYS 49 -21.392 9.040 5.691 384 2HE LYS 49 HE1 LYS 49 -22.020 9.722 4.193 385 1HZ LYS 49 HZ1 LYS 49 -22.524 6.991 5.251 386 2HZ LYS 49 HZ2 LYS 49 -23.025 7.531 3.722 387 3HZ LYS 49 HZ3 LYS 49 -23.643 8.262 5.121 388 H GLU 50 HN GLU 50 -22.318 6.744 -0.089 389 HA GLU 50 HA GLU 50 -22.520 4.052 0.742 390 1HB GLU 50 HB2 GLU 50 -24.379 5.813 0.454 391 2HB GLU 50 HB1 GLU 50 -24.353 5.392 -1.250 392 1HG GLU 50 HG2 GLU 50 -24.818 3.365 0.917 393 2HG GLU 50 HG1 GLU 50 -26.121 4.290 0.178 394 H ASP 51 HN ASP 51 -22.402 5.536 -2.479 395 HA ASP 51 HA ASP 51 -22.362 3.184 -4.001 396 1HB ASP 51 HB2 ASP 51 -20.966 5.777 -4.705 397 2HB ASP 51 HB1 ASP 51 -21.518 4.537 -5.823 398 H ALA 52 HN ALA 52 -19.777 5.079 -2.549 399 HA ALA 52 HA ALA 52 -17.616 3.713 -3.739 400 1HB ALA 52 HB1 ALA 52 -17.407 5.933 -2.724 401 2HB ALA 52 HB2 ALA 52 -16.236 4.797 -2.056 402 3HB ALA 52 HB3 ALA 52 -17.675 5.226 -1.130 403 H ALA 53 HN ALA 53 -19.069 3.381 -0.492 404 HA ALA 53 HA ALA 53 -17.351 1.339 0.383 405 1HB ALA 53 HB1 ALA 53 -18.733 2.682 1.900 406 2HB ALA 53 HB2 ALA 53 -18.952 0.951 2.158 407 3HB ALA 53 HB3 ALA 53 -20.176 1.876 1.286 408 H LYS 54 HN LYS 54 -20.534 1.199 -1.154 409 HA LYS 54 HA LYS 54 -20.899 -1.578 -0.987 410 1HB LYS 54 HB2 LYS 54 -22.679 0.048 -1.495 411 2HB LYS 54 HB1 LYS 54 -21.942 0.363 -3.056 412 1HG LYS 54 HG2 LYS 54 -22.539 -1.738 -3.892 413 2HG LYS 54 HG1 LYS 54 -22.867 -2.381 -2.280 414 1HD LYS 54 HD2 LYS 54 -24.934 -1.890 -3.530 415 2HD LYS 54 HD1 LYS 54 -24.794 -0.929 -2.057 416 1HE LYS 54 HE2 LYS 54 -23.763 0.868 -3.583 417 2HE LYS 54 HE1 LYS 54 -24.448 -0.069 -4.911 418 1HZ LYS 54 HZ1 LYS 54 -26.001 1.605 -4.306 419 2HZ LYS 54 HZ2 LYS 54 -25.907 1.203 -2.665 420 3HZ LYS 54 HZ3 LYS 54 -26.635 0.126 -3.759 421 H THR 55 HN THR 55 -18.780 0.261 -2.927 422 HA THR 55 HA THR 55 -18.446 -1.872 -4.893 423 HB THR 55 HB THR 55 -17.045 0.805 -4.731 424 HG1 THR 55 HG1 THR 55 -19.123 1.325 -5.163 425 1HG2 THR 55 HG21 THR 55 -15.839 -0.872 -6.057 426 2HG2 THR 55 HG22 THR 55 -16.493 0.407 -7.079 427 3HG2 THR 55 HG23 THR 55 -17.293 -1.163 -7.011 428 H LEU 56 HN LEU 56 -16.767 -0.355 -2.186 429 HA LEU 56 HA LEU 56 -14.294 -1.748 -2.848 430 1HB LEU 56 HB2 LEU 56 -14.882 0.271 -0.690 431 2HB LEU 56 HB1 LEU 56 -13.300 -0.388 -1.057 432 HG LEU 56 HG LEU 56 -14.969 1.323 -2.901 433 1HD1 LEU 56 HD11 LEU 56 -14.027 2.571 -1.034 434 2HD1 LEU 56 HD12 LEU 56 -13.226 2.996 -2.546 435 3HD1 LEU 56 HD13 LEU 56 -12.427 1.924 -1.397 436 1HD2 LEU 56 HD21 LEU 56 -12.197 0.193 -3.261 437 2HD2 LEU 56 HD22 LEU 56 -12.999 1.327 -4.348 438 3HD2 LEU 56 HD23 LEU 56 -13.643 -0.302 -4.141 439 H GLU 57 HN GLU 57 -16.775 -1.778 -0.341 440 HA GLU 57 HA GLU 57 -15.416 -3.052 1.695 441 1HB GLU 57 HB2 GLU 57 -18.322 -3.185 0.938 442 2HB GLU 57 HB1 GLU 57 -17.686 -3.948 2.387 443 1HG GLU 57 HG2 GLU 57 -16.752 -1.664 2.984 444 2HG GLU 57 HG1 GLU 57 -17.781 -1.031 1.704 445 HA PRO 58 HA PRO 58 -16.917 -7.387 -0.506 446 1HB PRO 58 HB2 PRO 58 -15.991 -6.218 -3.096 447 2HB PRO 58 HB1 PRO 58 -17.180 -7.489 -2.798 448 1HG PRO 58 HG2 PRO 58 -17.877 -4.935 -3.358 449 2HG PRO 58 HG1 PRO 58 -18.854 -5.999 -2.334 450 1HD PRO 58 HD2 PRO 58 -17.296 -3.636 -1.587 451 2HD PRO 58 HD1 PRO 58 -18.539 -4.503 -0.671 452 H LEU 59 HN LEU 59 -14.270 -5.203 -1.501 453 HA LEU 59 HA LEU 59 -12.440 -7.323 -2.032 454 1HB LEU 59 HB2 LEU 59 -12.113 -4.352 -1.726 455 2HB LEU 59 HB1 LEU 59 -10.730 -5.404 -1.940 456 HG LEU 59 HG LEU 59 -11.768 -6.187 -4.097 457 1HD1 LEU 59 HD11 LEU 59 -14.072 -5.541 -3.659 458 2HD1 LEU 59 HD12 LEU 59 -13.467 -4.768 -5.124 459 3HD1 LEU 59 HD13 LEU 59 -13.601 -3.842 -3.628 460 1HD2 LEU 59 HD21 LEU 59 -11.085 -4.200 -5.342 461 2HD2 LEU 59 HD22 LEU 59 -9.952 -4.569 -4.041 462 3HD2 LEU 59 HD23 LEU 59 -11.114 -3.256 -3.854 463 H SER 60 HN SER 60 -12.974 -5.171 0.710 464 HA SER 60 HA SER 60 -10.713 -5.841 2.207 465 1HB SER 60 HB2 SER 60 -13.426 -5.057 3.285 466 2HB SER 60 HB1 SER 60 -11.868 -4.849 4.085 467 HG SER 60 HG SER 60 -11.553 -3.652 1.807 468 H ALA 61 HN ALA 61 -13.551 -7.657 1.565 469 HA ALA 61 HA ALA 61 -13.578 -9.239 3.939 470 1HB ALA 61 HB1 ALA 61 -15.201 -10.619 2.771 471 2HB ALA 61 HB2 ALA 61 -14.814 -9.811 1.252 472 3HB ALA 61 HB3 ALA 61 -15.573 -8.908 2.562 473 H LYS 62 HN LYS 62 -11.635 -9.279 1.131 474 HA LYS 62 HA LYS 62 -11.110 -12.104 1.072 475 1HB LYS 62 HB2 LYS 62 -9.519 -9.829 -0.126 476 2HB LYS 62 HB1 LYS 62 -9.318 -11.531 -0.503 477 1HG LYS 62 HG2 LYS 62 -11.604 -11.569 -1.422 478 2HG LYS 62 HG1 LYS 62 -11.736 -9.838 -1.098 479 1HD LYS 62 HD2 LYS 62 -9.818 -9.419 -2.568 480 2HD LYS 62 HD1 LYS 62 -9.698 -11.147 -2.901 481 1HE LYS 62 HE2 LYS 62 -12.024 -11.053 -3.806 482 2HE LYS 62 HE1 LYS 62 -11.968 -9.300 -3.618 483 1HZ LYS 62 HZ1 LYS 62 -10.147 -10.924 -5.318 484 2HZ LYS 62 HZ2 LYS 62 -10.076 -9.239 -5.134 485 3HZ LYS 62 HZ3 LYS 62 -11.421 -9.954 -5.874 486 H TYR 63 HN TYR 63 -9.724 -9.324 2.643 487 HA TYR 63 HA TYR 63 -7.162 -10.505 3.107 488 1HB TYR 63 HB2 TYR 63 -8.453 -8.000 4.182 489 2HB TYR 63 HB1 TYR 63 -6.783 -8.464 4.500 490 HD1 TYR 63 HD1 TYR 63 -9.151 -7.328 1.928 491 HD2 TYR 63 HD2 TYR 63 -5.102 -8.264 2.813 492 HE1 TYR 63 HE1 TYR 63 -8.449 -6.247 -0.162 493 HE2 TYR 63 HE2 TYR 63 -4.379 -7.180 0.736 494 HH TYR 63 HH TYR 63 -6.462 -5.192 -1.094 495 H LYS 64 HN LYS 64 -10.149 -10.631 4.763 496 HA LYS 64 HA LYS 64 -9.026 -10.903 7.400 497 1HB LYS 64 HB2 LYS 64 -11.821 -11.208 6.320 498 2HB LYS 64 HB1 LYS 64 -11.421 -11.513 8.006 499 1HG LYS 64 HG2 LYS 64 -11.018 -8.912 6.539 500 2HG LYS 64 HG1 LYS 64 -12.301 -9.265 7.698 501 1HD LYS 64 HD2 LYS 64 -10.697 -9.539 9.472 502 2HD LYS 64 HD1 LYS 64 -9.356 -9.381 8.337 503 1HE LYS 64 HE2 LYS 64 -10.076 -7.076 7.850 504 2HE LYS 64 HE1 LYS 64 -11.365 -7.246 9.040 505 1HZ LYS 64 HZ1 LYS 64 -9.306 -6.107 9.848 506 2HZ LYS 64 HZ2 LYS 64 -8.495 -7.594 9.710 507 3HZ LYS 64 HZ3 LYS 64 -9.794 -7.432 10.782 508 H ASN 65 HN ASN 65 -8.387 -12.836 5.165 509 HA ASN 65 HA ASN 65 -8.636 -15.218 6.866 510 1HB ASN 65 HB2 ASN 65 -10.239 -15.338 4.924 511 2HB ASN 65 HB1 ASN 65 -8.853 -15.258 3.842 512 1HD2 ASN 65 HD21 ASN 65 -9.086 -17.009 6.898 513 2HD2 ASN 65 HD22 ASN 65 -8.895 -18.581 6.207 514 H ILE 66 HN ILE 66 -6.642 -12.989 5.824 515 HA ILE 66 HA ILE 66 -4.469 -14.840 5.098 516 HB ILE 66 HB ILE 66 -4.968 -12.097 3.927 517 1HG1 ILE 66 HG12 ILE 66 -5.059 -14.796 2.564 518 2HG1 ILE 66 HG11 ILE 66 -6.487 -13.950 3.149 519 1HG2 ILE 66 HG21 ILE 66 -2.592 -12.558 4.149 520 2HG2 ILE 66 HG22 ILE 66 -3.073 -12.605 2.453 521 3HG2 ILE 66 HG23 ILE 66 -2.801 -14.108 3.335 522 1HD1 ILE 66 HD11 ILE 66 -4.582 -12.932 1.056 523 2HD1 ILE 66 HD12 ILE 66 -6.040 -12.115 1.624 524 3HD1 ILE 66 HD13 ILE 66 -6.167 -13.647 0.758 525 H ALA 67 HN ALA 67 -3.598 -14.863 7.159 526 HA ALA 67 HA ALA 67 -2.348 -14.167 8.945 527 1HB ALA 67 HB1 ALA 67 -1.222 -12.306 6.851 528 2HB ALA 67 HB2 ALA 67 -0.728 -13.978 7.120 529 3HB ALA 67 HB3 ALA 67 -0.436 -12.762 8.363 530 H GLY 68 HN GLY 68 -1.202 -11.435 9.188 531 1HA GLY 68 HA2 GLY 68 -3.543 -10.080 10.282 532 2HA GLY 68 HA1 GLY 68 -1.861 -9.640 10.556 533 H VAL 69 HN VAL 69 -3.099 -10.317 7.380 534 HA VAL 69 HA VAL 69 -2.475 -7.619 6.503 535 HB VAL 69 HB VAL 69 -3.648 -9.862 4.848 536 1HG1 VAL 69 HG11 VAL 69 -1.976 -7.492 4.047 537 2HG1 VAL 69 HG12 VAL 69 -3.723 -7.617 3.859 538 3HG1 VAL 69 HG13 VAL 69 -2.657 -8.711 2.969 539 1HG2 VAL 69 HG21 VAL 69 -1.637 -10.721 5.863 540 2HG2 VAL 69 HG22 VAL 69 -0.744 -9.275 5.385 541 3HG2 VAL 69 HG23 VAL 69 -1.346 -10.386 4.155 542 H GLU 70 HN GLU 70 -3.982 -6.082 6.759 543 HA GLU 70 HA GLU 70 -6.802 -6.852 6.428 544 1HB GLU 70 HB2 GLU 70 -7.373 -5.231 8.228 545 2HB GLU 70 HB1 GLU 70 -6.436 -6.608 8.790 546 1HG GLU 70 HG2 GLU 70 -4.428 -5.260 8.844 547 2HG GLU 70 HG1 GLU 70 -5.308 -3.883 8.182 548 H GLU 71 HN GLU 71 -8.134 -5.427 5.418 549 HA GLU 71 HA GLU 71 -6.842 -3.084 4.198 550 1HB GLU 71 HB2 GLU 71 -7.725 -4.837 2.652 551 2HB GLU 71 HB1 GLU 71 -9.332 -4.544 3.297 552 1HG GLU 71 HG2 GLU 71 -9.263 -2.256 2.476 553 2HG GLU 71 HG1 GLU 71 -7.632 -2.520 1.859 554 H LYS 72 HN LYS 72 -7.266 -1.344 5.354 555 HA LYS 72 HA LYS 72 -9.815 -1.122 6.765 556 1HB LYS 72 HB2 LYS 72 -7.833 -0.873 8.148 557 2HB LYS 72 HB1 LYS 72 -7.213 0.383 7.088 558 1HG LYS 72 HG2 LYS 72 -8.126 1.353 9.100 559 2HG LYS 72 HG1 LYS 72 -9.098 1.821 7.705 560 1HD LYS 72 HD2 LYS 72 -10.739 0.095 8.270 561 2HD LYS 72 HD1 LYS 72 -9.765 -0.373 9.666 562 1HE LYS 72 HE2 LYS 72 -10.989 2.346 9.220 563 2HE LYS 72 HE1 LYS 72 -11.642 1.095 10.276 564 1HZ LYS 72 HZ1 LYS 72 -8.929 2.254 10.603 565 2HZ LYS 72 HZ2 LYS 72 -9.758 1.253 11.689 566 3HZ LYS 72 HZ3 LYS 72 -10.299 2.839 11.414 567 H LEU 73 HN LEU 73 -11.312 -0.190 5.550 568 HA LEU 73 HA LEU 73 -10.651 1.889 3.661 569 1HB LEU 73 HB2 LEU 73 -13.323 0.751 4.482 570 2HB LEU 73 HB1 LEU 73 -13.059 1.864 3.152 571 HG LEU 73 HG LEU 73 -11.998 -0.957 3.335 572 1HD1 LEU 73 HD11 LEU 73 -14.126 0.263 1.587 573 2HD1 LEU 73 HD12 LEU 73 -14.395 -0.861 2.920 574 3HD1 LEU 73 HD13 LEU 73 -13.524 -1.392 1.480 575 1HD2 LEU 73 HD21 LEU 73 -11.244 -0.605 1.040 576 2HD2 LEU 73 HD22 LEU 73 -10.450 0.509 2.155 577 3HD2 LEU 73 HD23 LEU 73 -11.765 1.081 1.127 578 H THR 74 HN THR 74 -10.633 3.983 4.107 579 HA THR 74 HA THR 74 -12.150 4.927 6.447 580 HB THR 74 HB THR 74 -10.381 6.835 6.412 581 HG1 THR 74 HG1 THR 74 -9.207 4.833 4.801 582 1HG2 THR 74 HG21 THR 74 -8.915 5.552 7.907 583 2HG2 THR 74 HG22 THR 74 -9.651 4.054 7.339 584 3HG2 THR 74 HG23 THR 74 -10.617 5.225 8.237 585 H TYR 75 HN TYR 75 -13.717 6.300 5.999 586 HA TYR 75 HA TYR 75 -13.717 7.607 3.356 587 1HB TYR 75 HB2 TYR 75 -16.028 6.590 5.024 588 2HB TYR 75 HB1 TYR 75 -16.219 7.550 3.562 589 HD1 TYR 75 HD1 TYR 75 -16.340 6.501 1.487 590 HD2 TYR 75 HD2 TYR 75 -14.764 4.338 4.795 591 HE1 TYR 75 HE1 TYR 75 -16.303 4.452 0.129 592 HE2 TYR 75 HE2 TYR 75 -14.724 2.292 3.446 593 HH TYR 75 HH TYR 75 -15.776 1.358 1.488 594 H THR 76 HN THR 76 -13.765 9.767 3.328 595 HA THR 76 HA THR 76 -14.528 11.164 5.794 596 HB THR 76 HB THR 76 -12.893 12.248 3.499 597 HG1 THR 76 HG1 THR 76 -12.158 11.124 6.016 598 1HG2 THR 76 HG21 THR 76 -12.350 14.060 5.060 599 2HG2 THR 76 HG22 THR 76 -13.417 13.343 6.268 600 3HG2 THR 76 HG23 THR 76 -14.086 13.974 4.763 601 H ASP 77 HN ASP 77 -14.390 12.305 2.470 602 HA ASP 77 HA ASP 77 -17.278 12.583 2.383 603 1HB ASP 77 HB2 ASP 77 -15.423 14.861 2.702 604 2HB ASP 77 HB1 ASP 77 -16.674 15.056 1.479 605 H THR 78 HN THR 78 -14.482 13.887 0.583 606 HA THR 78 HA THR 78 -15.854 13.100 -1.890 607 HB THR 78 HB THR 78 -13.404 14.848 -1.731 608 HG1 THR 78 HG1 THR 78 -15.112 16.590 -1.785 609 1HG2 THR 78 HG21 THR 78 -14.110 14.079 -3.952 610 2HG2 THR 78 HG22 THR 78 -14.339 15.819 -3.781 611 3HG2 THR 78 HG23 THR 78 -15.724 14.732 -3.669 612 H TYR 79 HN TYR 79 -13.690 11.752 0.125 613 HA TYR 79 HA TYR 79 -12.482 10.175 -1.985 614 1HB TYR 79 HB2 TYR 79 -10.207 10.547 -1.322 615 2HB TYR 79 HB1 TYR 79 -10.938 12.123 -1.601 616 HD1 TYR 79 HD1 TYR 79 -11.873 13.332 0.523 617 HD2 TYR 79 HD2 TYR 79 -9.036 10.162 0.639 618 HE1 TYR 79 HE1 TYR 79 -11.183 14.040 2.772 619 HE2 TYR 79 HE2 TYR 79 -8.344 10.859 2.893 620 HH TYR 79 HH TYR 79 -10.121 12.903 4.800 621 H ALA 80 HN ALA 80 -11.517 8.236 -1.236 622 HA ALA 80 HA ALA 80 -11.968 7.563 1.588 623 1HB ALA 80 HB1 ALA 80 -13.806 6.600 0.287 624 2HB ALA 80 HB2 ALA 80 -12.756 5.340 0.935 625 3HB ALA 80 HB3 ALA 80 -12.642 5.794 -0.765 626 H GLN 81 HN GLN 81 -10.232 6.603 2.512 627 HA GLN 81 HA GLN 81 -7.991 5.993 0.728 628 1HB GLN 81 HB2 GLN 81 -8.080 6.585 3.680 629 2HB GLN 81 HB1 GLN 81 -6.635 6.009 2.861 630 1HG GLN 81 HG2 GLN 81 -6.783 7.991 1.360 631 2HG GLN 81 HG1 GLN 81 -8.108 8.583 2.361 632 1HE2 GLN 81 HE21 GLN 81 -5.383 6.852 3.677 633 2HE2 GLN 81 HE22 GLN 81 -4.683 8.191 4.508 634 H GLU 82 HN GLU 82 -7.629 4.028 0.216 635 HA GLU 82 HA GLU 82 -8.639 1.787 1.746 636 1HB GLU 82 HB2 GLU 82 -8.825 1.732 -0.661 637 2HB GLU 82 HB1 GLU 82 -7.108 2.049 -0.850 638 1HG GLU 82 HG2 GLU 82 -6.714 -0.174 0.279 639 2HG GLU 82 HG1 GLU 82 -8.445 -0.467 0.083 640 H ASN 83 HN ASN 83 -7.430 1.885 3.652 641 HA ASN 83 HA ASN 83 -4.535 2.027 3.551 642 1HB ASN 83 HB2 ASN 83 -5.665 3.227 5.331 643 2HB ASN 83 HB1 ASN 83 -6.489 1.764 5.852 644 1HD2 ASN 83 HD21 ASN 83 -3.517 3.542 5.875 645 2HD2 ASN 83 HD22 ASN 83 -2.704 2.569 7.049 646 H VAL 84 HN VAL 84 -3.728 0.153 2.666 647 HA VAL 84 HA VAL 84 -4.812 -2.382 3.703 648 HB VAL 84 HB VAL 84 -2.897 -1.970 1.401 649 1HG1 VAL 84 HG11 VAL 84 -3.452 -4.291 0.825 650 2HG1 VAL 84 HG12 VAL 84 -4.422 -4.416 2.293 651 3HG1 VAL 84 HG13 VAL 84 -2.679 -4.174 2.405 652 1HG2 VAL 84 HG21 VAL 84 -4.827 -2.451 -0.032 653 2HG2 VAL 84 HG22 VAL 84 -5.072 -0.989 0.924 654 3HG2 VAL 84 HG23 VAL 84 -5.868 -2.492 1.391 655 H THR 85 HN THR 85 -3.875 -2.888 5.592 656 HA THR 85 HA THR 85 -1.004 -2.481 5.941 657 HB THR 85 HB THR 85 -2.969 -3.602 7.946 658 HG1 THR 85 HG1 THR 85 -3.131 -1.257 6.964 659 1HG2 THR 85 HG21 THR 85 -1.292 -2.844 9.580 660 2HG2 THR 85 HG22 THR 85 -0.252 -2.314 8.257 661 3HG2 THR 85 HG23 THR 85 -0.618 -4.028 8.460 662 H ILE 86 HN ILE 86 0.203 -4.027 5.033 663 HA ILE 86 HA ILE 86 -0.732 -6.807 5.105 664 HB ILE 86 HB ILE 86 1.632 -5.681 3.595 665 1HG1 ILE 86 HG12 ILE 86 -1.162 -6.254 2.578 666 2HG1 ILE 86 HG11 ILE 86 -0.510 -4.646 2.877 667 1HG2 ILE 86 HG21 ILE 86 0.128 -8.283 3.332 668 2HG2 ILE 86 HG22 ILE 86 1.750 -8.076 3.991 669 3HG2 ILE 86 HG23 ILE 86 1.442 -7.750 2.285 670 1HD1 ILE 86 HD11 ILE 86 1.180 -5.013 1.158 671 2HD1 ILE 86 HD12 ILE 86 -0.452 -5.200 0.517 672 3HD1 ILE 86 HD13 ILE 86 0.528 -6.625 0.863 673 H ASP 87 HN ASP 87 0.075 -8.162 6.578 674 HA ASP 87 HA ASP 87 2.502 -7.456 8.030 675 1HB ASP 87 HB2 ASP 87 0.394 -8.382 9.163 676 2HB ASP 87 HB1 ASP 87 0.836 -9.939 8.455 677 H MET 88 HN MET 88 4.400 -8.098 7.265 678 HA MET 88 HA MET 88 4.463 -10.199 5.248 679 1HB MET 88 HB2 MET 88 6.590 -8.273 6.181 680 2HB MET 88 HB1 MET 88 6.804 -9.454 4.898 681 1HG MET 88 HG2 MET 88 4.810 -7.199 4.878 682 2HG MET 88 HG1 MET 88 6.360 -7.208 4.040 683 1HE MET 88 HE1 MET 88 5.274 -6.654 1.721 684 2HE MET 88 HE2 MET 88 3.709 -6.534 2.526 685 3HE MET 88 HE3 MET 88 3.876 -7.505 1.063 686 H GLU 89 HN GLU 89 4.522 -10.302 8.466 687 HA GLU 89 HA GLU 89 6.778 -12.097 8.759 688 1HB GLU 89 HB2 GLU 89 4.725 -10.996 10.637 689 2HB GLU 89 HB1 GLU 89 5.635 -12.432 11.090 690 1HG GLU 89 HG2 GLU 89 6.820 -9.773 10.327 691 2HG GLU 89 HG1 GLU 89 6.661 -10.403 11.968 692 H LYS 90 HN LYS 90 3.738 -12.288 7.533 693 HA LYS 90 HA LYS 90 4.106 -15.152 7.312 694 1HB LYS 90 HB2 LYS 90 2.449 -14.794 9.214 695 2HB LYS 90 HB1 LYS 90 1.362 -14.108 8.012 696 1HG LYS 90 HG2 LYS 90 1.782 -16.290 6.701 697 2HG LYS 90 HG1 LYS 90 2.355 -16.919 8.241 698 1HD LYS 90 HD2 LYS 90 0.237 -16.673 9.245 699 2HD LYS 90 HD1 LYS 90 -0.346 -15.632 7.941 700 1HE LYS 90 HE2 LYS 90 -0.259 -17.490 6.381 701 2HE LYS 90 HE1 LYS 90 0.421 -18.534 7.625 702 1HZ LYS 90 HZ1 LYS 90 -1.942 -18.925 7.307 703 2HZ LYS 90 HZ2 LYS 90 -2.289 -17.312 7.700 704 3HZ LYS 90 HZ3 LYS 90 -1.629 -18.346 8.871 705 H VAL 91 HN VAL 91 1.826 -12.528 6.528 706 HA VAL 91 HA VAL 91 0.398 -12.243 4.771 707 HB VAL 91 HB VAL 91 2.277 -13.340 2.758 708 1HG1 VAL 91 HG11 VAL 91 0.843 -10.706 3.016 709 2HG1 VAL 91 HG12 VAL 91 0.307 -12.110 2.092 710 3HG1 VAL 91 HG13 VAL 91 1.763 -11.239 1.609 711 1HG2 VAL 91 HG21 VAL 91 3.866 -12.418 4.387 712 2HG2 VAL 91 HG22 VAL 91 3.052 -10.856 4.273 713 3HG2 VAL 91 HG23 VAL 91 3.862 -11.540 2.860 714 H ASP 92 HN ASP 92 -0.231 -13.513 2.522 715 HA ASP 92 HA ASP 92 0.481 -16.328 2.701 716 1HB ASP 92 HB2 ASP 92 -1.876 -16.122 3.600 717 2HB ASP 92 HB1 ASP 92 -2.355 -15.525 2.011 718 H PHE 93 HN PHE 93 1.833 -16.229 1.042 719 HA PHE 93 HA PHE 93 1.486 -14.365 -1.078 720 1HB PHE 93 HB2 PHE 93 3.442 -16.643 -0.771 721 2HB PHE 93 HB1 PHE 93 3.528 -15.406 -2.014 722 HD1 PHE 93 HD1 PHE 93 4.070 -13.089 -1.411 723 HD2 PHE 93 HD2 PHE 93 4.183 -16.236 1.448 724 HE1 PHE 93 HE1 PHE 93 5.448 -11.688 0.065 725 HE2 PHE 93 HE2 PHE 93 5.557 -14.839 2.935 726 HZ PHE 93 HZ PHE 93 6.192 -12.561 2.245 727 H LYS 94 HN LYS 94 0.181 -17.399 -0.546 728 HA LYS 94 HA LYS 94 0.012 -18.156 -3.340 729 1HB LYS 94 HB2 LYS 94 -1.172 -19.402 -0.850 730 2HB LYS 94 HB1 LYS 94 -1.306 -20.081 -2.469 731 1HG LYS 94 HG2 LYS 94 1.109 -20.313 -2.594 732 2HG LYS 94 HG1 LYS 94 1.276 -19.584 -0.998 733 1HD LYS 94 HD2 LYS 94 -0.230 -22.136 -1.558 734 2HD LYS 94 HD1 LYS 94 1.444 -22.068 -1.008 735 1HE LYS 94 HE2 LYS 94 0.634 -20.769 0.982 736 2HE LYS 94 HE1 LYS 94 -1.014 -21.114 0.455 737 1HZ LYS 94 HZ1 LYS 94 -0.531 -23.482 0.640 738 2HZ LYS 94 HZ2 LYS 94 -0.270 -22.697 2.120 739 3HZ LYS 94 HZ3 LYS 94 1.048 -23.140 1.152 740 H ALA 95 HN ALA 95 -2.288 -17.292 -0.735 741 HA ALA 95 HA ALA 95 -4.458 -16.893 -2.574 742 1HB ALA 95 HB1 ALA 95 -5.663 -16.006 -0.648 743 2HB ALA 95 HB2 ALA 95 -4.168 -15.974 0.287 744 3HB ALA 95 HB3 ALA 95 -4.848 -17.515 -0.235 745 H LEU 96 HN LEU 96 -1.739 -15.127 -1.752 746 HA LEU 96 HA LEU 96 -2.567 -12.457 -1.911 747 1HB LEU 96 HB2 LEU 96 -0.299 -13.408 -1.248 748 2HB LEU 96 HB1 LEU 96 0.038 -13.554 -2.961 749 HG LEU 96 HG LEU 96 -0.321 -11.067 -3.150 750 1HD1 LEU 96 HD11 LEU 96 -0.224 -11.238 -0.143 751 2HD1 LEU 96 HD12 LEU 96 -1.624 -10.766 -1.108 752 3HD1 LEU 96 HD13 LEU 96 -0.178 -9.756 -1.098 753 1HD2 LEU 96 HD21 LEU 96 1.876 -12.028 -1.321 754 2HD2 LEU 96 HD22 LEU 96 1.878 -10.518 -2.232 755 3HD2 LEU 96 HD23 LEU 96 1.904 -12.062 -3.084 756 H GLN 97 HN GLN 97 -2.448 -14.892 -4.283 757 HA GLN 97 HA GLN 97 -1.941 -13.416 -6.618 758 1HB GLN 97 HB2 GLN 97 -1.952 -15.911 -6.417 759 2HB GLN 97 HB1 GLN 97 -3.707 -15.853 -6.335 760 1HG GLN 97 HG2 GLN 97 -3.132 -16.405 -8.557 761 2HG GLN 97 HG1 GLN 97 -3.685 -14.730 -8.570 762 1HE2 GLN 97 HE21 GLN 97 -1.004 -16.872 -9.003 763 2HE2 GLN 97 HE22 GLN 97 0.083 -15.700 -9.667 764 H GLY 98 HN GLY 98 -4.730 -13.564 -4.577 765 1HA GLY 98 HA2 GLY 98 -6.448 -12.484 -6.702 766 2HA GLY 98 HA1 GLY 98 -7.002 -13.143 -5.172 767 H ILE 99 HN ILE 99 -4.422 -11.223 -4.445 768 HA ILE 99 HA ILE 99 -6.079 -8.806 -4.190 769 HB ILE 99 HB ILE 99 -5.165 -8.441 -1.907 770 1HG1 ILE 99 HG12 ILE 99 -4.288 -11.330 -2.119 771 2HG1 ILE 99 HG11 ILE 99 -3.202 -9.945 -2.133 772 1HG2 ILE 99 HG21 ILE 99 -7.411 -9.299 -2.194 773 2HG2 ILE 99 HG22 ILE 99 -6.657 -10.032 -0.778 774 3HG2 ILE 99 HG23 ILE 99 -6.794 -10.949 -2.279 775 1HD1 ILE 99 HD11 ILE 99 -3.258 -11.003 0.048 776 2HD1 ILE 99 HD12 ILE 99 -5.002 -10.751 0.140 777 3HD1 ILE 99 HD13 ILE 99 -3.909 -9.366 0.128 778 H SER 100 HN SER 100 -3.608 -9.798 -5.775 779 HA SER 100 HA SER 100 -1.546 -8.022 -4.834 780 1HB SER 100 HB2 SER 100 -0.426 -8.785 -7.037 781 2HB SER 100 HB1 SER 100 -0.657 -9.973 -5.757 782 HG SER 100 HG SER 100 -2.623 -9.627 -7.757 783 H GLY 101 HN GLY 101 -2.456 -5.986 -4.937 784 1HA GLY 101 HA2 GLY 101 -3.365 -4.945 -7.492 785 2HA GLY 101 HA1 GLY 101 -3.297 -4.069 -5.969 786 H ILE 102 HN ILE 102 -0.448 -5.735 -6.713 787 HA ILE 102 HA ILE 102 1.025 -3.297 -7.048 788 HB ILE 102 HB ILE 102 2.059 -6.108 -7.449 789 1HG1 ILE 102 HG12 ILE 102 1.894 -4.509 -4.883 790 2HG1 ILE 102 HG11 ILE 102 0.939 -5.934 -5.262 791 1HG2 ILE 102 HG21 ILE 102 4.207 -5.114 -6.798 792 2HG2 ILE 102 HG22 ILE 102 3.431 -3.536 -6.674 793 3HG2 ILE 102 HG23 ILE 102 3.538 -4.345 -8.238 794 1HD1 ILE 102 HD11 ILE 102 3.931 -5.854 -4.949 795 2HD1 ILE 102 HD12 ILE 102 2.966 -7.285 -5.316 796 3HD1 ILE 102 HD13 ILE 102 2.776 -6.466 -3.766 797 H ASN 103 HN ASN 103 0.650 -2.276 -8.959 798 HA ASN 103 HA ASN 103 0.259 -3.796 -11.384 799 1HB ASN 103 HB2 ASN 103 -1.017 -1.681 -10.772 800 2HB ASN 103 HB1 ASN 103 0.454 -0.793 -11.163 801 1HD2 ASN 103 HD21 ASN 103 -0.500 0.290 -12.874 802 2HD2 ASN 103 HD22 ASN 103 -0.908 -0.500 -14.359 803 H VAL 104 HN VAL 104 2.656 -4.467 -10.620 804 HA VAL 104 HA VAL 104 4.395 -3.171 -12.605 805 HB VAL 104 HB VAL 104 5.334 -4.312 -9.960 806 1HG1 VAL 104 HG11 VAL 104 6.962 -4.604 -11.744 807 2HG1 VAL 104 HG12 VAL 104 7.520 -3.395 -10.587 808 3HG1 VAL 104 HG13 VAL 104 6.856 -2.889 -12.141 809 1HG2 VAL 104 HG21 VAL 104 4.182 -2.194 -9.612 810 2HG2 VAL 104 HG22 VAL 104 5.179 -1.433 -10.851 811 3HG2 VAL 104 HG23 VAL 104 5.917 -2.009 -9.355 812 H SER 105 HN SER 105 4.740 -5.931 -10.464 813 HA SER 105 HA SER 105 3.944 -7.805 -12.490 814 1HB SER 105 HB2 SER 105 6.126 -9.123 -12.181 815 2HB SER 105 HB1 SER 105 6.200 -7.687 -13.203 816 HG SER 105 HG SER 105 7.714 -7.041 -11.919 817 H ALA 106 HN ALA 106 2.723 -9.242 -11.475 818 HA ALA 106 HA ALA 106 2.597 -9.295 -8.629 819 1HB ALA 106 HB1 ALA 106 0.825 -10.903 -8.899 820 2HB ALA 106 HB2 ALA 106 1.286 -11.181 -10.579 821 3HB ALA 106 HB3 ALA 106 0.633 -9.616 -10.091 822 H GLU 107 HN GLU 107 4.762 -10.724 -10.667 823 HA GLU 107 HA GLU 107 5.013 -13.282 -9.404 824 1HB GLU 107 HB2 GLU 107 6.950 -11.783 -11.170 825 2HB GLU 107 HB1 GLU 107 7.131 -13.454 -10.661 826 1HG GLU 107 HG2 GLU 107 4.873 -13.851 -11.779 827 2HG GLU 107 HG1 GLU 107 5.119 -12.275 -12.535 828 H ASP 108 HN ASP 108 6.396 -10.100 -8.945 829 HA ASP 108 HA ASP 108 8.640 -10.808 -7.410 830 1HB ASP 108 HB2 ASP 108 8.106 -8.536 -8.413 831 2HB ASP 108 HB1 ASP 108 6.987 -8.297 -7.075 832 H ALA 109 HN ALA 109 5.313 -10.109 -6.588 833 HA ALA 109 HA ALA 109 5.574 -10.348 -3.782 834 1HB ALA 109 HB1 ALA 109 3.142 -10.382 -3.756 835 2HB ALA 109 HB2 ALA 109 3.115 -10.650 -5.499 836 3HB ALA 109 HB3 ALA 109 3.738 -9.133 -4.851 837 H LYS 110 HN LYS 110 5.690 -12.680 -6.211 838 HA LYS 110 HA LYS 110 4.699 -14.809 -4.456 839 1HB LYS 110 HB2 LYS 110 5.714 -15.016 -7.298 840 2HB LYS 110 HB1 LYS 110 4.916 -16.284 -6.382 841 1HG LYS 110 HG2 LYS 110 3.683 -13.712 -7.339 842 2HG LYS 110 HG1 LYS 110 3.394 -15.328 -7.980 843 1HD LYS 110 HD2 LYS 110 2.557 -15.957 -5.683 844 2HD LYS 110 HD1 LYS 110 2.618 -14.239 -5.284 845 1HE LYS 110 HE2 LYS 110 0.977 -15.546 -7.448 846 2HE LYS 110 HE1 LYS 110 0.378 -14.814 -5.962 847 1HZ LYS 110 HZ1 LYS 110 1.793 -13.341 -8.121 848 2HZ LYS 110 HZ2 LYS 110 1.086 -12.667 -6.740 849 3HZ LYS 110 HZ3 LYS 110 0.111 -13.382 -7.926 850 H LYS 111 HN LYS 111 7.605 -13.499 -5.862 851 HA LYS 111 HA LYS 111 9.202 -15.818 -5.257 852 1HB LYS 111 HB2 LYS 111 9.963 -13.085 -6.298 853 2HB LYS 111 HB1 LYS 111 11.074 -14.442 -6.142 854 1HG LYS 111 HG2 LYS 111 9.773 -15.729 -7.731 855 2HG LYS 111 HG1 LYS 111 8.590 -14.427 -7.847 856 1HD LYS 111 HD2 LYS 111 10.311 -12.949 -8.770 857 2HD LYS 111 HD1 LYS 111 11.496 -14.252 -8.648 858 1HE LYS 111 HE2 LYS 111 10.140 -15.608 -10.183 859 2HE LYS 111 HE1 LYS 111 8.982 -14.287 -10.319 860 1HZ LYS 111 HZ1 LYS 111 10.558 -14.387 -12.180 861 2HZ LYS 111 HZ2 LYS 111 11.844 -14.113 -11.107 862 3HZ LYS 111 HZ3 LYS 111 10.656 -12.921 -11.337 863 H GLY 112 HN GLY 112 8.588 -12.685 -3.787 864 1HA GLY 112 HA2 GLY 112 8.937 -13.142 -1.241 865 2HA GLY 112 HA1 GLY 112 10.614 -13.275 -1.746 866 H ILE 113 HN ILE 113 8.186 -11.206 -0.709 867 HA ILE 113 HA ILE 113 9.153 -8.788 -1.897 868 HB ILE 113 HB ILE 113 7.287 -9.226 0.439 869 1HG1 ILE 113 HG12 ILE 113 6.402 -10.054 -1.686 870 2HG1 ILE 113 HG11 ILE 113 5.524 -8.617 -1.171 871 1HG2 ILE 113 HG21 ILE 113 7.913 -6.680 -1.051 872 2HG2 ILE 113 HG22 ILE 113 8.356 -7.051 0.616 873 3HG2 ILE 113 HG23 ILE 113 6.658 -6.874 0.174 874 1HD1 ILE 113 HD11 ILE 113 6.828 -7.272 -2.748 875 2HD1 ILE 113 HD12 ILE 113 5.944 -8.568 -3.555 876 3HD1 ILE 113 HD13 ILE 113 7.678 -8.725 -3.273 877 H THR 114 HN THR 114 11.068 -7.986 -1.385 878 HA THR 114 HA THR 114 11.756 -7.745 1.468 879 HB THR 114 HB THR 114 14.142 -7.900 0.896 880 HG1 THR 114 HG1 THR 114 13.359 -8.763 -1.701 881 1HG2 THR 114 HG21 THR 114 12.998 -9.948 1.578 882 2HG2 THR 114 HG22 THR 114 14.253 -10.299 0.390 883 3HG2 THR 114 HG23 THR 114 12.559 -10.273 -0.099 884 H MET 115 HN MET 115 13.651 -5.955 1.568 885 HA MET 115 HA MET 115 12.446 -3.574 0.560 886 1HB MET 115 HB2 MET 115 13.775 -3.755 2.707 887 2HB MET 115 HB1 MET 115 15.226 -3.814 1.711 888 1HG MET 115 HG2 MET 115 14.825 -1.569 2.532 889 2HG MET 115 HG1 MET 115 14.682 -1.633 0.775 890 1HE MET 115 HE1 MET 115 11.993 1.038 1.458 891 2HE MET 115 HE2 MET 115 13.356 0.546 0.451 892 3HE MET 115 HE3 MET 115 13.599 0.879 2.166 893 H ALA 116 HN ALA 116 15.272 -5.497 -0.317 894 HA ALA 116 HA ALA 116 16.415 -3.860 -2.240 895 1HB ALA 116 HB1 ALA 116 17.434 -5.939 -1.443 896 2HB ALA 116 HB2 ALA 116 17.368 -5.882 -3.206 897 3HB ALA 116 HB3 ALA 116 16.213 -6.869 -2.312 898 H GLN 117 HN GLN 117 13.845 -6.287 -2.666 899 HA GLN 117 HA GLN 117 13.338 -5.813 -5.386 900 1HB GLN 117 HB2 GLN 117 11.770 -6.981 -3.138 901 2HB GLN 117 HB1 GLN 117 10.906 -6.533 -4.603 902 1HG GLN 117 HG2 GLN 117 11.465 -8.802 -4.846 903 2HG GLN 117 HG1 GLN 117 12.577 -7.914 -5.881 904 1HE2 GLN 117 HE21 GLN 117 12.231 -9.974 -3.154 905 2HE2 GLN 117 HE22 GLN 117 13.924 -10.211 -2.857 906 H MET 118 HN MET 118 11.368 -4.584 -2.673 907 HA MET 118 HA MET 118 9.782 -2.884 -4.089 908 1HB MET 118 HB2 MET 118 10.849 -2.644 -1.293 909 2HB MET 118 HB1 MET 118 9.683 -1.500 -1.949 910 1HG MET 118 HG2 MET 118 9.277 -4.476 -1.755 911 2HG MET 118 HG1 MET 118 8.624 -3.279 -0.637 912 1HE MET 118 HE1 MET 118 6.186 -4.391 -1.107 913 2HE MET 118 HE2 MET 118 6.918 -5.502 -2.266 914 3HE MET 118 HE3 MET 118 5.505 -4.553 -2.727 915 H GLU 119 HN GLU 119 13.042 -2.106 -2.882 916 HA GLU 119 HA GLU 119 13.100 0.593 -3.583 917 1HB GLU 119 HB2 GLU 119 15.260 -1.496 -3.452 918 2HB GLU 119 HB1 GLU 119 15.617 0.168 -3.894 919 1HG GLU 119 HG2 GLU 119 14.202 -0.551 -1.346 920 2HG GLU 119 HG1 GLU 119 15.960 -0.488 -1.473 921 H LEU 120 HN LEU 120 14.537 -2.052 -5.514 922 HA LEU 120 HA LEU 120 14.976 -0.431 -7.790 923 1HB LEU 120 HB2 LEU 120 14.947 -3.390 -7.313 924 2HB LEU 120 HB1 LEU 120 15.099 -2.768 -8.942 925 HG LEU 120 HG LEU 120 17.148 -1.534 -8.224 926 1HD1 LEU 120 HD11 LEU 120 16.826 -3.143 -5.695 927 2HD1 LEU 120 HD12 LEU 120 16.690 -1.390 -5.834 928 3HD1 LEU 120 HD13 LEU 120 18.237 -2.182 -6.138 929 1HD2 LEU 120 HD21 LEU 120 18.577 -3.515 -8.181 930 2HD2 LEU 120 HD22 LEU 120 17.281 -3.679 -9.368 931 3HD2 LEU 120 HD23 LEU 120 17.174 -4.521 -7.821 932 H VAL 121 HN VAL 121 12.334 -2.413 -6.778 933 HA VAL 121 HA VAL 121 11.042 -2.674 -9.287 934 HB VAL 121 HB VAL 121 10.257 -3.238 -6.438 935 1HG1 VAL 121 HG11 VAL 121 8.234 -4.303 -7.214 936 2HG1 VAL 121 HG12 VAL 121 8.539 -3.729 -8.854 937 3HG1 VAL 121 HG13 VAL 121 8.207 -2.574 -7.561 938 1HG2 VAL 121 HG21 VAL 121 10.284 -5.558 -7.218 939 2HG2 VAL 121 HG22 VAL 121 11.834 -4.758 -7.484 940 3HG2 VAL 121 HG23 VAL 121 10.725 -5.004 -8.834 941 H MET 122 HN MET 122 10.493 -0.564 -6.461 942 HA MET 122 HA MET 122 8.286 0.771 -7.711 943 1HB MET 122 HB2 MET 122 9.738 0.987 -5.152 944 2HB MET 122 HB1 MET 122 8.993 2.471 -5.732 945 1HG MET 122 HG2 MET 122 7.586 1.087 -4.196 946 2HG MET 122 HG1 MET 122 6.842 1.503 -5.738 947 1HE MET 122 HE1 MET 122 4.987 -0.335 -5.479 948 2HE MET 122 HE2 MET 122 5.639 -0.750 -3.894 949 3HE MET 122 HE3 MET 122 5.317 -2.020 -5.075 950 H LYS 123 HN LYS 123 11.738 1.340 -7.495 951 HA LYS 123 HA LYS 123 11.614 3.951 -8.660 952 1HB LYS 123 HB2 LYS 123 13.892 1.981 -8.403 953 2HB LYS 123 HB1 LYS 123 14.071 3.609 -9.046 954 1HG LYS 123 HG2 LYS 123 13.438 4.577 -6.947 955 2HG LYS 123 HG1 LYS 123 13.027 2.993 -6.290 956 1HD LYS 123 HD2 LYS 123 15.411 2.327 -6.581 957 2HD LYS 123 HD1 LYS 123 15.767 3.988 -7.063 958 1HE LYS 123 HE2 LYS 123 14.516 3.219 -4.430 959 2HE LYS 123 HE1 LYS 123 16.244 3.478 -4.663 960 1HZ LYS 123 HZ1 LYS 123 14.920 5.419 -3.777 961 2HZ LYS 123 HZ2 LYS 123 14.236 5.557 -5.323 962 3HZ LYS 123 HZ3 LYS 123 15.907 5.739 -5.119 963 H ALA 124 HN ALA 124 11.453 0.738 -9.865 964 HA ALA 124 HA ALA 124 12.016 1.408 -12.603 965 1HB ALA 124 HB1 ALA 124 10.562 -0.998 -11.505 966 2HB ALA 124 HB2 ALA 124 12.309 -0.882 -11.716 967 3HB ALA 124 HB3 ALA 124 11.245 -0.827 -13.122 968 H ALA 125 HN ALA 125 9.191 1.194 -10.540 969 HA ALA 125 HA ALA 125 7.308 1.637 -12.659 970 1HB ALA 125 HB1 ALA 125 6.957 1.910 -9.675 971 2HB ALA 125 HB2 ALA 125 6.664 0.449 -10.622 972 3HB ALA 125 HB3 ALA 125 5.662 1.881 -10.872 973 H GLY 126 HN GLY 126 9.368 3.606 -10.783 974 1HA GLY 126 HA2 GLY 126 9.854 5.845 -11.252 975 2HA GLY 126 HA1 GLY 126 8.350 5.961 -12.154 976 H PHE 127 HN PHE 127 8.753 4.787 -8.853 977 HA PHE 127 HA PHE 127 6.968 6.941 -7.956 978 1HB PHE 127 HB2 PHE 127 7.738 4.353 -6.585 979 2HB PHE 127 HB1 PHE 127 6.594 5.536 -5.963 980 HD1 PHE 127 HD1 PHE 127 5.283 6.138 -8.676 981 HD2 PHE 127 HD2 PHE 127 6.249 2.510 -6.675 982 HE1 PHE 127 HE1 PHE 127 3.446 5.003 -9.856 983 HE2 PHE 127 HE2 PHE 127 4.416 1.368 -7.853 984 HZ PHE 127 HZ PHE 127 3.012 2.614 -9.446 985 H LYS 128 HN LYS 128 7.446 7.931 -5.820 986 HA LYS 128 HA LYS 128 10.344 8.067 -5.330 987 1HB LYS 128 HB2 LYS 128 9.701 10.075 -6.531 988 2HB LYS 128 HB1 LYS 128 8.388 10.371 -5.398 989 1HG LYS 128 HG2 LYS 128 10.012 10.700 -3.601 990 2HG LYS 128 HG1 LYS 128 11.327 10.404 -4.738 991 1HD LYS 128 HD2 LYS 128 10.716 12.369 -6.010 992 2HD LYS 128 HD1 LYS 128 9.308 12.633 -4.976 993 1HE LYS 128 HE2 LYS 128 11.207 14.102 -4.394 994 2HE LYS 128 HE1 LYS 128 10.734 13.040 -3.068 995 1HZ LYS 128 HZ1 LYS 128 13.038 12.623 -4.905 996 2HZ LYS 128 HZ2 LYS 128 12.566 11.563 -3.675 997 3HZ LYS 128 HZ3 LYS 128 13.129 13.107 -3.279 998 H GLU 129 HN GLU 129 10.993 7.987 -3.279 999 HA GLU 129 HA GLU 129 9.171 7.301 -1.216 1000 1HB GLU 129 HB2 GLU 129 12.039 8.201 -0.879 1001 2HB GLU 129 HB1 GLU 129 11.099 7.208 0.226 1002 1HG GLU 129 HG2 GLU 129 12.271 5.555 -0.759 1003 2HG GLU 129 HG1 GLU 129 10.964 5.654 -1.937 1004 H VAL 130 HN VAL 130 8.399 8.453 0.474 1005 HA VAL 130 HA VAL 130 8.663 11.385 0.301 1006 HB VAL 130 HB VAL 130 6.225 9.776 1.130 1007 1HG1 VAL 130 HG11 VAL 130 6.556 12.733 0.659 1008 2HG1 VAL 130 HG12 VAL 130 6.294 11.941 2.214 1009 3HG1 VAL 130 HG13 VAL 130 5.034 11.900 0.982 1010 1HG2 VAL 130 HG21 VAL 130 5.291 10.583 -1.009 1011 2HG2 VAL 130 HG22 VAL 130 6.617 9.433 -1.174 1012 3HG2 VAL 130 HG23 VAL 130 6.901 11.156 -1.448 1013 H LYS 131 HN LYS 131 8.723 8.596 2.333 1014 HA LYS 131 HA LYS 131 9.375 8.246 4.476 1015 1HB LYS 131 HB2 LYS 131 10.277 11.064 4.101 1016 2HB LYS 131 HB1 LYS 131 10.229 10.415 5.733 1017 1HG LYS 131 HG2 LYS 131 11.681 9.085 3.461 1018 2HG LYS 131 HG1 LYS 131 12.434 10.230 4.574 1019 1HD LYS 131 HD2 LYS 131 11.859 8.780 6.458 1020 2HD LYS 131 HD1 LYS 131 11.099 7.637 5.350 1021 1HE LYS 131 HE2 LYS 131 13.214 7.190 4.287 1022 2HE LYS 131 HE1 LYS 131 14.003 8.443 5.244 1023 1HZ LYS 131 HZ1 LYS 131 12.712 6.044 6.425 1024 2HZ LYS 131 HZ2 LYS 131 13.698 7.175 7.214 1025 3HZ LYS 131 HZ3 LYS 131 14.362 6.137 6.052 1026 H LEU 132 HN LEU 132 9.035 9.605 6.817 1027 HA LEU 132 HA LEU 132 6.113 9.868 6.867 1028 1HB LEU 132 HB2 LEU 132 8.070 8.733 8.818 1029 2HB LEU 132 HB1 LEU 132 6.566 9.406 9.416 1030 HG LEU 132 HG LEU 132 5.321 7.830 7.952 1031 1HD1 LEU 132 HD11 LEU 132 6.492 5.934 6.966 1032 2HD1 LEU 132 HD12 LEU 132 8.040 6.636 7.439 1033 3HD1 LEU 132 HD13 LEU 132 7.024 7.456 6.252 1034 1HD2 LEU 132 HD21 LEU 132 5.709 7.305 10.292 1035 2HD2 LEU 132 HD22 LEU 132 7.257 6.567 9.884 1036 3HD2 LEU 132 HD23 LEU 132 5.757 5.842 9.309 1037 H GLU 133 HN GLU 133 5.633 11.927 6.770 1038 HA GLU 133 HA GLU 133 7.144 13.983 8.085 1039 1HB GLU 133 HB2 GLU 133 5.957 14.408 5.981 1040 2HB GLU 133 HB1 GLU 133 4.426 14.033 6.756 1041 1HG GLU 133 HG2 GLU 133 5.012 15.958 8.358 1042 2HG GLU 133 HG1 GLU 133 6.183 16.420 7.123 1043 H HIS 134 HN HIS 134 4.512 11.914 8.886 1044 HA HIS 134 HA HIS 134 3.372 13.710 10.858 1045 1HB HIS 134 HB2 HIS 134 2.586 10.947 9.924 1046 2HB HIS 134 HB1 HIS 134 1.748 11.804 11.214 1047 HD1 HIS 134 HD1 HIS 134 -0.074 13.358 10.517 1048 HD2 HIS 134 HD2 HIS 134 2.439 12.359 7.361 1049 HE1 HIS 134 HE1 HIS 134 -1.134 14.351 8.466 1050 HE2 HIS 134 HE2 HIS 134 0.544 13.955 6.626 1051 H HIS 135 HN HIS 135 5.959 13.080 11.486 1052 HA HIS 135 HA HIS 135 7.194 12.666 13.333 1053 1HB HIS 135 HB2 HIS 135 4.525 12.043 14.612 1054 2HB HIS 135 HB1 HIS 135 6.045 12.188 15.488 1055 HD1 HIS 135 HD1 HIS 135 6.228 14.378 16.604 1056 HD2 HIS 135 HD2 HIS 135 4.126 14.649 13.026 1057 HE1 HIS 135 HE1 HIS 135 5.578 16.798 16.374 1058 HE2 HIS 135 HE2 HIS 135 4.103 16.880 14.330 1059 H HIS 136 HN HIS 136 4.760 10.203 14.073 1060 HA HIS 136 HA HIS 136 6.527 8.072 13.195 1061 1HB HIS 136 HB2 HIS 136 5.838 8.539 16.098 1062 2HB HIS 136 HB1 HIS 136 6.271 6.947 15.491 1063 HD1 HIS 136 HD1 HIS 136 7.785 9.393 17.356 1064 HD2 HIS 136 HD2 HIS 136 8.929 7.469 13.853 1065 HE1 HIS 136 HE1 HIS 136 10.282 9.636 17.236 1066 HE2 HIS 136 HE2 HIS 136 10.959 8.271 15.234 1067 H HIS 137 HN HIS 137 5.442 5.933 13.373 1068 HA HIS 137 HA HIS 137 2.551 6.075 13.787 1069 1HB HIS 137 HB2 HIS 137 3.284 6.410 11.293 1070 2HB HIS 137 HB1 HIS 137 3.576 4.676 11.334 1071 HD1 HIS 137 HD1 HIS 137 1.480 3.123 11.541 1072 HD2 HIS 137 HD2 HIS 137 0.606 7.181 11.312 1073 HE1 HIS 137 HE1 HIS 137 -0.974 3.258 11.028 1074 HE2 HIS 137 HE2 HIS 137 -1.518 5.713 11.178 1075 H HIS 138 HN HIS 138 4.835 4.889 15.209 1076 HA HIS 138 HA HIS 138 3.693 2.378 15.814 1077 1HB HIS 138 HB2 HIS 138 4.929 1.898 13.614 1078 2HB HIS 138 HB1 HIS 138 6.415 2.122 14.532 1079 HD1 HIS 138 HD1 HIS 138 7.349 -0.153 14.899 1080 HD2 HIS 138 HD2 HIS 138 3.224 -0.034 15.469 1081 HE1 HIS 138 HE1 HIS 138 6.693 -2.461 15.668 1082 HE2 HIS 138 HE2 HIS 138 4.175 -2.411 15.831 1083 H HIS 139 HN HIS 139 7.046 3.577 15.707 1084 HA HIS 139 HA HIS 139 7.117 3.470 18.639 1085 1HB HIS 139 HB2 HIS 139 9.230 3.331 16.518 1086 2HB HIS 139 HB1 HIS 139 9.659 3.946 18.110 1087 HD1 HIS 139 HD1 HIS 139 9.092 0.843 16.236 1088 HD2 HIS 139 HD2 HIS 139 9.335 2.018 20.220 1089 HE1 HIS 139 HE1 HIS 139 9.444 -1.275 17.555 1090 HE2 HIS 139 HE2 HIS 139 9.819 -0.506 19.928 Start of MODEL 3 1 1H MET 1 HT1 MET 1 20.449 6.117 16.624 2 2H MET 1 HT2 MET 1 20.840 6.255 14.978 3 3H MET 1 HT3 MET 1 20.913 4.747 15.741 4 HA MET 1 HA MET 1 18.639 4.542 15.914 5 1HB MET 1 HB2 MET 1 17.082 6.388 15.394 6 2HB MET 1 HB1 MET 1 18.127 6.750 16.759 7 1HG MET 1 HG2 MET 1 19.549 8.107 15.286 8 2HG MET 1 HG1 MET 1 18.448 7.777 13.949 9 1HE MET 1 HE1 MET 1 17.500 8.408 17.727 10 2HE MET 1 HE2 MET 1 17.252 10.154 17.727 11 3HE MET 1 HE3 MET 1 18.865 9.491 17.460 12 H GLY 2 HN GLY 2 16.942 4.498 14.091 13 1HA GLY 2 HA2 GLY 2 16.457 3.962 11.897 14 2HA GLY 2 HA1 GLY 2 17.896 4.856 11.417 15 H ASP 3 HN ASP 3 18.206 2.424 13.795 16 HA ASP 3 HA ASP 3 19.589 0.676 11.874 17 1HB ASP 3 HB2 ASP 3 20.983 -0.029 13.782 18 2HB ASP 3 HB1 ASP 3 21.080 1.710 13.524 19 H LYS 4 HN LYS 4 17.403 0.825 14.602 20 HA LYS 4 HA LYS 4 16.942 -2.006 14.718 21 1HB LYS 4 HB2 LYS 4 15.337 0.284 15.877 22 2HB LYS 4 HB1 LYS 4 15.146 -1.413 16.293 23 1HG LYS 4 HG2 LYS 4 17.282 -1.475 17.342 24 2HG LYS 4 HG1 LYS 4 17.689 0.131 16.734 25 1HD LYS 4 HD2 LYS 4 15.914 1.112 18.081 26 2HD LYS 4 HD1 LYS 4 15.444 -0.488 18.656 27 1HE LYS 4 HE2 LYS 4 18.160 0.737 19.099 28 2HE LYS 4 HE1 LYS 4 16.836 0.830 20.258 29 1HZ LYS 4 HZ1 LYS 4 18.332 -0.972 20.802 30 2HZ LYS 4 HZ2 LYS 4 18.120 -1.666 19.270 31 3HZ LYS 4 HZ3 LYS 4 16.818 -1.594 20.356 32 H GLU 5 HN GLU 5 15.032 0.790 13.672 33 HA GLU 5 HA GLU 5 13.525 -0.923 11.837 34 1HB GLU 5 HB2 GLU 5 12.220 -0.689 13.932 35 2HB GLU 5 HB1 GLU 5 12.307 1.059 13.778 36 1HG GLU 5 HG2 GLU 5 11.077 0.854 11.620 37 2HG GLU 5 HG1 GLU 5 10.870 -0.861 11.966 38 H GLU 6 HN GLU 6 12.697 0.202 10.010 39 HA GLU 6 HA GLU 6 13.176 3.072 9.860 40 1HB GLU 6 HB2 GLU 6 15.259 2.255 8.983 41 2HB GLU 6 HB1 GLU 6 14.436 1.084 7.965 42 1HG GLU 6 HG2 GLU 6 15.196 2.877 6.592 43 2HG GLU 6 HG1 GLU 6 13.441 2.955 6.689 44 H SER 7 HN SER 7 11.790 4.112 8.514 45 HA SER 7 HA SER 7 9.784 2.413 7.188 46 1HB SER 7 HB2 SER 7 9.381 5.152 8.419 47 2HB SER 7 HB1 SER 7 8.139 4.170 7.642 48 HG SER 7 HG SER 7 9.542 2.900 9.649 49 H LYS 8 HN LYS 8 9.559 2.662 5.080 50 HA LYS 8 HA LYS 8 10.663 5.086 3.817 51 1HB LYS 8 HB2 LYS 8 10.633 2.225 3.026 52 2HB LYS 8 HB1 LYS 8 10.324 3.373 1.742 53 1HG LYS 8 HG2 LYS 8 12.748 3.396 3.523 54 2HG LYS 8 HG1 LYS 8 12.684 2.727 1.891 55 1HD LYS 8 HD2 LYS 8 11.858 5.072 1.205 56 2HD LYS 8 HD1 LYS 8 12.486 5.589 2.771 57 1HE LYS 8 HE2 LYS 8 14.257 5.972 1.298 58 2HE LYS 8 HE1 LYS 8 14.662 4.437 2.064 59 1HZ LYS 8 HZ1 LYS 8 13.734 3.295 0.093 60 2HZ LYS 8 HZ2 LYS 8 15.047 4.293 -0.290 61 3HZ LYS 8 HZ3 LYS 8 13.474 4.806 -0.642 62 H LYS 9 HN LYS 9 8.811 6.340 3.993 63 HA LYS 9 HA LYS 9 6.372 5.382 2.746 64 1HB LYS 9 HB2 LYS 9 6.503 6.882 4.835 65 2HB LYS 9 HB1 LYS 9 6.875 8.182 3.712 66 1HG LYS 9 HG2 LYS 9 4.761 7.820 2.569 67 2HG LYS 9 HG1 LYS 9 4.391 6.485 3.661 68 1HD LYS 9 HD2 LYS 9 4.689 8.215 5.542 69 2HD LYS 9 HD1 LYS 9 4.544 9.421 4.260 70 1HE LYS 9 HE2 LYS 9 2.389 8.380 3.604 71 2HE LYS 9 HE1 LYS 9 2.534 7.299 4.987 72 1HZ LYS 9 HZ1 LYS 9 2.572 9.290 6.424 73 2HZ LYS 9 HZ2 LYS 9 1.120 9.107 5.568 74 3HZ LYS 9 HZ3 LYS 9 2.265 10.255 5.061 75 H PHE 10 HN PHE 10 6.049 5.547 0.638 76 HA PHE 10 HA PHE 10 7.181 7.911 -0.713 77 1HB PHE 10 HB2 PHE 10 7.608 6.709 -2.669 78 2HB PHE 10 HB1 PHE 10 8.047 5.543 -1.429 79 HD1 PHE 10 HD1 PHE 10 6.718 3.554 -1.073 80 HD2 PHE 10 HD2 PHE 10 5.628 6.413 -4.029 81 HE1 PHE 10 HE1 PHE 10 5.180 1.925 -2.084 82 HE2 PHE 10 HE2 PHE 10 4.084 4.789 -5.040 83 HZ PHE 10 HZ PHE 10 3.858 2.541 -4.066 84 H SER 11 HN SER 11 5.759 8.765 -2.440 85 HA SER 11 HA SER 11 3.002 7.834 -2.304 86 1HB SER 11 HB2 SER 11 3.594 10.731 -1.695 87 2HB SER 11 HB1 SER 11 2.047 9.915 -1.609 88 HG SER 11 HG SER 11 3.586 8.546 -0.041 89 H ALA 12 HN ALA 12 2.395 7.633 -4.321 90 HA ALA 12 HA ALA 12 3.224 9.688 -6.263 91 1HB ALA 12 HB1 ALA 12 4.577 7.662 -6.572 92 2HB ALA 12 HB2 ALA 12 3.527 7.974 -7.956 93 3HB ALA 12 HB3 ALA 12 3.101 6.720 -6.789 94 H ASN 13 HN ASN 13 1.553 10.619 -7.198 95 HA ASN 13 HA ASN 13 -1.057 9.305 -7.181 96 1HB ASN 13 HB2 ASN 13 -0.877 11.691 -6.499 97 2HB ASN 13 HB1 ASN 13 -0.277 12.086 -8.104 98 1HD2 ASN 13 HD21 ASN 13 -2.676 12.953 -6.596 99 2HD2 ASN 13 HD22 ASN 13 -4.009 12.633 -7.646 100 H LEU 14 HN LEU 14 -1.374 7.901 -8.792 101 HA LEU 14 HA LEU 14 -0.224 8.533 -11.418 102 1HB LEU 14 HB2 LEU 14 -0.999 6.052 -11.847 103 2HB LEU 14 HB1 LEU 14 0.523 6.418 -11.062 104 HG LEU 14 HG LEU 14 -1.849 5.978 -9.315 105 1HD1 LEU 14 HD11 LEU 14 -2.038 4.172 -10.945 106 2HD1 LEU 14 HD12 LEU 14 -1.493 3.553 -9.386 107 3HD1 LEU 14 HD13 LEU 14 -0.339 3.765 -10.704 108 1HD2 LEU 14 HD21 LEU 14 -0.154 4.964 -7.882 109 2HD2 LEU 14 HD22 LEU 14 0.326 6.588 -8.373 110 3HD2 LEU 14 HD23 LEU 14 1.057 5.180 -9.146 111 H ASN 15 HN ASN 15 -2.436 9.955 -10.589 112 HA ASN 15 HA ASN 15 -4.125 10.937 -11.724 113 1HB ASN 15 HB2 ASN 15 -3.149 10.174 -13.828 114 2HB ASN 15 HB1 ASN 15 -3.947 8.616 -13.644 115 1HD2 ASN 15 HD21 ASN 15 -6.096 8.425 -14.146 116 2HD2 ASN 15 HD22 ASN 15 -7.008 9.689 -14.894 117 H GLY 16 HN GLY 16 -4.614 7.453 -11.720 118 1HA GLY 16 HA2 GLY 16 -7.431 7.804 -11.085 119 2HA GLY 16 HA1 GLY 16 -6.610 6.277 -11.374 120 H THR 17 HN THR 17 -4.497 6.691 -9.519 121 HA THR 17 HA THR 17 -5.892 6.789 -6.946 122 HB THR 17 HB THR 17 -4.396 4.782 -6.303 123 HG1 THR 17 HG1 THR 17 -3.734 3.497 -7.991 124 1HG2 THR 17 HG21 THR 17 -6.734 4.374 -8.175 125 2HG2 THR 17 HG22 THR 17 -6.838 4.656 -6.437 126 3HG2 THR 17 HG23 THR 17 -6.095 3.178 -7.048 127 H GLU 18 HN GLU 18 -4.741 7.696 -5.319 128 HA GLU 18 HA GLU 18 -1.958 8.452 -5.879 129 1HB GLU 18 HB2 GLU 18 -3.385 9.429 -3.454 130 2HB GLU 18 HB1 GLU 18 -2.230 10.259 -4.480 131 1HG GLU 18 HG2 GLU 18 -3.908 10.605 -6.171 132 2HG GLU 18 HG1 GLU 18 -5.074 9.656 -5.243 133 H ILE 19 HN ILE 19 -0.733 6.729 -5.316 134 HA ILE 19 HA ILE 19 -1.502 5.192 -2.953 135 HB ILE 19 HB ILE 19 0.543 4.533 -5.076 136 1HG1 ILE 19 HG12 ILE 19 -2.288 3.530 -4.682 137 2HG1 ILE 19 HG11 ILE 19 -1.745 4.601 -5.970 138 1HG2 ILE 19 HG21 ILE 19 0.452 2.267 -4.132 139 2HG2 ILE 19 HG22 ILE 19 -0.623 2.850 -2.862 140 3HG2 ILE 19 HG23 ILE 19 1.034 3.449 -2.960 141 1HD1 ILE 19 HD11 ILE 19 -0.323 2.826 -6.848 142 2HD1 ILE 19 HD12 ILE 19 -2.011 2.324 -6.762 143 3HD1 ILE 19 HD13 ILE 19 -0.859 1.755 -5.553 144 H ALA 20 HN ALA 20 -0.620 5.754 -1.107 145 HA ALA 20 HA ALA 20 2.239 6.463 -1.091 146 1HB ALA 20 HB1 ALA 20 1.260 7.451 1.280 147 2HB ALA 20 HB2 ALA 20 -0.040 7.800 0.139 148 3HB ALA 20 HB3 ALA 20 1.587 8.388 -0.173 149 H ILE 21 HN ILE 21 3.381 4.842 -0.336 150 HA ILE 21 HA ILE 21 2.135 3.024 1.614 151 HB ILE 21 HB ILE 21 4.302 2.384 -0.391 152 1HG1 ILE 21 HG12 ILE 21 1.382 1.583 -0.341 153 2HG1 ILE 21 HG11 ILE 21 2.114 2.722 -1.463 154 1HG2 ILE 21 HG21 ILE 21 4.515 1.089 1.652 155 2HG2 ILE 21 HG22 ILE 21 3.969 0.063 0.325 156 3HG2 ILE 21 HG23 ILE 21 2.820 0.612 1.545 157 1HD1 ILE 21 HD11 ILE 21 3.484 0.932 -2.391 158 2HD1 ILE 21 HD12 ILE 21 1.765 0.552 -2.495 159 3HD1 ILE 21 HD13 ILE 21 2.764 -0.210 -1.257 160 H THR 22 HN THR 22 3.031 2.900 3.536 161 HA THR 22 HA THR 22 5.731 3.946 3.968 162 HB THR 22 HB THR 22 3.692 3.084 6.036 163 HG1 THR 22 HG1 THR 22 2.726 4.898 5.527 164 1HG2 THR 22 HG21 THR 22 5.061 4.429 7.567 165 2HG2 THR 22 HG22 THR 22 6.191 4.772 6.257 166 3HG2 THR 22 HG23 THR 22 6.000 3.122 6.849 167 H TYR 23 HN TYR 23 7.171 2.372 3.476 168 HA TYR 23 HA TYR 23 6.711 -0.389 4.194 169 1HB TYR 23 HB2 TYR 23 9.192 0.951 3.095 170 2HB TYR 23 HB1 TYR 23 8.966 -0.784 3.274 171 HD1 TYR 23 HD1 TYR 23 8.585 2.016 1.134 172 HD2 TYR 23 HD2 TYR 23 7.023 -1.847 1.964 173 HE1 TYR 23 HE1 TYR 23 7.633 1.928 -1.120 174 HE2 TYR 23 HE2 TYR 23 6.059 -1.950 -0.294 175 HH TYR 23 HH TYR 23 5.395 -0.515 -2.066 176 H VAL 24 HN VAL 24 6.712 -0.673 6.389 177 HA VAL 24 HA VAL 24 8.994 0.326 7.898 178 HB VAL 24 HB VAL 24 6.547 -1.223 8.761 179 1HG1 VAL 24 HG11 VAL 24 7.365 -1.005 11.060 180 2HG1 VAL 24 HG12 VAL 24 8.865 -0.294 10.465 181 3HG1 VAL 24 HG13 VAL 24 8.473 -1.970 10.085 182 1HG2 VAL 24 HG21 VAL 24 6.209 1.146 8.292 183 2HG2 VAL 24 HG22 VAL 24 7.533 1.555 9.384 184 3HG2 VAL 24 HG23 VAL 24 6.061 0.818 10.018 185 H TYR 25 HN TYR 25 10.763 -0.748 7.305 186 HA TYR 25 HA TYR 25 10.586 -3.670 7.329 187 1HB TYR 25 HB2 TYR 25 12.540 -3.734 5.865 188 2HB TYR 25 HB1 TYR 25 11.218 -2.838 5.139 189 HD1 TYR 25 HD1 TYR 25 14.649 -2.756 6.226 190 HD2 TYR 25 HD2 TYR 25 11.374 -0.323 4.998 191 HE1 TYR 25 HE1 TYR 25 16.207 -0.929 5.709 192 HE2 TYR 25 HE2 TYR 25 12.929 1.512 4.488 193 HH TYR 25 HH TYR 25 15.169 2.261 5.055 194 H LYS 26 HN LYS 26 12.133 -4.869 8.332 195 HA LYS 26 HA LYS 26 13.875 -3.516 10.244 196 1HB LYS 26 HB2 LYS 26 11.496 -3.855 11.168 197 2HB LYS 26 HB1 LYS 26 11.856 -5.573 11.145 198 1HG LYS 26 HG2 LYS 26 13.557 -5.329 12.773 199 2HG LYS 26 HG1 LYS 26 13.531 -3.567 12.626 200 1HD LYS 26 HD2 LYS 26 11.285 -5.295 13.681 201 2HD LYS 26 HD1 LYS 26 12.364 -4.286 14.650 202 1HE LYS 26 HE2 LYS 26 11.552 -2.298 13.446 203 2HE LYS 26 HE1 LYS 26 10.449 -3.318 12.528 204 1HZ LYS 26 HZ1 LYS 26 10.393 -3.018 15.482 205 2HZ LYS 26 HZ2 LYS 26 9.263 -3.850 14.524 206 3HZ LYS 26 HZ3 LYS 26 9.397 -2.161 14.409 207 H GLY 27 HN GLY 27 15.776 -4.560 10.150 208 1HA GLY 27 HA2 GLY 27 17.268 -6.317 9.811 209 2HA GLY 27 HA1 GLY 27 15.899 -7.408 9.624 210 H ASP 28 HN ASP 28 15.633 -8.189 7.631 211 HA ASP 28 HA ASP 28 16.662 -6.611 5.365 212 1HB ASP 28 HB2 ASP 28 17.620 -8.915 5.751 213 2HB ASP 28 HB1 ASP 28 16.027 -9.569 5.391 214 H LYS 29 HN LYS 29 13.845 -8.113 6.731 215 HA LYS 29 HA LYS 29 12.355 -8.012 4.234 216 1HB LYS 29 HB2 LYS 29 12.258 -9.874 6.098 217 2HB LYS 29 HB1 LYS 29 11.152 -8.758 6.869 218 1HG LYS 29 HG2 LYS 29 9.905 -8.743 4.621 219 2HG LYS 29 HG1 LYS 29 10.827 -10.204 4.272 220 1HD LYS 29 HD2 LYS 29 9.015 -9.790 6.653 221 2HD LYS 29 HD1 LYS 29 8.612 -10.711 5.204 222 1HE LYS 29 HE2 LYS 29 10.394 -12.290 5.685 223 2HE LYS 29 HE1 LYS 29 10.880 -11.343 7.092 224 1HZ LYS 29 HZ1 LYS 29 9.527 -13.257 7.707 225 2HZ LYS 29 HZ2 LYS 29 8.248 -12.690 6.753 226 3HZ LYS 29 HZ3 LYS 29 8.744 -11.809 8.116 227 H VAL 30 HN VAL 30 10.641 -6.642 3.831 228 HA VAL 30 HA VAL 30 10.095 -4.457 5.643 229 HB VAL 30 HB VAL 30 8.482 -5.313 3.228 230 1HG1 VAL 30 HG11 VAL 30 7.708 -2.988 3.229 231 2HG1 VAL 30 HG12 VAL 30 8.658 -2.677 4.683 232 3HG1 VAL 30 HG13 VAL 30 7.306 -3.810 4.737 233 1HG2 VAL 30 HG21 VAL 30 10.757 -3.339 3.363 234 2HG2 VAL 30 HG22 VAL 30 9.724 -3.626 1.962 235 3HG2 VAL 30 HG23 VAL 30 10.783 -4.906 2.554 236 H LEU 31 HN LEU 31 9.244 -5.232 7.532 237 HA LEU 31 HA LEU 31 7.749 -7.645 7.580 238 1HB LEU 31 HB2 LEU 31 8.260 -5.636 9.768 239 2HB LEU 31 HB1 LEU 31 7.595 -7.245 10.003 240 HG LEU 31 HG LEU 31 10.358 -6.570 8.995 241 1HD1 LEU 31 HD11 LEU 31 11.102 -7.738 10.999 242 2HD1 LEU 31 HD12 LEU 31 9.425 -7.934 11.510 243 3HD1 LEU 31 HD13 LEU 31 10.127 -6.320 11.393 244 1HD2 LEU 31 HD21 LEU 31 9.057 -9.259 9.361 245 2HD2 LEU 31 HD22 LEU 31 10.747 -8.973 8.948 246 3HD2 LEU 31 HD23 LEU 31 9.474 -8.505 7.822 247 H LYS 32 HN LYS 32 6.862 -4.247 7.813 248 HA LYS 32 HA LYS 32 4.089 -5.100 7.407 249 1HB LYS 32 HB2 LYS 32 5.010 -3.050 9.431 250 2HB LYS 32 HB1 LYS 32 3.339 -3.230 8.918 251 1HG LYS 32 HG2 LYS 32 3.312 -5.517 9.763 252 2HG LYS 32 HG1 LYS 32 4.997 -5.358 10.259 253 1HD LYS 32 HD2 LYS 32 4.385 -3.575 11.805 254 2HD LYS 32 HD1 LYS 32 2.703 -3.694 11.290 255 1HE LYS 32 HE2 LYS 32 4.285 -5.906 12.596 256 2HE LYS 32 HE1 LYS 32 3.133 -4.858 13.422 257 1HZ LYS 32 HZ1 LYS 32 2.550 -6.826 11.271 258 2HZ LYS 32 HZ2 LYS 32 1.422 -5.693 11.846 259 3HZ LYS 32 HZ3 LYS 32 2.035 -6.879 12.888 260 H GLN 33 HN GLN 33 3.356 -4.277 5.632 261 HA GLN 33 HA GLN 33 4.569 -1.814 4.580 262 1HB GLN 33 HB2 GLN 33 4.891 -3.748 3.146 263 2HB GLN 33 HB1 GLN 33 3.167 -4.094 3.172 264 1HG GLN 33 HG2 GLN 33 2.730 -2.005 1.990 265 2HG GLN 33 HG1 GLN 33 4.457 -1.657 1.966 266 1HE2 GLN 33 HE21 GLN 33 2.522 -2.034 -0.212 267 2HE2 GLN 33 HE22 GLN 33 3.186 -3.289 -1.200 268 H SER 34 HN SER 34 3.335 -0.150 5.226 269 HA SER 34 HA SER 34 0.441 -0.424 5.316 270 1HB SER 34 HB2 SER 34 2.183 1.968 5.970 271 2HB SER 34 HB1 SER 34 0.462 1.805 6.325 272 HG SER 34 HG SER 34 2.195 -0.177 7.264 273 H SER 35 HN SER 35 -0.182 -0.592 3.202 274 HA SER 35 HA SER 35 0.676 1.470 1.310 275 1HB SER 35 HB2 SER 35 -0.978 -0.991 0.726 276 2HB SER 35 HB1 SER 35 -0.069 -0.004 -0.417 277 HG SER 35 HG SER 35 0.985 -1.655 1.634 278 H GLU 36 HN GLU 36 -0.585 3.241 1.764 279 HA GLU 36 HA GLU 36 -3.484 2.830 1.926 280 1HB GLU 36 HB2 GLU 36 -1.786 5.225 2.521 281 2HB GLU 36 HB1 GLU 36 -3.528 5.204 2.667 282 1HG GLU 36 HG2 GLU 36 -3.338 3.493 4.400 283 2HG GLU 36 HG1 GLU 36 -1.582 3.537 4.241 284 H THR 37 HN THR 37 -4.422 2.831 0.008 285 HA THR 37 HA THR 37 -3.393 4.553 -2.111 286 HB THR 37 HB THR 37 -5.504 2.384 -2.201 287 HG1 THR 37 HG1 THR 37 -3.856 1.077 -2.474 288 1HG2 THR 37 HG21 THR 37 -5.833 4.072 -3.947 289 2HG2 THR 37 HG22 THR 37 -5.271 2.548 -4.633 290 3HG2 THR 37 HG23 THR 37 -4.148 3.893 -4.439 291 H LYS 38 HN LYS 38 -4.160 6.558 -2.111 292 HA LYS 38 HA LYS 38 -6.782 7.170 -1.059 293 1HB LYS 38 HB2 LYS 38 -4.961 8.687 -0.578 294 2HB LYS 38 HB1 LYS 38 -4.638 8.896 -2.285 295 1HG LYS 38 HG2 LYS 38 -6.423 10.303 -2.598 296 2HG LYS 38 HG1 LYS 38 -7.312 9.652 -1.217 297 1HD LYS 38 HD2 LYS 38 -5.924 10.780 0.326 298 2HD LYS 38 HD1 LYS 38 -4.738 11.181 -0.912 299 1HE LYS 38 HE2 LYS 38 -7.536 12.197 -1.148 300 2HE LYS 38 HE1 LYS 38 -6.416 12.987 -0.042 301 1HZ LYS 38 HZ1 LYS 38 -5.978 12.586 -2.961 302 2HZ LYS 38 HZ2 LYS 38 -4.903 13.344 -1.895 303 3HZ LYS 38 HZ3 LYS 38 -6.409 14.049 -2.210 304 H ILE 39 HN ILE 39 -8.434 6.613 -2.257 305 HA ILE 39 HA ILE 39 -8.247 6.798 -5.174 306 HB ILE 39 HB ILE 39 -10.361 5.442 -3.488 307 1HG1 ILE 39 HG12 ILE 39 -8.033 4.188 -4.959 308 2HG1 ILE 39 HG11 ILE 39 -8.081 4.454 -3.220 309 1HG2 ILE 39 HG21 ILE 39 -10.951 4.300 -5.581 310 2HG2 ILE 39 HG22 ILE 39 -9.746 5.260 -6.437 311 3HG2 ILE 39 HG23 ILE 39 -11.146 6.049 -5.709 312 1HD1 ILE 39 HD11 ILE 39 -9.978 2.710 -4.774 313 2HD1 ILE 39 HD12 ILE 39 -9.978 2.952 -3.028 314 3HD1 ILE 39 HD13 ILE 39 -8.614 2.151 -3.807 315 H GLN 40 HN GLN 40 -9.283 8.363 -6.232 316 HA GLN 40 HA GLN 40 -11.074 10.131 -4.796 317 1HB GLN 40 HB2 GLN 40 -10.132 10.175 -7.671 318 2HB GLN 40 HB1 GLN 40 -11.105 11.423 -6.911 319 1HG GLN 40 HG2 GLN 40 -8.262 10.676 -6.280 320 2HG GLN 40 HG1 GLN 40 -8.852 12.180 -6.984 321 1HE2 GLN 40 HE21 GLN 40 -8.252 10.431 -4.094 322 2HE2 GLN 40 HE22 GLN 40 -8.757 11.658 -2.994 323 H PHE 41 HN PHE 41 -13.269 10.494 -5.395 324 HA PHE 41 HA PHE 41 -14.684 8.151 -6.087 325 1HB PHE 41 HB2 PHE 41 -15.467 11.009 -5.659 326 2HB PHE 41 HB1 PHE 41 -16.640 9.882 -6.333 327 HD1 PHE 41 HD1 PHE 41 -18.163 9.946 -4.509 328 HD2 PHE 41 HD2 PHE 41 -14.084 8.923 -3.862 329 HE1 PHE 41 HE1 PHE 41 -18.722 9.157 -2.248 330 HE2 PHE 41 HE2 PHE 41 -14.637 8.135 -1.600 331 HZ PHE 41 HZ PHE 41 -16.957 8.252 -0.788 332 H ALA 42 HN ALA 42 -13.166 10.455 -8.031 333 HA ALA 42 HA ALA 42 -14.865 10.291 -10.318 334 1HB ALA 42 HB1 ALA 42 -13.388 12.202 -9.933 335 2HB ALA 42 HB2 ALA 42 -13.061 11.435 -11.487 336 3HB ALA 42 HB3 ALA 42 -11.983 11.154 -10.121 337 H SER 43 HN SER 43 -12.224 8.357 -9.083 338 HA SER 43 HA SER 43 -11.947 7.002 -11.649 339 1HB SER 43 HB2 SER 43 -10.106 5.734 -10.398 340 2HB SER 43 HB1 SER 43 -9.840 7.449 -10.705 341 HG SER 43 HG SER 43 -9.316 6.948 -8.571 342 H ILE 44 HN ILE 44 -13.202 6.425 -8.421 343 HA ILE 44 HA ILE 44 -13.711 3.640 -8.942 344 HB ILE 44 HB ILE 44 -13.348 4.292 -6.645 345 1HG1 ILE 44 HG12 ILE 44 -16.224 3.467 -7.099 346 2HG1 ILE 44 HG11 ILE 44 -14.836 2.386 -7.054 347 1HG2 ILE 44 HG21 ILE 44 -14.150 6.576 -6.725 348 2HG2 ILE 44 HG22 ILE 44 -14.943 5.695 -5.420 349 3HG2 ILE 44 HG23 ILE 44 -15.809 6.009 -6.924 350 1HD1 ILE 44 HD11 ILE 44 -14.468 2.956 -4.712 351 2HD1 ILE 44 HD12 ILE 44 -16.088 2.312 -4.979 352 3HD1 ILE 44 HD13 ILE 44 -15.854 4.047 -4.761 353 H GLY 45 HN GLY 45 -15.447 6.640 -9.305 354 1HA GLY 45 HA2 GLY 45 -17.317 7.012 -10.635 355 2HA GLY 45 HA1 GLY 45 -17.485 5.275 -10.842 356 H ALA 46 HN ALA 46 -17.246 6.987 -7.784 357 HA ALA 46 HA ALA 46 -19.955 6.031 -7.128 358 1HB ALA 46 HB1 ALA 46 -18.189 5.087 -5.724 359 2HB ALA 46 HB2 ALA 46 -19.269 6.118 -4.785 360 3HB ALA 46 HB3 ALA 46 -17.679 6.713 -5.267 361 H THR 47 HN THR 47 -21.425 7.435 -6.153 362 HA THR 47 HA THR 47 -20.861 10.263 -6.579 363 HB THR 47 HB THR 47 -23.432 10.299 -5.853 364 HG1 THR 47 HG1 THR 47 -23.560 8.051 -5.441 365 1HG2 THR 47 HG21 THR 47 -24.007 10.120 -8.234 366 2HG2 THR 47 HG22 THR 47 -22.423 9.416 -8.559 367 3HG2 THR 47 HG23 THR 47 -22.549 11.081 -7.991 368 H THR 48 HN THR 48 -21.983 8.093 -3.999 369 HA THR 48 HA THR 48 -21.131 10.134 -2.057 370 HB THR 48 HB THR 48 -22.951 9.352 -0.539 371 HG1 THR 48 HG1 THR 48 -23.596 7.808 -2.831 372 1HG2 THR 48 HG21 THR 48 -23.233 11.402 -1.824 373 2HG2 THR 48 HG22 THR 48 -24.771 10.552 -1.671 374 3HG2 THR 48 HG23 THR 48 -23.868 10.478 -3.185 375 H LYS 49 HN LYS 49 -21.001 8.990 0.226 376 HA LYS 49 HA LYS 49 -18.990 7.008 -0.034 377 1HB LYS 49 HB2 LYS 49 -19.089 6.918 2.464 378 2HB LYS 49 HB1 LYS 49 -18.834 8.525 1.803 379 1HG LYS 49 HG2 LYS 49 -21.231 9.006 2.134 380 2HG LYS 49 HG1 LYS 49 -21.416 7.417 2.882 381 1HD LYS 49 HD2 LYS 49 -19.838 8.029 4.627 382 2HD LYS 49 HD1 LYS 49 -19.570 9.597 3.861 383 1HE LYS 49 HE2 LYS 49 -21.093 9.846 5.722 384 2HE LYS 49 HE1 LYS 49 -21.949 10.142 4.209 385 1HZ LYS 49 HZ1 LYS 49 -23.268 8.779 5.684 386 2HZ LYS 49 HZ2 LYS 49 -22.026 7.631 5.795 387 3HZ LYS 49 HZ3 LYS 49 -22.820 7.875 4.319 388 H GLU 50 HN GLU 50 -22.416 6.847 0.285 389 HA GLU 50 HA GLU 50 -22.671 4.206 1.260 390 1HB GLU 50 HB2 GLU 50 -24.469 6.075 0.858 391 2HB GLU 50 HB1 GLU 50 -24.565 5.389 -0.754 392 1HG GLU 50 HG2 GLU 50 -24.981 3.792 1.760 393 2HG GLU 50 HG1 GLU 50 -26.282 4.577 0.870 394 H ASP 51 HN ASP 51 -22.554 5.548 -2.020 395 HA ASP 51 HA ASP 51 -22.670 3.157 -3.466 396 1HB ASP 51 HB2 ASP 51 -21.104 5.642 -4.206 397 2HB ASP 51 HB1 ASP 51 -21.650 4.387 -5.310 398 H ALA 52 HN ALA 52 -19.950 4.919 -2.093 399 HA ALA 52 HA ALA 52 -17.877 3.351 -3.150 400 1HB ALA 52 HB1 ALA 52 -16.475 4.356 -1.432 401 2HB ALA 52 HB2 ALA 52 -17.910 4.919 -0.574 402 3HB ALA 52 HB3 ALA 52 -17.527 5.566 -2.169 403 H ALA 53 HN ALA 53 -19.467 3.198 0.042 404 HA ALA 53 HA ALA 53 -18.016 0.982 0.990 405 1HB ALA 53 HB1 ALA 53 -20.803 1.842 1.763 406 2HB ALA 53 HB2 ALA 53 -19.307 2.486 2.438 407 3HB ALA 53 HB3 ALA 53 -19.733 0.793 2.693 408 H LYS 54 HN LYS 54 -21.110 1.206 -0.710 409 HA LYS 54 HA LYS 54 -21.731 -1.551 -0.595 410 1HB LYS 54 HB2 LYS 54 -23.301 0.372 -1.072 411 2HB LYS 54 HB1 LYS 54 -22.625 0.432 -2.690 412 1HG LYS 54 HG2 LYS 54 -23.565 -1.615 -3.291 413 2HG LYS 54 HG1 LYS 54 -23.843 -2.084 -1.611 414 1HD LYS 54 HD2 LYS 54 -25.940 -1.454 -2.664 415 2HD LYS 54 HD1 LYS 54 -25.519 -0.292 -1.405 416 1HE LYS 54 HE2 LYS 54 -24.468 1.082 -3.303 417 2HE LYS 54 HE1 LYS 54 -25.380 0.031 -4.386 418 1HZ LYS 54 HZ1 LYS 54 -26.668 1.974 -3.967 419 2HZ LYS 54 HZ2 LYS 54 -26.471 1.825 -2.290 420 3HZ LYS 54 HZ3 LYS 54 -27.412 0.693 -3.135 421 H THR 55 HN THR 55 -19.396 0.136 -2.373 422 HA THR 55 HA THR 55 -19.219 -1.941 -4.428 423 HB THR 55 HB THR 55 -17.700 0.663 -4.158 424 HG1 THR 55 HG1 THR 55 -19.811 1.086 -4.750 425 1HG2 THR 55 HG21 THR 55 -16.383 -1.030 -5.344 426 2HG2 THR 55 HG22 THR 55 -16.930 0.235 -6.445 427 3HG2 THR 55 HG23 THR 55 -17.743 -1.331 -6.427 428 H LEU 56 HN LEU 56 -17.266 -0.466 -1.834 429 HA LEU 56 HA LEU 56 -15.013 -2.159 -2.583 430 1HB LEU 56 HB2 LEU 56 -15.207 0.147 -0.659 431 2HB LEU 56 HB1 LEU 56 -13.733 -0.730 -1.017 432 HG LEU 56 HG LEU 56 -15.339 0.868 -3.012 433 1HD1 LEU 56 HD11 LEU 56 -14.230 2.282 -1.369 434 2HD1 LEU 56 HD12 LEU 56 -13.456 2.421 -2.947 435 3HD1 LEU 56 HD13 LEU 56 -12.701 1.460 -1.677 436 1HD2 LEU 56 HD21 LEU 56 -12.686 -0.546 -3.279 437 2HD2 LEU 56 HD22 LEU 56 -13.416 0.506 -4.492 438 3HD2 LEU 56 HD23 LEU 56 -14.200 -1.013 -4.054 439 H GLU 57 HN GLU 57 -17.191 -1.751 0.180 440 HA GLU 57 HA GLU 57 -15.684 -2.767 2.225 441 1HB GLU 57 HB2 GLU 57 -18.630 -3.054 1.740 442 2HB GLU 57 HB1 GLU 57 -17.857 -3.625 3.212 443 1HG GLU 57 HG2 GLU 57 -16.942 -1.262 3.427 444 2HG GLU 57 HG1 GLU 57 -18.133 -0.821 2.209 445 HA PRO 58 HA PRO 58 -17.208 -7.315 1.325 446 1HB PRO 58 HB2 PRO 58 -17.530 -7.835 -1.374 447 2HB PRO 58 HB1 PRO 58 -18.837 -7.568 -0.221 448 1HG PRO 58 HG2 PRO 58 -17.624 -5.687 -2.181 449 2HG PRO 58 HG1 PRO 58 -19.311 -5.837 -1.659 450 1HD PRO 58 HD2 PRO 58 -17.686 -3.867 -0.777 451 2HD PRO 58 HD1 PRO 58 -18.965 -4.558 0.238 452 H LEU 59 HN LEU 59 -14.971 -5.406 -0.442 453 HA LEU 59 HA LEU 59 -13.373 -7.625 -1.378 454 1HB LEU 59 HB2 LEU 59 -13.006 -4.644 -1.380 455 2HB LEU 59 HB1 LEU 59 -11.686 -5.713 -1.802 456 HG LEU 59 HG LEU 59 -13.051 -6.631 -3.657 457 1HD1 LEU 59 HD11 LEU 59 -14.990 -4.445 -2.921 458 2HD1 LEU 59 HD12 LEU 59 -15.276 -6.178 -2.767 459 3HD1 LEU 59 HD13 LEU 59 -15.069 -5.457 -4.362 460 1HD2 LEU 59 HD21 LEU 59 -11.457 -4.827 -4.040 461 2HD2 LEU 59 HD22 LEU 59 -12.711 -3.639 -3.685 462 3HD2 LEU 59 HD23 LEU 59 -12.859 -4.680 -5.101 463 H SER 60 HN SER 60 -13.231 -5.255 1.234 464 HA SER 60 HA SER 60 -10.654 -5.825 2.156 465 1HB SER 60 HB2 SER 60 -12.986 -4.898 3.842 466 2HB SER 60 HB1 SER 60 -11.272 -4.592 4.124 467 HG SER 60 HG SER 60 -11.402 -3.543 1.922 468 H ALA 61 HN ALA 61 -13.577 -7.613 2.506 469 HA ALA 61 HA ALA 61 -13.000 -8.946 4.940 470 1HB ALA 61 HB1 ALA 61 -14.790 -10.469 4.317 471 2HB ALA 61 HB2 ALA 61 -14.778 -9.835 2.672 472 3HB ALA 61 HB3 ALA 61 -15.260 -8.797 4.015 473 H LYS 62 HN LYS 62 -11.923 -9.406 1.687 474 HA LYS 62 HA LYS 62 -11.278 -12.160 1.772 475 1HB LYS 62 HB2 LYS 62 -9.964 -9.963 0.161 476 2HB LYS 62 HB1 LYS 62 -9.865 -11.686 -0.168 477 1HG LYS 62 HG2 LYS 62 -12.206 -11.777 -0.695 478 2HG LYS 62 HG1 LYS 62 -12.417 -10.093 -0.207 479 1HD LYS 62 HD2 LYS 62 -10.882 -9.401 -2.000 480 2HD LYS 62 HD1 LYS 62 -10.723 -11.084 -2.500 481 1HE LYS 62 HE2 LYS 62 -13.280 -9.484 -2.473 482 2HE LYS 62 HE1 LYS 62 -12.318 -9.861 -3.902 483 1HZ LYS 62 HZ1 LYS 62 -13.787 -11.768 -2.171 484 2HZ LYS 62 HZ2 LYS 62 -12.687 -12.251 -3.368 485 3HZ LYS 62 HZ3 LYS 62 -14.096 -11.402 -3.798 486 H TYR 63 HN TYR 63 -9.742 -9.345 3.026 487 HA TYR 63 HA TYR 63 -7.072 -10.300 3.087 488 1HB TYR 63 HB2 TYR 63 -8.514 -8.027 4.415 489 2HB TYR 63 HB1 TYR 63 -6.829 -8.378 4.785 490 HD1 TYR 63 HD1 TYR 63 -9.153 -7.372 2.094 491 HD2 TYR 63 HD2 TYR 63 -5.098 -7.813 3.283 492 HE1 TYR 63 HE1 TYR 63 -8.443 -6.084 0.126 493 HE2 TYR 63 HE2 TYR 63 -4.366 -6.531 1.327 494 HH TYR 63 HH TYR 63 -6.548 -4.716 -0.574 495 H LYS 64 HN LYS 64 -9.752 -10.508 5.333 496 HA LYS 64 HA LYS 64 -8.096 -11.236 7.571 497 1HB LYS 64 HB2 LYS 64 -11.087 -11.247 7.174 498 2HB LYS 64 HB1 LYS 64 -10.309 -11.725 8.677 499 1HG LYS 64 HG2 LYS 64 -10.036 -9.023 7.371 500 2HG LYS 64 HG1 LYS 64 -11.109 -9.401 8.721 501 1HD LYS 64 HD2 LYS 64 -9.174 -10.012 10.090 502 2HD LYS 64 HD1 LYS 64 -8.099 -9.662 8.739 503 1HE LYS 64 HE2 LYS 64 -8.883 -7.315 8.773 504 2HE LYS 64 HE1 LYS 64 -9.872 -7.691 10.182 505 1HZ LYS 64 HZ1 LYS 64 -7.958 -8.087 11.482 506 2HZ LYS 64 HZ2 LYS 64 -7.637 -6.649 10.641 507 3HZ LYS 64 HZ3 LYS 64 -6.937 -8.110 10.133 508 H ASN 65 HN ASN 65 -8.481 -12.859 4.933 509 HA ASN 65 HA ASN 65 -8.836 -15.483 6.217 510 1HB ASN 65 HB2 ASN 65 -10.243 -14.872 4.190 511 2HB ASN 65 HB1 ASN 65 -8.755 -14.866 3.253 512 1HD2 ASN 65 HD21 ASN 65 -11.080 -16.787 4.938 513 2HD2 ASN 65 HD22 ASN 65 -10.574 -18.327 4.313 514 H ILE 66 HN ILE 66 -6.527 -13.291 5.314 515 HA ILE 66 HA ILE 66 -4.631 -15.249 4.256 516 HB ILE 66 HB ILE 66 -4.360 -12.248 4.397 517 1HG1 ILE 66 HG12 ILE 66 -5.089 -13.958 2.011 518 2HG1 ILE 66 HG11 ILE 66 -6.262 -13.069 2.974 519 1HG2 ILE 66 HG21 ILE 66 -2.788 -14.308 2.849 520 2HG2 ILE 66 HG22 ILE 66 -2.220 -13.414 4.259 521 3HG2 ILE 66 HG23 ILE 66 -2.570 -12.561 2.755 522 1HD1 ILE 66 HD11 ILE 66 -5.689 -11.881 0.934 523 2HD1 ILE 66 HD12 ILE 66 -3.992 -11.858 1.413 524 3HD1 ILE 66 HD13 ILE 66 -5.188 -10.974 2.360 525 H ALA 67 HN ALA 67 -4.303 -12.425 6.333 526 HA ALA 67 HA ALA 67 -3.049 -13.785 8.497 527 1HB ALA 67 HB1 ALA 67 -1.221 -14.020 6.895 528 2HB ALA 67 HB2 ALA 67 -0.768 -12.897 8.178 529 3HB ALA 67 HB3 ALA 67 -1.240 -12.283 6.597 530 H GLY 68 HN GLY 68 -1.243 -11.470 9.017 531 1HA GLY 68 HA2 GLY 68 -3.106 -9.608 10.130 532 2HA GLY 68 HA1 GLY 68 -1.356 -9.430 10.082 533 H VAL 69 HN VAL 69 -2.673 -10.112 7.084 534 HA VAL 69 HA VAL 69 -2.221 -7.456 6.040 535 HB VAL 69 HB VAL 69 -3.493 -9.725 4.516 536 1HG1 VAL 69 HG11 VAL 69 -3.299 -7.614 3.351 537 2HG1 VAL 69 HG12 VAL 69 -2.221 -8.819 2.636 538 3HG1 VAL 69 HG13 VAL 69 -1.571 -7.564 3.692 539 1HG2 VAL 69 HG21 VAL 69 -1.259 -10.559 3.924 540 2HG2 VAL 69 HG22 VAL 69 -1.649 -10.779 5.628 541 3HG2 VAL 69 HG23 VAL 69 -0.560 -9.484 5.134 542 H GLU 70 HN GLU 70 -3.815 -6.009 6.526 543 HA GLU 70 HA GLU 70 -6.581 -6.887 6.095 544 1HB GLU 70 HB2 GLU 70 -7.300 -5.680 8.108 545 2HB GLU 70 HB1 GLU 70 -6.201 -6.997 8.480 546 1HG GLU 70 HG2 GLU 70 -4.361 -5.322 8.627 547 2HG GLU 70 HG1 GLU 70 -5.576 -4.056 8.445 548 H GLU 71 HN GLU 71 -8.107 -5.131 5.828 549 HA GLU 71 HA GLU 71 -6.852 -2.784 4.582 550 1HB GLU 71 HB2 GLU 71 -7.615 -4.540 2.960 551 2HB GLU 71 HB1 GLU 71 -9.251 -4.304 3.552 552 1HG GLU 71 HG2 GLU 71 -9.248 -2.025 2.755 553 2HG GLU 71 HG1 GLU 71 -7.565 -2.184 2.243 554 H LYS 72 HN LYS 72 -7.697 -0.887 5.162 555 HA LYS 72 HA LYS 72 -10.243 -0.877 6.639 556 1HB LYS 72 HB2 LYS 72 -8.318 -0.473 8.130 557 2HB LYS 72 HB1 LYS 72 -7.824 0.878 7.120 558 1HG LYS 72 HG2 LYS 72 -8.957 1.672 9.103 559 2HG LYS 72 HG1 LYS 72 -9.911 2.042 7.667 560 1HD LYS 72 HD2 LYS 72 -11.315 0.074 8.108 561 2HD LYS 72 HD1 LYS 72 -10.371 -0.265 9.560 562 1HE LYS 72 HE2 LYS 72 -11.989 2.232 9.050 563 2HE LYS 72 HE1 LYS 72 -12.476 0.884 10.076 564 1HZ LYS 72 HZ1 LYS 72 -10.282 2.825 10.521 565 2HZ LYS 72 HZ2 LYS 72 -10.356 1.350 11.355 566 3HZ LYS 72 HZ3 LYS 72 -11.607 2.479 11.523 567 H LEU 73 HN LEU 73 -11.739 0.067 5.458 568 HA LEU 73 HA LEU 73 -10.980 2.024 3.439 569 1HB LEU 73 HB2 LEU 73 -13.637 0.700 3.982 570 2HB LEU 73 HB1 LEU 73 -13.274 1.742 2.619 571 HG LEU 73 HG LEU 73 -11.982 -0.933 3.159 572 1HD1 LEU 73 HD11 LEU 73 -14.017 -0.112 1.102 573 2HD1 LEU 73 HD12 LEU 73 -14.324 -1.131 2.510 574 3HD1 LEU 73 HD13 LEU 73 -13.249 -1.693 1.229 575 1HD2 LEU 73 HD21 LEU 73 -11.756 0.929 0.802 576 2HD2 LEU 73 HD22 LEU 73 -11.037 -0.679 0.931 577 3HD2 LEU 73 HD23 LEU 73 -10.497 0.617 1.999 578 H THR 74 HN THR 74 -10.706 3.974 4.359 579 HA THR 74 HA THR 74 -12.813 4.997 6.129 580 HB THR 74 HB THR 74 -11.184 6.899 6.492 581 HG1 THR 74 HG1 THR 74 -9.993 6.113 4.450 582 1HG2 THR 74 HG21 THR 74 -9.705 5.609 7.968 583 2HG2 THR 74 HG22 THR 74 -10.224 4.119 7.178 584 3HG2 THR 74 HG23 THR 74 -11.380 5.075 8.105 585 H TYR 75 HN TYR 75 -14.319 6.311 5.313 586 HA TYR 75 HA TYR 75 -13.843 7.450 2.640 587 1HB TYR 75 HB2 TYR 75 -16.494 6.949 4.009 588 2HB TYR 75 HB1 TYR 75 -16.254 7.460 2.345 589 HD1 TYR 75 HD1 TYR 75 -17.132 4.765 4.273 590 HD2 TYR 75 HD2 TYR 75 -14.541 5.743 1.046 591 HE1 TYR 75 HE1 TYR 75 -17.149 2.416 3.552 592 HE2 TYR 75 HE2 TYR 75 -14.550 3.397 0.318 593 HH TYR 75 HH TYR 75 -14.958 1.159 1.325 594 H THR 76 HN THR 76 -14.001 9.625 2.317 595 HA THR 76 HA THR 76 -14.705 11.262 4.649 596 HB THR 76 HB THR 76 -13.267 12.120 2.129 597 HG1 THR 76 HG1 THR 76 -12.289 11.368 4.705 598 1HG2 THR 76 HG21 THR 76 -12.666 14.110 3.429 599 2HG2 THR 76 HG22 THR 76 -13.609 13.511 4.793 600 3HG2 THR 76 HG23 THR 76 -14.417 13.952 3.288 601 H ASP 77 HN ASP 77 -14.769 12.123 1.252 602 HA ASP 77 HA ASP 77 -17.631 12.151 1.034 603 1HB ASP 77 HB2 ASP 77 -16.120 14.675 1.564 604 2HB ASP 77 HB1 ASP 77 -17.423 14.728 0.385 605 H THR 78 HN THR 78 -14.794 13.834 -0.277 606 HA THR 78 HA THR 78 -15.729 13.342 -2.986 607 HB THR 78 HB THR 78 -13.227 14.812 -2.144 608 HG1 THR 78 HG1 THR 78 -15.689 16.085 -2.732 609 1HG2 THR 78 HG21 THR 78 -13.381 14.224 -4.523 610 2HG2 THR 78 HG22 THR 78 -13.505 15.966 -4.283 611 3HG2 THR 78 HG23 THR 78 -14.953 15.016 -4.616 612 H TYR 79 HN TYR 79 -13.609 11.966 -0.709 613 HA TYR 79 HA TYR 79 -12.491 10.216 -2.738 614 1HB TYR 79 HB2 TYR 79 -10.211 10.552 -2.109 615 2HB TYR 79 HB1 TYR 79 -10.899 12.134 -2.448 616 HD1 TYR 79 HD1 TYR 79 -11.391 13.692 -0.566 617 HD2 TYR 79 HD2 TYR 79 -9.390 9.990 0.047 618 HE1 TYR 79 HE1 TYR 79 -10.592 14.492 1.619 619 HE2 TYR 79 HE2 TYR 79 -8.592 10.775 2.233 620 HH TYR 79 HH TYR 79 -9.829 13.454 3.799 621 H ALA 80 HN ALA 80 -11.336 8.380 -1.794 622 HA ALA 80 HA ALA 80 -12.135 7.770 0.970 623 1HB ALA 80 HB1 ALA 80 -12.685 5.489 0.299 624 2HB ALA 80 HB2 ALA 80 -12.324 5.885 -1.381 625 3HB ALA 80 HB3 ALA 80 -13.687 6.653 -0.567 626 H GLN 81 HN GLN 81 -10.582 6.754 2.168 627 HA GLN 81 HA GLN 81 -8.021 6.296 0.819 628 1HB GLN 81 HB2 GLN 81 -8.683 6.631 3.745 629 2HB GLN 81 HB1 GLN 81 -7.093 6.173 3.155 630 1HG GLN 81 HG2 GLN 81 -7.067 8.302 1.842 631 2HG GLN 81 HG1 GLN 81 -8.545 8.760 2.689 632 1HE2 GLN 81 HE21 GLN 81 -5.992 6.910 4.189 633 2HE2 GLN 81 HE22 GLN 81 -5.470 8.146 5.274 634 H GLU 82 HN GLU 82 -7.709 4.331 0.156 635 HA GLU 82 HA GLU 82 -8.816 2.049 1.572 636 1HB GLU 82 HB2 GLU 82 -8.912 2.110 -0.863 637 2HB GLU 82 HB1 GLU 82 -7.168 2.303 -0.958 638 1HG GLU 82 HG2 GLU 82 -6.927 0.041 0.026 639 2HG GLU 82 HG1 GLU 82 -8.684 -0.126 -0.037 640 H ASN 83 HN ASN 83 -7.690 2.203 3.515 641 HA ASN 83 HA ASN 83 -4.809 2.363 3.595 642 1HB ASN 83 HB2 ASN 83 -6.086 3.417 5.375 643 2HB ASN 83 HB1 ASN 83 -6.884 1.897 5.755 644 1HD2 ASN 83 HD21 ASN 83 -4.091 3.850 6.206 645 2HD2 ASN 83 HD22 ASN 83 -3.284 2.803 7.324 646 H VAL 84 HN VAL 84 -3.738 0.597 2.855 647 HA VAL 84 HA VAL 84 -4.840 -2.027 3.680 648 HB VAL 84 HB VAL 84 -2.929 -1.468 1.408 649 1HG1 VAL 84 HG11 VAL 84 -3.421 -3.795 0.759 650 2HG1 VAL 84 HG12 VAL 84 -4.357 -3.993 2.242 651 3HG1 VAL 84 HG13 VAL 84 -2.621 -3.689 2.328 652 1HG2 VAL 84 HG21 VAL 84 -4.822 -1.947 -0.055 653 2HG2 VAL 84 HG22 VAL 84 -5.161 -0.561 0.981 654 3HG2 VAL 84 HG23 VAL 84 -5.873 -2.132 1.348 655 H THR 85 HN THR 85 -3.888 -2.735 5.467 656 HA THR 85 HA THR 85 -1.032 -2.202 5.870 657 HB THR 85 HB THR 85 -3.017 -3.360 7.838 658 HG1 THR 85 HG1 THR 85 -3.157 -1.006 6.936 659 1HG2 THR 85 HG21 THR 85 -0.275 -2.147 8.229 660 2HG2 THR 85 HG22 THR 85 -0.675 -3.860 8.357 661 3HG2 THR 85 HG23 THR 85 -1.345 -2.709 9.514 662 H ILE 86 HN ILE 86 0.180 -3.714 4.894 663 HA ILE 86 HA ILE 86 -0.738 -6.499 4.874 664 HB ILE 86 HB ILE 86 1.622 -5.300 3.412 665 1HG1 ILE 86 HG12 ILE 86 -1.166 -5.865 2.369 666 2HG1 ILE 86 HG11 ILE 86 -0.527 -4.262 2.719 667 1HG2 ILE 86 HG21 ILE 86 1.457 -7.324 2.031 668 2HG2 ILE 86 HG22 ILE 86 0.149 -7.908 3.057 669 3HG2 ILE 86 HG23 ILE 86 1.767 -7.706 3.725 670 1HD1 ILE 86 HD11 ILE 86 -0.458 -4.745 0.340 671 2HD1 ILE 86 HD12 ILE 86 0.538 -6.169 0.647 672 3HD1 ILE 86 HD13 ILE 86 1.170 -4.559 0.994 673 H ASP 87 HN ASP 87 0.049 -7.888 6.318 674 HA ASP 87 HA ASP 87 2.542 -7.248 7.713 675 1HB ASP 87 HB2 ASP 87 0.552 -7.832 9.078 676 2HB ASP 87 HB1 ASP 87 0.520 -9.419 8.313 677 H MET 88 HN MET 88 4.357 -8.107 6.992 678 HA MET 88 HA MET 88 4.217 -10.356 5.126 679 1HB MET 88 HB2 MET 88 6.517 -8.526 5.825 680 2HB MET 88 HB1 MET 88 6.547 -9.769 4.583 681 1HG MET 88 HG2 MET 88 4.693 -7.407 4.583 682 2HG MET 88 HG1 MET 88 6.229 -7.475 3.722 683 1HE MET 88 HE1 MET 88 5.206 -6.926 1.399 684 2HE MET 88 HE2 MET 88 3.692 -6.657 2.262 685 3HE MET 88 HE3 MET 88 3.713 -7.650 0.802 686 H GLU 89 HN GLU 89 4.231 -10.340 8.270 687 HA GLU 89 HA GLU 89 6.524 -12.088 8.708 688 1HB GLU 89 HB2 GLU 89 4.436 -10.930 10.550 689 2HB GLU 89 HB1 GLU 89 5.569 -12.167 11.080 690 1HG GLU 89 HG2 GLU 89 6.394 -9.522 9.908 691 2HG GLU 89 HG1 GLU 89 6.239 -9.835 11.638 692 H LYS 90 HN LYS 90 3.489 -12.315 7.535 693 HA LYS 90 HA LYS 90 3.550 -15.209 7.846 694 1HB LYS 90 HB2 LYS 90 1.945 -14.256 9.550 695 2HB LYS 90 HB1 LYS 90 0.999 -13.629 8.210 696 1HG LYS 90 HG2 LYS 90 0.677 -15.907 7.368 697 2HG LYS 90 HG1 LYS 90 1.597 -16.533 8.739 698 1HD LYS 90 HD2 LYS 90 -0.056 -15.643 10.281 699 2HD LYS 90 HD1 LYS 90 -0.958 -14.941 8.936 700 1HE LYS 90 HE2 LYS 90 -1.320 -17.196 8.027 701 2HE LYS 90 HE1 LYS 90 -0.451 -17.878 9.400 702 1HZ LYS 90 HZ1 LYS 90 -2.807 -18.013 9.776 703 2HZ LYS 90 HZ2 LYS 90 -2.999 -16.354 9.508 704 3HZ LYS 90 HZ3 LYS 90 -2.141 -16.898 10.866 705 H VAL 91 HN VAL 91 1.486 -12.662 6.474 706 HA VAL 91 HA VAL 91 0.233 -12.623 4.570 707 HB VAL 91 HB VAL 91 1.891 -12.921 2.465 708 1HG1 VAL 91 HG11 VAL 91 1.698 -10.530 4.283 709 2HG1 VAL 91 HG12 VAL 91 0.617 -10.943 2.949 710 3HG1 VAL 91 HG13 VAL 91 2.292 -10.503 2.621 711 1HG2 VAL 91 HG21 VAL 91 3.697 -12.134 4.747 712 2HG2 VAL 91 HG22 VAL 91 4.100 -12.043 3.032 713 3HG2 VAL 91 HG23 VAL 91 3.810 -13.608 3.787 714 H ASP 92 HN ASP 92 0.237 -13.593 2.159 715 HA ASP 92 HA ASP 92 1.049 -16.346 1.973 716 1HB ASP 92 HB2 ASP 92 -1.205 -16.571 3.030 717 2HB ASP 92 HB1 ASP 92 -1.897 -15.723 1.648 718 H PHE 93 HN PHE 93 2.205 -16.016 0.184 719 HA PHE 93 HA PHE 93 1.538 -13.990 -1.700 720 1HB PHE 93 HB2 PHE 93 3.646 -16.151 -1.808 721 2HB PHE 93 HB1 PHE 93 3.521 -14.813 -2.944 722 HD1 PHE 93 HD1 PHE 93 3.665 -12.446 -1.986 723 HD2 PHE 93 HD2 PHE 93 4.877 -15.924 0.144 724 HE1 PHE 93 HE1 PHE 93 5.063 -11.054 -0.516 725 HE2 PHE 93 HE2 PHE 93 6.271 -14.537 1.622 726 HZ PHE 93 HZ PHE 93 6.366 -12.100 1.294 727 H LYS 94 HN LYS 94 0.295 -17.019 -1.329 728 HA LYS 94 HA LYS 94 -0.036 -17.628 -4.146 729 1HB LYS 94 HB2 LYS 94 -1.266 -18.930 -1.705 730 2HB LYS 94 HB1 LYS 94 -1.327 -19.556 -3.348 731 1HG LYS 94 HG2 LYS 94 1.009 -19.983 -3.360 732 2HG LYS 94 HG1 LYS 94 1.237 -19.108 -1.844 733 1HD LYS 94 HD2 LYS 94 -0.102 -20.778 -0.673 734 2HD LYS 94 HD1 LYS 94 -0.360 -21.643 -2.187 735 1HE LYS 94 HE2 LYS 94 1.990 -22.133 -2.365 736 2HE LYS 94 HE1 LYS 94 2.344 -21.132 -0.959 737 1HZ LYS 94 HZ1 LYS 94 2.281 -23.551 -0.494 738 2HZ LYS 94 HZ2 LYS 94 0.625 -23.552 -0.869 739 3HZ LYS 94 HZ3 LYS 94 1.195 -22.649 0.449 740 H ALA 95 HN ALA 95 -2.224 -17.029 -1.390 741 HA ALA 95 HA ALA 95 -4.464 -16.405 -3.048 742 1HB ALA 95 HB1 ALA 95 -4.002 -15.771 -0.135 743 2HB ALA 95 HB2 ALA 95 -4.724 -17.253 -0.766 744 3HB ALA 95 HB3 ALA 95 -5.551 -15.709 -0.979 745 H LEU 96 HN LEU 96 -1.760 -14.641 -1.905 746 HA LEU 96 HA LEU 96 -2.650 -12.013 -1.852 747 1HB LEU 96 HB2 LEU 96 -0.294 -13.097 -1.418 748 2HB LEU 96 HB1 LEU 96 -0.022 -12.711 -3.104 749 HG LEU 96 HG LEU 96 -0.654 -10.306 -2.481 750 1HD1 LEU 96 HD11 LEU 96 -0.128 -11.407 0.267 751 2HD1 LEU 96 HD12 LEU 96 -1.673 -10.800 -0.332 752 3HD1 LEU 96 HD13 LEU 96 -0.304 -9.702 -0.150 753 1HD2 LEU 96 HD21 LEU 96 1.610 -9.826 -1.687 754 2HD2 LEU 96 HD22 LEU 96 1.620 -10.994 -3.010 755 3HD2 LEU 96 HD23 LEU 96 1.851 -11.540 -1.349 756 H GLN 97 HN GLN 97 -1.951 -14.126 -4.525 757 HA GLN 97 HA GLN 97 -1.547 -12.396 -6.632 758 1HB GLN 97 HB2 GLN 97 -1.319 -14.849 -6.740 759 2HB GLN 97 HB1 GLN 97 -3.067 -15.009 -6.665 760 1HG GLN 97 HG2 GLN 97 -2.487 -15.278 -8.919 761 2HG GLN 97 HG1 GLN 97 -3.162 -13.655 -8.785 762 1HE2 GLN 97 HE21 GLN 97 -0.310 -15.546 -9.324 763 2HE2 GLN 97 HE22 GLN 97 0.679 -14.247 -9.921 764 H GLY 98 HN GLY 98 -4.582 -13.303 -5.095 765 1HA GLY 98 HA2 GLY 98 -6.180 -12.210 -7.246 766 2HA GLY 98 HA1 GLY 98 -6.778 -12.927 -5.762 767 H ILE 99 HN ILE 99 -4.609 -10.817 -4.619 768 HA ILE 99 HA ILE 99 -6.397 -8.498 -4.757 769 HB ILE 99 HB ILE 99 -6.024 -8.206 -2.227 770 1HG1 ILE 99 HG12 ILE 99 -6.035 -10.547 -1.100 771 2HG1 ILE 99 HG11 ILE 99 -5.279 -11.096 -2.591 772 1HG2 ILE 99 HG21 ILE 99 -7.873 -10.351 -3.254 773 2HG2 ILE 99 HG22 ILE 99 -8.196 -8.618 -3.208 774 3HG2 ILE 99 HG23 ILE 99 -8.026 -9.523 -1.704 775 1HD1 ILE 99 HD11 ILE 99 -3.624 -10.643 -0.886 776 2HD1 ILE 99 HD12 ILE 99 -4.207 -8.984 -0.736 777 3HD1 ILE 99 HD13 ILE 99 -3.448 -9.521 -2.235 778 H SER 100 HN SER 100 -3.594 -9.183 -5.715 779 HA SER 100 HA SER 100 -1.864 -7.535 -4.124 780 1HB SER 100 HB2 SER 100 -1.444 -8.662 -6.901 781 2HB SER 100 HB1 SER 100 -0.209 -7.861 -5.927 782 HG SER 100 HG SER 100 -1.598 -10.021 -4.811 783 H GLY 101 HN GLY 101 -2.509 -5.442 -4.011 784 1HA GLY 101 HA2 GLY 101 -3.189 -3.878 -6.306 785 2HA GLY 101 HA1 GLY 101 -2.751 -3.256 -4.718 786 H ILE 102 HN ILE 102 -0.296 -5.148 -5.170 787 HA ILE 102 HA ILE 102 1.466 -3.063 -6.107 788 HB ILE 102 HB ILE 102 2.333 -5.888 -5.544 789 1HG1 ILE 102 HG12 ILE 102 1.748 -3.769 -3.466 790 2HG1 ILE 102 HG11 ILE 102 0.828 -5.245 -3.706 791 1HG2 ILE 102 HG21 ILE 102 4.355 -4.756 -4.717 792 2HG2 ILE 102 HG22 ILE 102 3.628 -3.195 -5.105 793 3HG2 ILE 102 HG23 ILE 102 4.001 -4.340 -6.394 794 1HD1 ILE 102 HD11 ILE 102 3.708 -5.091 -2.849 795 2HD1 ILE 102 HD12 ILE 102 2.773 -6.568 -3.082 796 3HD1 ILE 102 HD13 ILE 102 2.326 -5.434 -1.807 797 H ASN 103 HN ASN 103 0.053 -3.358 -8.247 798 HA ASN 103 HA ASN 103 0.875 -5.630 -9.831 799 1HB ASN 103 HB2 ASN 103 -1.460 -4.611 -9.874 800 2HB ASN 103 HB1 ASN 103 -0.761 -3.297 -10.817 801 1HD2 ASN 103 HD21 ASN 103 -2.781 -5.297 -11.543 802 2HD2 ASN 103 HD22 ASN 103 -2.169 -6.103 -12.948 803 H VAL 104 HN VAL 104 3.148 -4.856 -9.531 804 HA VAL 104 HA VAL 104 3.904 -3.178 -11.829 805 HB VAL 104 HB VAL 104 5.674 -4.171 -9.580 806 1HG1 VAL 104 HG11 VAL 104 6.193 -2.144 -11.752 807 2HG1 VAL 104 HG12 VAL 104 6.879 -3.767 -11.660 808 3HG1 VAL 104 HG13 VAL 104 7.301 -2.562 -10.445 809 1HG2 VAL 104 HG21 VAL 104 4.038 -2.584 -8.724 810 2HG2 VAL 104 HG22 VAL 104 4.467 -1.436 -9.993 811 3HG2 VAL 104 HG23 VAL 104 5.646 -1.861 -8.752 812 H SER 105 HN SER 105 4.434 -6.227 -10.192 813 HA SER 105 HA SER 105 4.352 -7.676 -12.633 814 1HB SER 105 HB2 SER 105 6.611 -8.777 -12.283 815 2HB SER 105 HB1 SER 105 6.674 -7.108 -12.843 816 HG SER 105 HG SER 105 7.558 -6.521 -11.016 817 H ALA 106 HN ALA 106 3.204 -9.435 -12.125 818 HA ALA 106 HA ALA 106 2.558 -10.042 -9.435 819 1HB ALA 106 HB1 ALA 106 1.184 -11.770 -10.293 820 2HB ALA 106 HB2 ALA 106 2.113 -11.863 -11.787 821 3HB ALA 106 HB3 ALA 106 1.112 -10.448 -11.459 822 H GLU 107 HN GLU 107 5.133 -10.964 -11.427 823 HA GLU 107 HA GLU 107 5.677 -13.524 -10.274 824 1HB GLU 107 HB2 GLU 107 7.523 -11.724 -11.846 825 2HB GLU 107 HB1 GLU 107 7.707 -13.453 -11.589 826 1HG GLU 107 HG2 GLU 107 5.651 -13.846 -12.871 827 2HG GLU 107 HG1 GLU 107 5.515 -12.110 -13.155 828 H ASP 108 HN ASP 108 6.441 -10.242 -9.442 829 HA ASP 108 HA ASP 108 8.922 -10.755 -8.156 830 1HB ASP 108 HB2 ASP 108 8.037 -8.517 -9.042 831 2HB ASP 108 HB1 ASP 108 7.110 -8.428 -7.547 832 H ALA 109 HN ALA 109 5.585 -10.535 -7.080 833 HA ALA 109 HA ALA 109 6.087 -10.795 -4.314 834 1HB ALA 109 HB1 ALA 109 3.720 -11.376 -4.127 835 2HB ALA 109 HB2 ALA 109 3.626 -11.571 -5.878 836 3HB ALA 109 HB3 ALA 109 3.958 -9.984 -5.184 837 H LYS 110 HN LYS 110 6.383 -13.023 -6.858 838 HA LYS 110 HA LYS 110 5.856 -15.367 -5.219 839 1HB LYS 110 HB2 LYS 110 6.941 -15.222 -8.039 840 2HB LYS 110 HB1 LYS 110 6.322 -16.653 -7.226 841 1HG LYS 110 HG2 LYS 110 4.711 -14.215 -7.956 842 2HG LYS 110 HG1 LYS 110 4.719 -15.748 -8.829 843 1HD LYS 110 HD2 LYS 110 3.835 -16.881 -6.852 844 2HD LYS 110 HD1 LYS 110 3.852 -15.357 -5.963 845 1HE LYS 110 HE2 LYS 110 2.255 -15.886 -8.468 846 2HE LYS 110 HE1 LYS 110 1.612 -15.941 -6.826 847 1HZ LYS 110 HZ1 LYS 110 1.158 -13.829 -7.910 848 2HZ LYS 110 HZ2 LYS 110 2.816 -13.555 -8.128 849 3HZ LYS 110 HZ3 LYS 110 2.161 -13.613 -6.566 850 H LYS 111 HN LYS 111 8.445 -13.308 -5.966 851 HA LYS 111 HA LYS 111 10.578 -15.224 -5.703 852 1HB LYS 111 HB2 LYS 111 10.723 -12.218 -5.413 853 2HB LYS 111 HB1 LYS 111 12.053 -13.310 -5.760 854 1HG LYS 111 HG2 LYS 111 11.245 -13.736 -7.949 855 2HG LYS 111 HG1 LYS 111 9.716 -12.918 -7.609 856 1HD LYS 111 HD2 LYS 111 11.015 -10.819 -7.230 857 2HD LYS 111 HD1 LYS 111 12.455 -11.671 -7.788 858 1HE LYS 111 HE2 LYS 111 11.474 -12.016 -9.954 859 2HE LYS 111 HE1 LYS 111 9.935 -11.349 -9.409 860 1HZ LYS 111 HZ1 LYS 111 12.497 -9.855 -9.613 861 2HZ LYS 111 HZ2 LYS 111 11.020 -9.209 -9.080 862 3HZ LYS 111 HZ3 LYS 111 11.189 -9.736 -10.689 863 H GLY 112 HN GLY 112 8.910 -12.926 -3.657 864 1HA GLY 112 HA2 GLY 112 8.898 -13.482 -1.218 865 2HA GLY 112 HA1 GLY 112 10.641 -13.681 -1.387 866 H ILE 113 HN ILE 113 8.151 -11.508 -0.715 867 HA ILE 113 HA ILE 113 9.369 -9.168 -1.810 868 HB ILE 113 HB ILE 113 7.064 -9.456 0.114 869 1HG1 ILE 113 HG12 ILE 113 6.595 -10.369 -2.098 870 2HG1 ILE 113 HG11 ILE 113 5.704 -8.869 -1.871 871 1HG2 ILE 113 HG21 ILE 113 8.061 -6.994 -1.317 872 2HG2 ILE 113 HG22 ILE 113 8.124 -7.293 0.421 873 3HG2 ILE 113 HG23 ILE 113 6.567 -7.106 -0.384 874 1HD1 ILE 113 HD11 ILE 113 6.644 -9.041 -4.118 875 2HD1 ILE 113 HD12 ILE 113 8.264 -9.165 -3.432 876 3HD1 ILE 113 HD13 ILE 113 7.333 -7.681 -3.231 877 H THR 114 HN THR 114 11.265 -8.616 -1.020 878 HA THR 114 HA THR 114 11.422 -8.020 1.856 879 HB THR 114 HB THR 114 13.907 -8.089 1.560 880 HG1 THR 114 HG1 THR 114 14.666 -9.152 -0.364 881 1HG2 THR 114 HG21 THR 114 12.732 -10.025 2.475 882 2HG2 THR 114 HG22 THR 114 14.092 -10.539 1.475 883 3HG2 THR 114 HG23 THR 114 12.449 -10.637 0.845 884 H MET 115 HN MET 115 13.567 -6.244 1.788 885 HA MET 115 HA MET 115 12.200 -3.929 0.784 886 1HB MET 115 HB2 MET 115 13.556 -3.978 2.913 887 2HB MET 115 HB1 MET 115 15.001 -4.017 1.906 888 1HG MET 115 HG2 MET 115 14.480 -1.756 2.670 889 2HG MET 115 HG1 MET 115 14.399 -1.891 0.912 890 1HE MET 115 HE1 MET 115 11.552 0.676 1.432 891 2HE MET 115 HE2 MET 115 13.000 0.249 0.519 892 3HE MET 115 HE3 MET 115 13.120 0.623 2.238 893 H ALA 116 HN ALA 116 14.978 -5.844 -0.158 894 HA ALA 116 HA ALA 116 16.159 -4.196 -2.049 895 1HB ALA 116 HB1 ALA 116 17.043 -6.218 -3.063 896 2HB ALA 116 HB2 ALA 116 15.847 -7.190 -2.205 897 3HB ALA 116 HB3 ALA 116 17.098 -6.333 -1.303 898 H GLN 117 HN GLN 117 13.484 -6.482 -2.491 899 HA GLN 117 HA GLN 117 13.023 -6.041 -5.222 900 1HB GLN 117 HB2 GLN 117 11.415 -7.072 -2.939 901 2HB GLN 117 HB1 GLN 117 10.545 -6.598 -4.390 902 1HG GLN 117 HG2 GLN 117 11.069 -8.987 -4.354 903 2HG GLN 117 HG1 GLN 117 11.818 -8.160 -5.717 904 1HE2 GLN 117 HE21 GLN 117 12.355 -9.840 -2.730 905 2HE2 GLN 117 HE22 GLN 117 14.071 -9.992 -2.889 906 H MET 118 HN MET 118 11.105 -4.667 -2.549 907 HA MET 118 HA MET 118 9.612 -2.918 -4.027 908 1HB MET 118 HB2 MET 118 10.580 -2.683 -1.187 909 2HB MET 118 HB1 MET 118 9.397 -1.590 -1.894 910 1HG MET 118 HG2 MET 118 9.106 -4.570 -1.627 911 2HG MET 118 HG1 MET 118 8.317 -3.353 -0.623 912 1HE MET 118 HE1 MET 118 6.942 -5.777 -2.367 913 2HE MET 118 HE2 MET 118 5.486 -4.955 -2.935 914 3HE MET 118 HE3 MET 118 6.027 -4.743 -1.270 915 H GLU 119 HN GLU 119 12.815 -2.230 -2.607 916 HA GLU 119 HA GLU 119 12.951 0.481 -3.244 917 1HB GLU 119 HB2 GLU 119 15.050 -1.646 -2.958 918 2HB GLU 119 HB1 GLU 119 15.489 -0.003 -3.407 919 1HG GLU 119 HG2 GLU 119 13.890 -0.649 -0.949 920 2HG GLU 119 HG1 GLU 119 15.652 -0.585 -0.961 921 H LEU 120 HN LEU 120 14.318 -2.212 -5.156 922 HA LEU 120 HA LEU 120 15.012 -0.539 -7.348 923 1HB LEU 120 HB2 LEU 120 14.909 -3.489 -6.878 924 2HB LEU 120 HB1 LEU 120 15.106 -2.899 -8.513 925 HG LEU 120 HG LEU 120 17.147 -1.664 -7.763 926 1HD1 LEU 120 HD11 LEU 120 18.175 -2.267 -5.643 927 2HD1 LEU 120 HD12 LEU 120 16.766 -3.241 -5.224 928 3HD1 LEU 120 HD13 LEU 120 16.611 -1.491 -5.388 929 1HD2 LEU 120 HD21 LEU 120 17.300 -3.830 -8.870 930 2HD2 LEU 120 HD22 LEU 120 17.160 -4.645 -7.313 931 3HD2 LEU 120 HD23 LEU 120 18.569 -3.643 -7.660 932 H VAL 121 HN VAL 121 12.246 -2.465 -6.553 933 HA VAL 121 HA VAL 121 11.126 -2.571 -9.167 934 HB VAL 121 HB VAL 121 10.265 -3.389 -6.426 935 1HG1 VAL 121 HG11 VAL 121 8.434 -3.434 -8.814 936 2HG1 VAL 121 HG12 VAL 121 8.230 -2.446 -7.364 937 3HG1 VAL 121 HG13 VAL 121 8.141 -4.203 -7.252 938 1HG2 VAL 121 HG21 VAL 121 10.093 -5.577 -7.527 939 2HG2 VAL 121 HG22 VAL 121 11.695 -4.855 -7.699 940 3HG2 VAL 121 HG23 VAL 121 10.565 -4.824 -9.053 941 H MET 122 HN MET 122 10.430 -0.611 -6.270 942 HA MET 122 HA MET 122 8.260 0.762 -7.510 943 1HB MET 122 HB2 MET 122 9.730 0.958 -4.951 944 2HB MET 122 HB1 MET 122 8.945 2.435 -5.507 945 1HG MET 122 HG2 MET 122 7.590 0.954 -3.985 946 2HG MET 122 HG1 MET 122 6.818 1.438 -5.493 947 1HE MET 122 HE1 MET 122 5.285 -2.087 -5.198 948 2HE MET 122 HE2 MET 122 5.000 -0.390 -5.589 949 3HE MET 122 HE3 MET 122 5.487 -0.849 -3.958 950 H LYS 123 HN LYS 123 11.714 1.356 -7.276 951 HA LYS 123 HA LYS 123 11.517 3.959 -8.482 952 1HB LYS 123 HB2 LYS 123 13.902 2.135 -8.118 953 2HB LYS 123 HB1 LYS 123 13.986 3.796 -8.699 954 1HG LYS 123 HG2 LYS 123 12.969 4.542 -6.569 955 2HG LYS 123 HG1 LYS 123 13.042 2.877 -5.994 956 1HD LYS 123 HD2 LYS 123 15.496 2.916 -6.305 957 2HD LYS 123 HD1 LYS 123 15.380 4.616 -6.774 958 1HE LYS 123 HE2 LYS 123 14.600 3.424 -4.114 959 2HE LYS 123 HE1 LYS 123 16.001 4.445 -4.437 960 1HZ LYS 123 HZ1 LYS 123 14.002 5.576 -3.429 961 2HZ LYS 123 HZ2 LYS 123 13.229 5.361 -4.916 962 3HZ LYS 123 HZ3 LYS 123 14.632 6.302 -4.828 963 H ALA 124 HN ALA 124 11.466 0.740 -9.599 964 HA ALA 124 HA ALA 124 12.183 1.307 -12.323 965 1HB ALA 124 HB1 ALA 124 12.460 -0.939 -11.525 966 2HB ALA 124 HB2 ALA 124 11.191 -0.956 -12.749 967 3HB ALA 124 HB3 ALA 124 10.767 -1.028 -11.041 968 H ALA 125 HN ALA 125 9.303 1.426 -10.378 969 HA ALA 125 HA ALA 125 7.542 1.802 -12.647 970 1HB ALA 125 HB1 ALA 125 6.997 2.115 -9.696 971 2HB ALA 125 HB2 ALA 125 6.736 0.648 -10.641 972 3HB ALA 125 HB3 ALA 125 5.788 2.098 -10.980 973 H GLY 126 HN GLY 126 9.508 3.715 -10.599 974 1HA GLY 126 HA2 GLY 126 10.105 5.939 -11.150 975 2HA GLY 126 HA1 GLY 126 8.569 6.117 -11.984 976 H PHE 127 HN PHE 127 8.757 4.743 -8.782 977 HA PHE 127 HA PHE 127 7.085 6.899 -7.790 978 1HB PHE 127 HB2 PHE 127 8.050 4.357 -6.456 979 2HB PHE 127 HB1 PHE 127 6.909 5.498 -5.752 980 HD1 PHE 127 HD1 PHE 127 5.353 6.085 -8.294 981 HD2 PHE 127 HD2 PHE 127 6.674 2.448 -6.528 982 HE1 PHE 127 HE1 PHE 127 3.477 4.897 -9.351 983 HE2 PHE 127 HE2 PHE 127 4.803 1.251 -7.585 984 HZ PHE 127 HZ PHE 127 3.201 2.476 -8.999 985 H LYS 128 HN LYS 128 7.577 8.163 -5.957 986 HA LYS 128 HA LYS 128 10.462 8.432 -5.443 987 1HB LYS 128 HB2 LYS 128 9.670 10.275 -6.826 988 2HB LYS 128 HB1 LYS 128 8.373 10.605 -5.686 989 1HG LYS 128 HG2 LYS 128 10.127 11.094 -3.968 990 2HG LYS 128 HG1 LYS 128 11.327 10.978 -5.258 991 1HD LYS 128 HD2 LYS 128 10.760 13.292 -4.935 992 2HD LYS 128 HD1 LYS 128 10.098 12.759 -6.483 993 1HE LYS 128 HE2 LYS 128 8.439 14.078 -5.366 994 2HE LYS 128 HE1 LYS 128 7.914 12.397 -5.351 995 1HZ LYS 128 HZ1 LYS 128 9.033 13.975 -3.107 996 2HZ LYS 128 HZ2 LYS 128 8.917 12.286 -3.051 997 3HZ LYS 128 HZ3 LYS 128 7.516 13.225 -3.204 998 H GLU 129 HN GLU 129 11.117 8.769 -3.369 999 HA GLU 129 HA GLU 129 9.497 7.961 -1.242 1000 1HB GLU 129 HB2 GLU 129 12.148 9.361 -1.385 1001 2HB GLU 129 HB1 GLU 129 11.351 9.135 0.163 1002 1HG GLU 129 HG2 GLU 129 12.784 7.335 0.028 1003 2HG GLU 129 HG1 GLU 129 11.239 6.659 -0.481 1004 H VAL 130 HN VAL 130 8.901 9.087 0.615 1005 HA VAL 130 HA VAL 130 8.474 11.977 0.417 1006 HB VAL 130 HB VAL 130 6.345 9.892 0.962 1007 1HG1 VAL 130 HG11 VAL 130 6.196 12.853 1.501 1008 2HG1 VAL 130 HG12 VAL 130 6.164 11.561 2.705 1009 3HG1 VAL 130 HG13 VAL 130 4.838 11.729 1.557 1010 1HG2 VAL 130 HG21 VAL 130 5.118 11.125 -0.766 1011 2HG2 VAL 130 HG22 VAL 130 6.639 10.466 -1.360 1012 3HG2 VAL 130 HG23 VAL 130 6.510 12.184 -0.982 1013 H LYS 131 HN LYS 131 8.337 9.040 2.322 1014 HA LYS 131 HA LYS 131 8.672 8.498 4.456 1015 1HB LYS 131 HB2 LYS 131 10.548 10.777 4.130 1016 2HB LYS 131 HB1 LYS 131 10.224 10.209 5.765 1017 1HG LYS 131 HG2 LYS 131 10.715 7.863 4.781 1018 2HG LYS 131 HG1 LYS 131 11.495 8.763 3.481 1019 1HD LYS 131 HD2 LYS 131 13.054 9.740 4.969 1020 2HD LYS 131 HD1 LYS 131 12.139 9.217 6.385 1021 1HE LYS 131 HE2 LYS 131 12.610 6.860 5.749 1022 2HE LYS 131 HE1 LYS 131 13.627 7.455 4.439 1023 1HZ LYS 131 HZ1 LYS 131 15.087 8.474 6.023 1024 2HZ LYS 131 HZ2 LYS 131 14.881 6.842 6.453 1025 3HZ LYS 131 HZ3 LYS 131 14.069 8.052 7.316 1026 H LEU 132 HN LEU 132 8.771 9.711 6.823 1027 HA LEU 132 HA LEU 132 6.107 10.934 6.877 1028 1HB LEU 132 HB2 LEU 132 7.340 9.444 9.180 1029 2HB LEU 132 HB1 LEU 132 5.650 9.824 8.902 1030 HG LEU 132 HG LEU 132 5.928 8.260 6.817 1031 1HD1 LEU 132 HD11 LEU 132 8.148 7.290 8.611 1032 2HD1 LEU 132 HD12 LEU 132 8.325 7.944 6.981 1033 3HD1 LEU 132 HD13 LEU 132 7.489 6.412 7.231 1034 1HD2 LEU 132 HD21 LEU 132 5.777 7.207 9.634 1035 2HD2 LEU 132 HD22 LEU 132 5.274 6.341 8.180 1036 3HD2 LEU 132 HD23 LEU 132 4.432 7.813 8.666 1037 H GLU 133 HN GLU 133 6.770 13.008 6.736 1038 HA GLU 133 HA GLU 133 8.740 14.070 8.584 1039 1HB GLU 133 HB2 GLU 133 8.762 14.844 6.271 1040 2HB GLU 133 HB1 GLU 133 7.089 15.369 6.406 1041 1HG GLU 133 HG2 GLU 133 7.800 17.001 8.132 1042 2HG GLU 133 HG1 GLU 133 9.472 16.531 7.827 1043 H HIS 134 HN HIS 134 5.341 13.759 8.286 1044 HA HIS 134 HA HIS 134 4.761 15.969 10.065 1045 1HB HIS 134 HB2 HIS 134 2.991 13.974 8.653 1046 2HB HIS 134 HB1 HIS 134 2.369 15.169 9.789 1047 HD1 HIS 134 HD1 HIS 134 1.551 17.227 8.683 1048 HD2 HIS 134 HD2 HIS 134 4.602 15.406 6.516 1049 HE1 HIS 134 HE1 HIS 134 1.874 18.646 6.632 1050 HE2 HIS 134 HE2 HIS 134 3.904 17.679 5.496 1051 H HIS 135 HN HIS 135 5.906 15.273 11.850 1052 HA HIS 135 HA HIS 135 6.030 14.542 13.974 1053 1HB HIS 135 HB2 HIS 135 3.192 13.817 13.371 1054 2HB HIS 135 HB1 HIS 135 3.935 13.264 14.869 1055 HD1 HIS 135 HD1 HIS 135 4.414 14.995 16.667 1056 HD2 HIS 135 HD2 HIS 135 2.768 16.607 13.208 1057 HE1 HIS 135 HE1 HIS 135 3.754 17.350 17.266 1058 HE2 HIS 135 HE2 HIS 135 2.950 18.364 15.103 1059 H HIS 136 HN HIS 136 6.146 12.593 15.339 1060 HA HIS 136 HA HIS 136 7.142 10.356 13.773 1061 1HB HIS 136 HB2 HIS 136 7.336 11.199 16.638 1062 2HB HIS 136 HB1 HIS 136 7.591 9.505 16.236 1063 HD1 HIS 136 HD1 HIS 136 10.046 9.246 16.469 1064 HD2 HIS 136 HD2 HIS 136 9.024 12.596 14.230 1065 HE1 HIS 136 HE1 HIS 136 12.217 10.164 15.591 1066 HE2 HIS 136 HE2 HIS 136 11.540 12.019 14.029 1067 H HIS 137 HN HIS 137 6.448 8.126 14.274 1068 HA HIS 137 HA HIS 137 3.668 8.037 15.202 1069 1HB HIS 137 HB2 HIS 137 4.616 7.021 12.517 1070 2HB HIS 137 HB1 HIS 137 3.060 6.604 13.226 1071 HD1 HIS 137 HD1 HIS 137 1.184 8.327 13.030 1072 HD2 HIS 137 HD2 HIS 137 4.863 9.733 11.700 1073 HE1 HIS 137 HE1 HIS 137 0.710 10.547 11.944 1074 HE2 HIS 137 HE2 HIS 137 2.982 11.471 11.353 1075 H HIS 138 HN HIS 138 5.577 5.544 13.521 1076 HA HIS 138 HA HIS 138 4.971 3.606 15.529 1077 1HB HIS 138 HB2 HIS 138 7.041 3.513 13.318 1078 2HB HIS 138 HB1 HIS 138 6.566 2.143 14.314 1079 HD1 HIS 138 HD1 HIS 138 6.079 3.248 11.079 1080 HD2 HIS 138 HD2 HIS 138 3.448 1.971 14.033 1081 HE1 HIS 138 HE1 HIS 138 3.982 2.575 9.869 1082 HE2 HIS 138 HE2 HIS 138 2.471 1.643 11.654 1083 H HIS 139 HN HIS 139 7.596 5.744 14.864 1084 HA HIS 139 HA HIS 139 8.670 5.359 17.523 1085 1HB HIS 139 HB2 HIS 139 10.211 4.849 14.986 1086 2HB HIS 139 HB1 HIS 139 11.032 5.453 16.419 1087 HD1 HIS 139 HD1 HIS 139 9.882 2.360 14.836 1088 HD2 HIS 139 HD2 HIS 139 10.788 3.642 18.696 1089 HE1 HIS 139 HE1 HIS 139 10.237 0.271 16.190 1090 HE2 HIS 139 HE2 HIS 139 10.911 1.068 18.483 Start of MODEL 4 1 1H MET 1 HT1 MET 1 11.008 -0.872 18.840 2 2H MET 1 HT2 MET 1 9.640 0.131 18.781 3 3H MET 1 HT3 MET 1 10.096 -0.596 20.246 4 HA MET 1 HA MET 1 11.572 1.490 18.755 5 1HB MET 1 HB2 MET 1 10.123 1.491 21.405 6 2HB MET 1 HB1 MET 1 11.239 2.759 20.913 7 1HG MET 1 HG2 MET 1 8.698 1.980 19.498 8 2HG MET 1 HG1 MET 1 8.944 3.415 20.492 9 1HE MET 1 HE1 MET 1 8.681 4.831 16.818 10 2HE MET 1 HE2 MET 1 8.012 4.906 18.448 11 3HE MET 1 HE3 MET 1 7.815 3.445 17.479 12 H GLY 2 HN GLY 2 13.646 1.930 19.385 13 1HA GLY 2 HA2 GLY 2 15.660 1.494 20.569 14 2HA GLY 2 HA1 GLY 2 14.889 0.089 21.307 15 H ASP 3 HN ASP 3 13.833 -1.192 19.207 16 HA ASP 3 HA ASP 3 16.026 -2.264 17.717 17 1HB ASP 3 HB2 ASP 3 14.276 -3.613 16.593 18 2HB ASP 3 HB1 ASP 3 14.131 -3.688 18.345 19 H LYS 4 HN LYS 4 16.176 -2.175 15.362 20 HA LYS 4 HA LYS 4 15.694 0.561 14.548 21 1HB LYS 4 HB2 LYS 4 17.333 -1.627 13.272 22 2HB LYS 4 HB1 LYS 4 17.185 0.004 12.629 23 1HG LYS 4 HG2 LYS 4 18.094 0.861 14.784 24 2HG LYS 4 HG1 LYS 4 18.390 -0.811 15.261 25 1HD LYS 4 HD2 LYS 4 19.891 -1.119 13.393 26 2HD LYS 4 HD1 LYS 4 19.527 0.502 12.796 27 1HE LYS 4 HE2 LYS 4 20.434 1.436 14.895 28 2HE LYS 4 HE1 LYS 4 20.881 -0.193 15.397 29 1HZ LYS 4 HZ1 LYS 4 22.386 -0.361 13.561 30 2HZ LYS 4 HZ2 LYS 4 22.723 1.077 14.399 31 3HZ LYS 4 HZ3 LYS 4 21.875 1.130 12.935 32 H GLU 5 HN GLU 5 13.451 0.435 14.240 33 HA GLU 5 HA GLU 5 12.462 -1.025 11.940 34 1HB GLU 5 HB2 GLU 5 11.211 0.983 13.818 35 2HB GLU 5 HB1 GLU 5 10.363 0.319 12.427 36 1HG GLU 5 HG2 GLU 5 11.585 -1.503 14.446 37 2HG GLU 5 HG1 GLU 5 10.034 -0.735 14.762 38 H GLU 6 HN GLU 6 12.984 -0.318 9.978 39 HA GLU 6 HA GLU 6 13.564 2.536 9.638 40 1HB GLU 6 HB2 GLU 6 14.132 0.261 7.733 41 2HB GLU 6 HB1 GLU 6 14.758 1.903 7.639 42 1HG GLU 6 HG2 GLU 6 15.949 1.543 9.761 43 2HG GLU 6 HG1 GLU 6 15.365 -0.119 9.781 44 H SER 7 HN SER 7 12.238 3.836 8.571 45 HA SER 7 HA SER 7 9.825 2.651 7.425 46 1HB SER 7 HB2 SER 7 8.998 5.077 7.701 47 2HB SER 7 HB1 SER 7 9.275 4.135 9.167 48 HG SER 7 HG SER 7 10.683 6.322 8.151 49 H LYS 8 HN LYS 8 9.221 2.948 5.364 50 HA LYS 8 HA LYS 8 10.481 5.092 3.803 51 1HB LYS 8 HB2 LYS 8 10.379 2.187 3.176 52 2HB LYS 8 HB1 LYS 8 10.123 3.308 1.850 53 1HG LYS 8 HG2 LYS 8 12.543 3.150 3.631 54 2HG LYS 8 HG1 LYS 8 12.435 2.654 1.941 55 1HD LYS 8 HD2 LYS 8 11.753 5.090 1.489 56 2HD LYS 8 HD1 LYS 8 12.390 5.419 3.103 57 1HE LYS 8 HE2 LYS 8 14.171 5.846 1.614 58 2HE LYS 8 HE1 LYS 8 14.521 4.278 2.340 59 1HZ LYS 8 HZ1 LYS 8 13.511 3.251 0.330 60 2HZ LYS 8 HZ2 LYS 8 14.923 4.126 0.012 61 3HZ LYS 8 HZ3 LYS 8 13.408 4.793 -0.369 62 H LYS 9 HN LYS 9 8.877 6.433 3.344 63 HA LYS 9 HA LYS 9 6.217 5.337 2.726 64 1HB LYS 9 HB2 LYS 9 6.304 6.849 4.674 65 2HB LYS 9 HB1 LYS 9 7.006 8.104 3.666 66 1HG LYS 9 HG2 LYS 9 4.875 7.942 2.268 67 2HG LYS 9 HG1 LYS 9 4.208 7.022 3.621 68 1HD LYS 9 HD2 LYS 9 4.791 8.911 5.120 69 2HD LYS 9 HD1 LYS 9 5.314 9.826 3.712 70 1HE LYS 9 HE2 LYS 9 3.161 10.596 4.049 71 2HE LYS 9 HE1 LYS 9 2.941 9.358 2.815 72 1HZ LYS 9 HZ1 LYS 9 2.563 8.870 5.717 73 2HZ LYS 9 HZ2 LYS 9 2.131 7.839 4.439 74 3HZ LYS 9 HZ3 LYS 9 1.306 9.302 4.670 75 H PHE 10 HN PHE 10 5.865 5.253 0.587 76 HA PHE 10 HA PHE 10 6.733 7.578 -1.001 77 1HB PHE 10 HB2 PHE 10 7.060 6.238 -2.892 78 2HB PHE 10 HB1 PHE 10 7.667 5.224 -1.596 79 HD1 PHE 10 HD1 PHE 10 4.768 5.786 -3.828 80 HD2 PHE 10 HD2 PHE 10 6.754 3.094 -1.207 81 HE1 PHE 10 HE1 PHE 10 3.295 3.974 -4.588 82 HE2 PHE 10 HE2 PHE 10 5.281 1.272 -1.961 83 HZ PHE 10 HZ PHE 10 3.549 1.714 -3.655 84 H SER 11 HN SER 11 5.170 8.072 -2.844 85 HA SER 11 HA SER 11 2.498 7.062 -2.512 86 1HB SER 11 HB2 SER 11 2.568 8.790 -0.749 87 2HB SER 11 HB1 SER 11 3.003 9.992 -1.951 88 HG SER 11 HG SER 11 0.627 8.448 -2.028 89 H ALA 12 HN ALA 12 1.799 6.757 -4.466 90 HA ALA 12 HA ALA 12 2.687 8.571 -6.606 91 1HB ALA 12 HB1 ALA 12 3.336 6.248 -6.951 92 2HB ALA 12 HB2 ALA 12 2.147 6.744 -8.155 93 3HB ALA 12 HB3 ALA 12 1.654 5.741 -6.792 94 H ASN 13 HN ASN 13 1.233 10.083 -6.981 95 HA ASN 13 HA ASN 13 -1.594 9.591 -6.509 96 1HB ASN 13 HB2 ASN 13 -0.261 12.126 -7.495 97 2HB ASN 13 HB1 ASN 13 -1.883 11.974 -6.828 98 1HD2 ASN 13 HD21 ASN 13 -2.155 11.870 -4.615 99 2HD2 ASN 13 HD22 ASN 13 -0.861 12.131 -3.494 100 H LEU 14 HN LEU 14 -2.164 8.188 -8.175 101 HA LEU 14 HA LEU 14 -2.072 9.343 -10.871 102 1HB LEU 14 HB2 LEU 14 -1.553 7.029 -11.744 103 2HB LEU 14 HB1 LEU 14 -0.242 7.864 -10.940 104 HG LEU 14 HG LEU 14 -0.969 6.493 -8.852 105 1HD1 LEU 14 HD11 LEU 14 -3.035 5.605 -9.761 106 2HD1 LEU 14 HD12 LEU 14 -1.905 4.305 -9.382 107 3HD1 LEU 14 HD13 LEU 14 -2.141 4.810 -11.056 108 1HD2 LEU 14 HD21 LEU 14 0.498 4.658 -9.543 109 2HD2 LEU 14 HD22 LEU 14 1.156 6.234 -9.977 110 3HD2 LEU 14 HD23 LEU 14 0.408 5.223 -11.213 111 H ASN 15 HN ASN 15 -3.775 8.840 -12.210 112 HA ASN 15 HA ASN 15 -5.746 7.981 -12.948 113 1HB ASN 15 HB2 ASN 15 -4.985 5.765 -12.503 114 2HB ASN 15 HB1 ASN 15 -5.222 5.955 -10.771 115 1HD2 ASN 15 HD21 ASN 15 -7.207 5.614 -9.899 116 2HD2 ASN 15 HD22 ASN 15 -8.564 5.020 -10.790 117 H GLY 16 HN GLY 16 -5.339 9.240 -9.865 118 1HA GLY 16 HA2 GLY 16 -7.050 10.663 -8.893 119 2HA GLY 16 HA1 GLY 16 -8.251 9.513 -9.477 120 H THR 17 HN THR 17 -5.612 7.846 -8.457 121 HA THR 17 HA THR 17 -6.717 7.477 -5.759 122 HB THR 17 HB THR 17 -5.495 5.201 -5.955 123 HG1 THR 17 HG1 THR 17 -4.628 6.060 -8.142 124 1HG2 THR 17 HG21 THR 17 -7.960 5.739 -7.612 125 2HG2 THR 17 HG22 THR 17 -7.929 5.430 -5.878 126 3HG2 THR 17 HG23 THR 17 -7.447 4.165 -7.007 127 H GLU 18 HN GLU 18 -5.449 8.186 -4.178 128 HA GLU 18 HA GLU 18 -2.631 8.705 -4.703 129 1HB GLU 18 HB2 GLU 18 -4.017 9.103 -2.058 130 2HB GLU 18 HB1 GLU 18 -2.578 9.908 -2.666 131 1HG GLU 18 HG2 GLU 18 -4.171 10.857 -4.467 132 2HG GLU 18 HG1 GLU 18 -5.443 10.378 -3.339 133 H ILE 19 HN ILE 19 -1.560 6.786 -4.749 134 HA ILE 19 HA ILE 19 -2.041 4.866 -2.608 135 HB ILE 19 HB ILE 19 -0.202 4.653 -4.996 136 1HG1 ILE 19 HG12 ILE 19 -2.951 3.494 -4.494 137 2HG1 ILE 19 HG11 ILE 19 -2.568 4.782 -5.631 138 1HG2 ILE 19 HG21 ILE 19 -0.121 2.263 -4.446 139 2HG2 ILE 19 HG22 ILE 19 -1.094 2.565 -3.006 140 3HG2 ILE 19 HG23 ILE 19 0.527 3.252 -3.135 141 1HD1 ILE 19 HD11 ILE 19 -1.492 1.984 -5.798 142 2HD1 ILE 19 HD12 ILE 19 -1.296 3.273 -6.990 143 3HD1 ILE 19 HD13 ILE 19 -2.893 2.581 -6.686 144 H ALA 20 HN ALA 20 -1.190 5.870 -0.826 145 HA ALA 20 HA ALA 20 1.704 6.372 -0.872 146 1HB ALA 20 HB1 ALA 20 0.934 7.178 1.599 147 2HB ALA 20 HB2 ALA 20 -0.511 7.538 0.654 148 3HB ALA 20 HB3 ALA 20 1.034 8.230 0.190 149 H ILE 21 HN ILE 21 2.918 4.801 -0.234 150 HA ILE 21 HA ILE 21 1.850 2.823 1.663 151 HB ILE 21 HB ILE 21 3.711 2.409 -0.678 152 1HG1 ILE 21 HG12 ILE 21 0.979 1.299 -0.005 153 2HG1 ILE 21 HG11 ILE 21 1.358 2.447 -1.286 154 1HG2 ILE 21 HG21 ILE 21 2.943 0.453 1.480 155 2HG2 ILE 21 HG22 ILE 21 4.545 1.139 1.206 156 3HG2 ILE 21 HG23 ILE 21 3.831 0.060 0.008 157 1HD1 ILE 21 HD11 ILE 21 2.252 -0.424 -1.134 158 2HD1 ILE 21 HD12 ILE 21 2.714 0.718 -2.393 159 3HD1 ILE 21 HD13 ILE 21 1.025 0.247 -2.208 160 H THR 22 HN THR 22 2.906 2.675 3.494 161 HA THR 22 HA THR 22 5.697 3.600 3.617 162 HB THR 22 HB THR 22 3.814 3.434 5.973 163 HG1 THR 22 HG1 THR 22 3.608 5.084 3.927 164 1HG2 THR 22 HG21 THR 22 6.217 3.539 6.477 165 2HG2 THR 22 HG22 THR 22 5.396 5.021 6.971 166 3HG2 THR 22 HG23 THR 22 6.359 4.996 5.494 167 H TYR 23 HN TYR 23 6.734 1.674 3.246 168 HA TYR 23 HA TYR 23 5.933 -0.644 4.812 169 1HB TYR 23 HB2 TYR 23 7.748 -1.819 3.454 170 2HB TYR 23 HB1 TYR 23 6.315 -1.285 2.589 171 HD1 TYR 23 HD1 TYR 23 6.445 0.658 1.062 172 HD2 TYR 23 HD2 TYR 23 9.907 -0.941 2.944 173 HE1 TYR 23 HE1 TYR 23 7.866 1.841 -0.565 174 HE2 TYR 23 HE2 TYR 23 11.340 0.243 1.334 175 HH TYR 23 HH TYR 23 11.248 1.244 -0.852 176 H VAL 24 HN VAL 24 6.950 -1.382 6.502 177 HA VAL 24 HA VAL 24 9.336 0.072 7.402 178 HB VAL 24 HB VAL 24 7.354 -1.575 8.991 179 1HG1 VAL 24 HG11 VAL 24 9.586 -1.780 9.936 180 2HG1 VAL 24 HG12 VAL 24 8.576 -0.768 10.967 181 3HG1 VAL 24 HG13 VAL 24 9.775 -0.027 9.909 182 1HG2 VAL 24 HG21 VAL 24 7.893 1.393 8.958 183 2HG2 VAL 24 HG22 VAL 24 6.746 0.561 10.009 184 3HG2 VAL 24 HG23 VAL 24 6.483 0.592 8.265 185 H TYR 25 HN TYR 25 11.209 -0.929 7.529 186 HA TYR 25 HA TYR 25 11.262 -3.852 7.329 187 1HB TYR 25 HB2 TYR 25 13.138 -3.622 5.679 188 2HB TYR 25 HB1 TYR 25 11.578 -3.077 5.072 189 HD1 TYR 25 HD1 TYR 25 11.126 -0.657 4.807 190 HD2 TYR 25 HD2 TYR 25 14.973 -2.091 5.932 191 HE1 TYR 25 HE1 TYR 25 12.096 1.520 4.246 192 HE2 TYR 25 HE2 TYR 25 15.954 0.094 5.368 193 HH TYR 25 HH TYR 25 15.485 2.038 4.028 194 H LYS 26 HN LYS 26 13.171 -4.826 8.068 195 HA LYS 26 HA LYS 26 14.971 -3.068 9.604 196 1HB LYS 26 HB2 LYS 26 14.055 -5.883 10.177 197 2HB LYS 26 HB1 LYS 26 15.493 -5.207 10.914 198 1HG LYS 26 HG2 LYS 26 14.018 -3.375 11.831 199 2HG LYS 26 HG1 LYS 26 12.641 -4.341 11.288 200 1HD LYS 26 HD2 LYS 26 13.366 -6.207 12.653 201 2HD LYS 26 HD1 LYS 26 14.812 -5.323 13.139 202 1HE LYS 26 HE2 LYS 26 13.290 -5.154 14.934 203 2HE LYS 26 HE1 LYS 26 13.280 -3.589 14.124 204 1HZ LYS 26 HZ1 LYS 26 11.276 -5.704 13.602 205 2HZ LYS 26 HZ2 LYS 26 11.221 -4.082 13.100 206 3HZ LYS 26 HZ3 LYS 26 11.061 -4.477 14.743 207 H GLY 27 HN GLY 27 16.584 -2.744 8.143 208 1HA GLY 27 HA2 GLY 27 18.502 -3.302 6.976 209 2HA GLY 27 HA1 GLY 27 18.269 -4.977 7.459 210 H ASP 28 HN ASP 28 17.873 -6.331 5.848 211 HA ASP 28 HA ASP 28 16.758 -5.280 3.349 212 1HB ASP 28 HB2 ASP 28 18.887 -6.580 3.243 213 2HB ASP 28 HB1 ASP 28 18.030 -7.981 3.873 214 H LYS 29 HN LYS 29 15.655 -6.586 6.132 215 HA LYS 29 HA LYS 29 13.687 -8.346 4.864 216 1HB LYS 29 HB2 LYS 29 15.071 -8.876 7.052 217 2HB LYS 29 HB1 LYS 29 13.825 -7.913 7.820 218 1HG LYS 29 HG2 LYS 29 12.108 -9.396 7.019 219 2HG LYS 29 HG1 LYS 29 13.298 -10.329 6.110 220 1HD LYS 29 HD2 LYS 29 14.432 -10.865 8.255 221 2HD LYS 29 HD1 LYS 29 13.124 -10.043 9.108 222 1HE LYS 29 HE2 LYS 29 12.807 -12.481 9.049 223 2HE LYS 29 HE1 LYS 29 11.513 -11.620 8.217 224 1HZ LYS 29 HZ1 LYS 29 12.407 -12.200 6.123 225 2HZ LYS 29 HZ2 LYS 29 12.411 -13.631 7.041 226 3HZ LYS 29 HZ3 LYS 29 13.854 -12.768 6.806 227 H VAL 30 HN VAL 30 12.109 -7.045 4.008 228 HA VAL 30 HA VAL 30 10.953 -4.897 5.544 229 HB VAL 30 HB VAL 30 9.713 -6.224 3.126 230 1HG1 VAL 30 HG11 VAL 30 9.471 -3.433 4.244 231 2HG1 VAL 30 HG12 VAL 30 8.264 -4.712 4.393 232 3HG1 VAL 30 HG13 VAL 30 8.655 -4.048 2.806 233 1HG2 VAL 30 HG21 VAL 30 11.722 -3.972 3.181 234 2HG2 VAL 30 HG22 VAL 30 10.836 -4.519 1.759 235 3HG2 VAL 30 HG23 VAL 30 11.992 -5.596 2.544 236 H LEU 31 HN LEU 31 9.540 -5.193 7.154 237 HA LEU 31 HA LEU 31 8.663 -7.943 7.591 238 1HB LEU 31 HB2 LEU 31 8.846 -5.614 9.499 239 2HB LEU 31 HB1 LEU 31 8.395 -7.253 9.939 240 HG LEU 31 HG LEU 31 11.061 -6.467 8.756 241 1HD1 LEU 31 HD11 LEU 31 10.361 -7.177 11.599 242 2HD1 LEU 31 HD12 LEU 31 10.774 -5.567 11.006 243 3HD1 LEU 31 HD13 LEU 31 11.976 -6.860 10.961 244 1HD2 LEU 31 HD21 LEU 31 10.087 -9.070 9.919 245 2HD2 LEU 31 HD22 LEU 31 11.739 -8.724 9.404 246 3HD2 LEU 31 HD23 LEU 31 10.431 -8.742 8.221 247 H LYS 32 HN LYS 32 7.356 -4.704 7.241 248 HA LYS 32 HA LYS 32 4.824 -5.848 6.565 249 1HB LYS 32 HB2 LYS 32 3.528 -4.494 8.250 250 2HB LYS 32 HB1 LYS 32 4.380 -5.894 8.878 251 1HG LYS 32 HG2 LYS 32 6.171 -4.415 9.684 252 2HG LYS 32 HG1 LYS 32 5.243 -3.020 9.117 253 1HD LYS 32 HD2 LYS 32 4.895 -3.399 11.511 254 2HD LYS 32 HD1 LYS 32 3.400 -3.645 10.603 255 1HE LYS 32 HE2 LYS 32 4.001 -6.106 10.560 256 2HE LYS 32 HE1 LYS 32 5.248 -5.728 11.744 257 1HZ LYS 32 HZ1 LYS 32 3.538 -4.908 13.235 258 2HZ LYS 32 HZ2 LYS 32 3.226 -6.517 12.791 259 3HZ LYS 32 HZ3 LYS 32 2.334 -5.256 12.086 260 H GLN 33 HN GLN 33 3.200 -4.106 6.028 261 HA GLN 33 HA GLN 33 4.508 -1.727 4.966 262 1HB GLN 33 HB2 GLN 33 4.783 -3.632 3.350 263 2HB GLN 33 HB1 GLN 33 3.033 -3.688 3.211 264 1HG GLN 33 HG2 GLN 33 3.036 -1.395 2.363 265 2HG GLN 33 HG1 GLN 33 4.796 -1.371 2.478 266 1HE2 GLN 33 HE21 GLN 33 2.056 -2.530 0.719 267 2HE2 GLN 33 HE22 GLN 33 2.940 -3.192 -0.614 268 H SER 34 HN SER 34 3.203 -0.154 5.686 269 HA SER 34 HA SER 34 0.333 -0.530 5.809 270 1HB SER 34 HB2 SER 34 1.983 1.950 6.375 271 2HB SER 34 HB1 SER 34 0.288 1.707 6.795 272 HG SER 34 HG SER 34 1.174 1.065 8.620 273 H SER 35 HN SER 35 -0.610 -0.565 3.845 274 HA SER 35 HA SER 35 0.270 1.402 1.831 275 1HB SER 35 HB2 SER 35 -1.246 -1.153 1.287 276 2HB SER 35 HB1 SER 35 -0.302 -0.179 0.155 277 HG SER 35 HG SER 35 0.854 -1.433 2.414 278 H GLU 36 HN GLU 36 -1.121 3.118 1.957 279 HA GLU 36 HA GLU 36 -3.986 2.472 2.192 280 1HB GLU 36 HB2 GLU 36 -3.140 3.834 4.034 281 2HB GLU 36 HB1 GLU 36 -2.547 5.024 2.893 282 1HG GLU 36 HG2 GLU 36 -4.896 5.377 2.142 283 2HG GLU 36 HG1 GLU 36 -5.414 4.312 3.446 284 H THR 37 HN THR 37 -4.852 2.403 0.238 285 HA THR 37 HA THR 37 -4.023 4.311 -1.807 286 HB THR 37 HB THR 37 -5.989 2.020 -1.982 287 HG1 THR 37 HG1 THR 37 -4.294 0.820 -2.275 288 1HG2 THR 37 HG21 THR 37 -6.442 3.723 -3.658 289 2HG2 THR 37 HG22 THR 37 -5.750 2.284 -4.409 290 3HG2 THR 37 HG23 THR 37 -4.746 3.712 -4.145 291 H LYS 38 HN LYS 38 -5.003 6.206 -1.897 292 HA LYS 38 HA LYS 38 -7.642 6.526 -0.679 293 1HB LYS 38 HB2 LYS 38 -5.724 8.003 -0.044 294 2HB LYS 38 HB1 LYS 38 -5.744 8.639 -1.683 295 1HG LYS 38 HG2 LYS 38 -8.054 9.416 -1.324 296 2HG LYS 38 HG1 LYS 38 -7.954 8.848 0.347 297 1HD LYS 38 HD2 LYS 38 -6.199 10.940 -0.935 298 2HD LYS 38 HD1 LYS 38 -7.497 11.238 0.221 299 1HE LYS 38 HE2 LYS 38 -6.307 10.172 1.969 300 2HE LYS 38 HE1 LYS 38 -5.134 9.488 0.846 301 1HZ LYS 38 HZ1 LYS 38 -5.456 12.383 1.413 302 2HZ LYS 38 HZ2 LYS 38 -4.305 11.689 0.385 303 3HZ LYS 38 HZ3 LYS 38 -4.242 11.389 2.057 304 H ILE 39 HN ILE 39 -9.316 6.258 -1.997 305 HA ILE 39 HA ILE 39 -9.007 6.855 -4.850 306 HB ILE 39 HB ILE 39 -11.332 5.513 -3.455 307 1HG1 ILE 39 HG12 ILE 39 -10.327 3.483 -4.798 308 2HG1 ILE 39 HG11 ILE 39 -8.830 4.396 -4.663 309 1HG2 ILE 39 HG21 ILE 39 -10.634 5.738 -6.374 310 2HG2 ILE 39 HG22 ILE 39 -11.970 6.540 -5.547 311 3HG2 ILE 39 HG23 ILE 39 -11.962 4.783 -5.715 312 1HD1 ILE 39 HD11 ILE 39 -10.544 3.447 -2.384 313 2HD1 ILE 39 HD12 ILE 39 -9.066 4.396 -2.226 314 3HD1 ILE 39 HD13 ILE 39 -9.001 2.763 -2.891 315 H GLN 40 HN GLN 40 -9.645 8.798 -5.569 316 HA GLN 40 HA GLN 40 -11.394 10.517 -4.086 317 1HB GLN 40 HB2 GLN 40 -10.645 10.712 -7.012 318 2HB GLN 40 HB1 GLN 40 -11.278 12.001 -6.001 319 1HG GLN 40 HG2 GLN 40 -8.599 10.671 -5.649 320 2HG GLN 40 HG1 GLN 40 -8.875 12.217 -6.446 321 1HE2 GLN 40 HE21 GLN 40 -8.636 10.557 -3.431 322 2HE2 GLN 40 HE22 GLN 40 -8.682 11.963 -2.419 323 H PHE 41 HN PHE 41 -13.583 11.028 -4.555 324 HA PHE 41 HA PHE 41 -15.175 8.919 -5.524 325 1HB PHE 41 HB2 PHE 41 -15.720 11.775 -4.824 326 2HB PHE 41 HB1 PHE 41 -16.954 10.856 -5.674 327 HD1 PHE 41 HD1 PHE 41 -18.512 11.036 -3.828 328 HD2 PHE 41 HD2 PHE 41 -14.703 9.201 -3.310 329 HE1 PHE 41 HE1 PHE 41 -19.269 10.066 -1.699 330 HE2 PHE 41 HE2 PHE 41 -15.458 8.235 -1.178 331 HZ PHE 41 HZ PHE 41 -17.741 8.664 -0.368 332 H ALA 42 HN ALA 42 -13.741 11.658 -7.126 333 HA ALA 42 HA ALA 42 -15.272 11.391 -9.537 334 1HB ALA 42 HB1 ALA 42 -12.674 12.841 -9.056 335 2HB ALA 42 HB2 ALA 42 -14.287 13.528 -8.866 336 3HB ALA 42 HB3 ALA 42 -13.724 13.024 -10.460 337 H SER 43 HN SER 43 -12.656 9.694 -8.203 338 HA SER 43 HA SER 43 -11.532 8.840 -10.734 339 1HB SER 43 HB2 SER 43 -10.087 9.125 -8.739 340 2HB SER 43 HB1 SER 43 -10.986 7.848 -7.919 341 HG SER 43 HG SER 43 -10.241 6.379 -9.469 342 H ILE 44 HN ILE 44 -13.648 7.622 -8.221 343 HA ILE 44 HA ILE 44 -13.919 5.045 -9.540 344 HB ILE 44 HB ILE 44 -13.751 4.965 -7.144 345 1HG1 ILE 44 HG12 ILE 44 -16.619 4.469 -7.962 346 2HG1 ILE 44 HG11 ILE 44 -15.284 3.338 -8.164 347 1HG2 ILE 44 HG21 ILE 44 -14.459 7.213 -6.607 348 2HG2 ILE 44 HG22 ILE 44 -15.389 6.044 -5.667 349 3HG2 ILE 44 HG23 ILE 44 -16.117 6.828 -7.068 350 1HD1 ILE 44 HD11 ILE 44 -16.650 2.749 -6.249 351 2HD1 ILE 44 HD12 ILE 44 -16.370 4.342 -5.539 352 3HD1 ILE 44 HD13 ILE 44 -15.028 3.214 -5.737 353 H GLY 45 HN GLY 45 -15.649 8.049 -9.156 354 1HA GLY 45 HA2 GLY 45 -17.413 8.812 -10.485 355 2HA GLY 45 HA1 GLY 45 -17.620 7.182 -11.112 356 H ALA 46 HN ALA 46 -17.463 8.051 -7.722 357 HA ALA 46 HA ALA 46 -20.097 6.846 -7.350 358 1HB ALA 46 HB1 ALA 46 -18.232 6.025 -5.969 359 2HB ALA 46 HB2 ALA 46 -19.530 6.715 -4.994 360 3HB ALA 46 HB3 ALA 46 -18.052 7.637 -5.277 361 H THR 47 HN THR 47 -21.394 7.890 -5.496 362 HA THR 47 HA THR 47 -21.431 10.811 -5.944 363 HB THR 47 HB THR 47 -23.864 9.156 -5.285 364 HG1 THR 47 HG1 THR 47 -22.591 8.712 -7.392 365 1HG2 THR 47 HG21 THR 47 -23.513 11.857 -6.596 366 2HG2 THR 47 HG22 THR 47 -24.018 11.581 -4.929 367 3HG2 THR 47 HG23 THR 47 -25.050 11.063 -6.262 368 H THR 48 HN THR 48 -22.490 8.289 -3.653 369 HA THR 48 HA THR 48 -21.937 10.176 -1.449 370 HB THR 48 HB THR 48 -23.592 8.926 -0.113 371 HG1 THR 48 HG1 THR 48 -23.870 7.457 -2.539 372 1HG2 THR 48 HG21 THR 48 -24.327 10.914 -1.325 373 2HG2 THR 48 HG22 THR 48 -25.615 9.712 -1.247 374 3HG2 THR 48 HG23 THR 48 -24.699 9.926 -2.739 375 H LYS 49 HN LYS 49 -21.588 8.854 0.674 376 HA LYS 49 HA LYS 49 -19.326 7.168 0.347 377 1HB LYS 49 HB2 LYS 49 -21.098 7.510 2.772 378 2HB LYS 49 HB1 LYS 49 -19.488 6.807 2.763 379 1HG LYS 49 HG2 LYS 49 -18.543 8.943 2.083 380 2HG LYS 49 HG1 LYS 49 -20.156 9.658 2.057 381 1HD LYS 49 HD2 LYS 49 -20.374 9.107 4.470 382 2HD LYS 49 HD1 LYS 49 -18.698 8.551 4.453 383 1HE LYS 49 HE2 LYS 49 -18.789 10.814 5.294 384 2HE LYS 49 HE1 LYS 49 -17.992 10.802 3.722 385 1HZ LYS 49 HZ1 LYS 49 -19.578 12.628 3.935 386 2HZ LYS 49 HZ2 LYS 49 -20.838 11.525 4.194 387 3HZ LYS 49 HZ3 LYS 49 -20.034 11.562 2.699 388 H GLU 50 HN GLU 50 -22.719 6.624 0.397 389 HA GLU 50 HA GLU 50 -22.739 3.913 1.214 390 1HB GLU 50 HB2 GLU 50 -24.720 5.467 -0.462 391 2HB GLU 50 HB1 GLU 50 -25.017 3.875 0.222 392 1HG GLU 50 HG2 GLU 50 -24.429 6.359 1.812 393 2HG GLU 50 HG1 GLU 50 -26.034 5.682 1.533 394 H ASP 51 HN ASP 51 -23.119 5.350 -2.032 395 HA ASP 51 HA ASP 51 -22.885 2.799 -3.291 396 1HB ASP 51 HB2 ASP 51 -22.963 4.031 -5.412 397 2HB ASP 51 HB1 ASP 51 -24.249 4.527 -4.320 398 H ALA 52 HN ALA 52 -20.626 5.117 -2.213 399 HA ALA 52 HA ALA 52 -18.461 4.232 -3.872 400 1HB ALA 52 HB1 ALA 52 -18.391 5.676 -1.222 401 2HB ALA 52 HB2 ALA 52 -18.401 6.436 -2.813 402 3HB ALA 52 HB3 ALA 52 -17.024 5.454 -2.314 403 H ALA 53 HN ALA 53 -19.438 3.622 -0.496 404 HA ALA 53 HA ALA 53 -17.376 1.852 0.157 405 1HB ALA 53 HB1 ALA 53 -18.816 2.861 1.843 406 2HB ALA 53 HB2 ALA 53 -18.786 1.102 1.996 407 3HB ALA 53 HB3 ALA 53 -20.179 1.902 1.264 408 H LYS 54 HN LYS 54 -20.612 1.191 -1.137 409 HA LYS 54 HA LYS 54 -20.404 -1.619 -0.900 410 1HB LYS 54 HB2 LYS 54 -22.193 0.004 -2.715 411 2HB LYS 54 HB1 LYS 54 -22.416 -1.691 -2.296 412 1HG LYS 54 HG2 LYS 54 -22.728 -1.098 0.034 413 2HG LYS 54 HG1 LYS 54 -22.448 0.600 -0.347 414 1HD LYS 54 HD2 LYS 54 -24.425 0.480 -1.887 415 2HD LYS 54 HD1 LYS 54 -24.746 -1.132 -1.240 416 1HE LYS 54 HE2 LYS 54 -24.639 1.436 0.342 417 2HE LYS 54 HE1 LYS 54 -26.097 0.549 -0.100 418 1HZ LYS 54 HZ1 LYS 54 -25.364 0.132 2.194 419 2HZ LYS 54 HZ2 LYS 54 -23.919 -0.539 1.610 420 3HZ LYS 54 HZ3 LYS 54 -25.404 -1.284 1.261 421 H THR 55 HN THR 55 -18.849 0.461 -3.008 422 HA THR 55 HA THR 55 -18.570 -1.565 -5.099 423 HB THR 55 HB THR 55 -17.498 1.266 -5.033 424 HG1 THR 55 HG1 THR 55 -19.602 1.619 -5.309 425 1HG2 THR 55 HG21 THR 55 -17.761 -0.704 -7.313 426 2HG2 THR 55 HG22 THR 55 -16.251 -0.232 -6.533 427 3HG2 THR 55 HG23 THR 55 -17.183 0.958 -7.442 428 H LEU 56 HN LEU 56 -16.761 0.101 -2.585 429 HA LEU 56 HA LEU 56 -14.251 -1.120 -3.381 430 1HB LEU 56 HB2 LEU 56 -14.949 0.609 -1.006 431 2HB LEU 56 HB1 LEU 56 -13.331 0.071 -1.413 432 HG LEU 56 HG LEU 56 -15.052 1.885 -3.110 433 1HD1 LEU 56 HD11 LEU 56 -14.248 2.974 -1.080 434 2HD1 LEU 56 HD12 LEU 56 -13.433 3.607 -2.510 435 3HD1 LEU 56 HD13 LEU 56 -12.600 2.468 -1.455 436 1HD2 LEU 56 HD21 LEU 56 -13.586 0.484 -4.461 437 2HD2 LEU 56 HD22 LEU 56 -12.204 0.969 -3.478 438 3HD2 LEU 56 HD23 LEU 56 -13.042 2.163 -4.468 439 H GLU 57 HN GLU 57 -16.824 -1.677 -1.158 440 HA GLU 57 HA GLU 57 -15.727 -3.141 0.859 441 1HB GLU 57 HB2 GLU 57 -18.364 -3.230 -0.513 442 2HB GLU 57 HB1 GLU 57 -17.977 -4.520 0.614 443 1HG GLU 57 HG2 GLU 57 -17.787 -1.610 1.333 444 2HG GLU 57 HG1 GLU 57 -19.254 -2.568 1.552 445 HA PRO 58 HA PRO 58 -15.947 -7.264 -1.685 446 1HB PRO 58 HB2 PRO 58 -16.052 -7.051 -4.401 447 2HB PRO 58 HB1 PRO 58 -17.481 -7.236 -3.381 448 1HG PRO 58 HG2 PRO 58 -16.323 -4.756 -4.588 449 2HG PRO 58 HG1 PRO 58 -18.020 -5.259 -4.469 450 1HD PRO 58 HD2 PRO 58 -16.941 -3.450 -2.789 451 2HD PRO 58 HD1 PRO 58 -18.196 -4.591 -2.266 452 H LEU 59 HN LEU 59 -14.238 -4.427 -2.718 453 HA LEU 59 HA LEU 59 -12.071 -5.894 -3.952 454 1HB LEU 59 HB2 LEU 59 -12.286 -2.980 -3.188 455 2HB LEU 59 HB1 LEU 59 -10.970 -3.686 -4.108 456 HG LEU 59 HG LEU 59 -13.851 -3.446 -4.980 457 1HD1 LEU 59 HD11 LEU 59 -12.607 -1.365 -5.097 458 2HD1 LEU 59 HD12 LEU 59 -12.915 -1.996 -6.714 459 3HD1 LEU 59 HD13 LEU 59 -11.315 -2.169 -5.991 460 1HD2 LEU 59 HD21 LEU 59 -11.507 -4.678 -6.425 461 2HD2 LEU 59 HD22 LEU 59 -13.114 -4.406 -7.101 462 3HD2 LEU 59 HD23 LEU 59 -12.896 -5.547 -5.774 463 H SER 60 HN SER 60 -12.496 -3.930 -1.012 464 HA SER 60 HA SER 60 -10.008 -4.568 0.138 465 1HB SER 60 HB2 SER 60 -12.567 -3.974 1.639 466 2HB SER 60 HB1 SER 60 -10.912 -3.677 2.176 467 HG SER 60 HG SER 60 -10.849 -2.289 0.141 468 H ALA 61 HN ALA 61 -13.036 -6.256 -0.027 469 HA ALA 61 HA ALA 61 -12.596 -8.144 2.043 470 1HB ALA 61 HB1 ALA 61 -14.820 -7.618 1.174 471 2HB ALA 61 HB2 ALA 61 -14.477 -9.346 1.082 472 3HB ALA 61 HB3 ALA 61 -14.386 -8.350 -0.370 473 H LYS 62 HN LYS 62 -10.829 -7.792 -0.706 474 HA LYS 62 HA LYS 62 -10.547 -10.557 -1.403 475 1HB LYS 62 HB2 LYS 62 -8.831 -8.147 -2.019 476 2HB LYS 62 HB1 LYS 62 -8.507 -9.759 -2.642 477 1HG LYS 62 HG2 LYS 62 -10.577 -9.759 -3.864 478 2HG LYS 62 HG1 LYS 62 -11.046 -8.221 -3.136 479 1HD LYS 62 HD2 LYS 62 -9.136 -7.127 -4.210 480 2HD LYS 62 HD1 LYS 62 -8.672 -8.665 -4.944 481 1HE LYS 62 HE2 LYS 62 -11.310 -7.276 -5.386 482 2HE LYS 62 HE1 LYS 62 -9.924 -7.151 -6.468 483 1HZ LYS 62 HZ1 LYS 62 -11.581 -8.809 -7.179 484 2HZ LYS 62 HZ2 LYS 62 -11.285 -9.704 -5.769 485 3HZ LYS 62 HZ3 LYS 62 -10.055 -9.490 -6.913 486 H TYR 63 HN TYR 63 -9.064 -8.389 0.887 487 HA TYR 63 HA TYR 63 -6.811 -10.073 1.437 488 1HB TYR 63 HB2 TYR 63 -7.987 -7.752 2.979 489 2HB TYR 63 HB1 TYR 63 -6.469 -8.548 3.382 490 HD1 TYR 63 HD1 TYR 63 -8.152 -6.292 1.040 491 HD2 TYR 63 HD2 TYR 63 -4.501 -8.249 1.998 492 HE1 TYR 63 HE1 TYR 63 -6.957 -4.808 -0.513 493 HE2 TYR 63 HE2 TYR 63 -3.294 -6.775 0.456 494 HH TYR 63 HH TYR 63 -4.748 -3.982 -0.940 495 H LYS 64 HN LYS 64 -9.666 -9.185 3.334 496 HA LYS 64 HA LYS 64 -10.932 -10.313 4.815 497 1HB LYS 64 HB2 LYS 64 -9.685 -12.681 3.446 498 2HB LYS 64 HB1 LYS 64 -10.894 -12.847 4.713 499 1HG LYS 64 HG2 LYS 64 -12.573 -11.930 3.408 500 2HG LYS 64 HG1 LYS 64 -11.428 -11.160 2.308 501 1HD LYS 64 HD2 LYS 64 -11.899 -14.132 2.556 502 2HD LYS 64 HD1 LYS 64 -12.532 -13.093 1.275 503 1HE LYS 64 HE2 LYS 64 -10.090 -12.461 0.841 504 2HE LYS 64 HE1 LYS 64 -9.685 -13.850 1.847 505 1HZ LYS 64 HZ1 LYS 64 -11.314 -13.929 -0.633 506 2HZ LYS 64 HZ2 LYS 64 -10.912 -15.273 0.326 507 3HZ LYS 64 HZ3 LYS 64 -9.694 -14.418 -0.497 508 H ASN 65 HN ASN 65 -8.517 -12.809 5.039 509 HA ASN 65 HA ASN 65 -7.552 -11.784 7.578 510 1HB ASN 65 HB2 ASN 65 -9.722 -12.979 8.050 511 2HB ASN 65 HB1 ASN 65 -8.978 -14.455 7.447 512 1HD2 ASN 65 HD21 ASN 65 -9.259 -15.454 9.449 513 2HD2 ASN 65 HD22 ASN 65 -8.265 -15.071 10.812 514 H ILE 66 HN ILE 66 -6.299 -12.225 5.114 515 HA ILE 66 HA ILE 66 -4.912 -14.619 4.787 516 HB ILE 66 HB ILE 66 -3.722 -11.860 4.440 517 1HG1 ILE 66 HG12 ILE 66 -5.148 -13.556 2.384 518 2HG1 ILE 66 HG11 ILE 66 -5.868 -12.173 3.209 519 1HG2 ILE 66 HG21 ILE 66 -2.052 -13.623 4.406 520 2HG2 ILE 66 HG22 ILE 66 -2.260 -12.940 2.794 521 3HG2 ILE 66 HG23 ILE 66 -2.979 -14.501 3.190 522 1HD1 ILE 66 HD11 ILE 66 -5.046 -11.625 0.964 523 2HD1 ILE 66 HD12 ILE 66 -3.413 -12.063 1.472 524 3HD1 ILE 66 HD13 ILE 66 -4.237 -10.697 2.225 525 H ALA 67 HN ALA 67 -4.288 -11.951 6.942 526 HA ALA 67 HA ALA 67 -2.686 -13.394 8.776 527 1HB ALA 67 HB1 ALA 67 -0.997 -13.171 7.001 528 2HB ALA 67 HB2 ALA 67 -0.564 -12.197 8.406 529 3HB ALA 67 HB3 ALA 67 -1.246 -11.425 6.976 530 H GLY 68 HN GLY 68 -1.187 -10.886 9.456 531 1HA GLY 68 HA2 GLY 68 -3.268 -9.436 10.792 532 2HA GLY 68 HA1 GLY 68 -1.561 -9.014 10.749 533 H VAL 69 HN VAL 69 -3.915 -9.424 8.116 534 HA VAL 69 HA VAL 69 -3.112 -6.822 7.065 535 HB VAL 69 HB VAL 69 -4.549 -7.537 5.060 536 1HG1 VAL 69 HG11 VAL 69 -2.052 -9.073 5.758 537 2HG1 VAL 69 HG12 VAL 69 -2.127 -7.473 5.017 538 3HG1 VAL 69 HG13 VAL 69 -2.716 -8.885 4.136 539 1HG2 VAL 69 HG21 VAL 69 -5.772 -9.352 6.113 540 2HG2 VAL 69 HG22 VAL 69 -4.263 -10.206 6.420 541 3HG2 VAL 69 HG23 VAL 69 -4.813 -9.960 4.764 542 H GLU 70 HN GLU 70 -4.207 -5.173 7.719 543 HA GLU 70 HA GLU 70 -7.054 -5.480 8.389 544 1HB GLU 70 HB2 GLU 70 -5.194 -3.214 9.132 545 2HB GLU 70 HB1 GLU 70 -6.794 -3.533 9.787 546 1HG GLU 70 HG2 GLU 70 -5.994 -5.535 10.872 547 2HG GLU 70 HG1 GLU 70 -4.409 -5.337 10.135 548 H GLU 71 HN GLU 71 -8.286 -4.975 6.643 549 HA GLU 71 HA GLU 71 -7.468 -2.699 5.005 550 1HB GLU 71 HB2 GLU 71 -9.160 -3.372 3.404 551 2HB GLU 71 HB1 GLU 71 -8.136 -4.739 3.801 552 1HG GLU 71 HG2 GLU 71 -10.868 -4.274 4.975 553 2HG GLU 71 HG1 GLU 71 -10.553 -5.264 3.555 554 H LYS 72 HN LYS 72 -7.910 -0.899 6.036 555 HA LYS 72 HA LYS 72 -10.490 -0.617 7.404 556 1HB LYS 72 HB2 LYS 72 -7.943 0.996 7.624 557 2HB LYS 72 HB1 LYS 72 -9.423 1.337 8.511 558 1HG LYS 72 HG2 LYS 72 -9.272 -0.789 9.653 559 2HG LYS 72 HG1 LYS 72 -7.842 -1.217 8.713 560 1HD LYS 72 HD2 LYS 72 -6.583 0.565 9.715 561 2HD LYS 72 HD1 LYS 72 -8.019 1.170 10.544 562 1HE LYS 72 HE2 LYS 72 -6.749 -1.529 10.993 563 2HE LYS 72 HE1 LYS 72 -6.535 -0.121 12.032 564 1HZ LYS 72 HZ1 LYS 72 -9.050 -1.624 11.535 565 2HZ LYS 72 HZ2 LYS 72 -8.992 -0.136 12.349 566 3HZ LYS 72 HZ3 LYS 72 -8.200 -1.486 12.999 567 H LEU 73 HN LEU 73 -11.966 0.102 6.023 568 HA LEU 73 HA LEU 73 -11.332 2.073 4.004 569 1HB LEU 73 HB2 LEU 73 -13.879 0.657 4.773 570 2HB LEU 73 HB1 LEU 73 -13.812 1.884 3.522 571 HG LEU 73 HG LEU 73 -12.207 -0.673 3.454 572 1HD1 LEU 73 HD11 LEU 73 -13.815 -1.437 1.784 573 2HD1 LEU 73 HD12 LEU 73 -14.787 0.010 2.050 574 3HD1 LEU 73 HD13 LEU 73 -14.592 -1.172 3.344 575 1HD2 LEU 73 HD21 LEU 73 -12.794 1.392 1.340 576 2HD2 LEU 73 HD22 LEU 73 -11.864 -0.090 1.117 577 3HD2 LEU 73 HD23 LEU 73 -11.257 1.181 2.177 578 H THR 74 HN THR 74 -11.051 4.085 4.714 579 HA THR 74 HA THR 74 -12.892 5.122 6.759 580 HB THR 74 HB THR 74 -11.096 7.015 6.839 581 HG1 THR 74 HG1 THR 74 -9.627 4.849 5.693 582 1HG2 THR 74 HG21 THR 74 -9.815 5.750 8.499 583 2HG2 THR 74 HG22 THR 74 -10.517 4.249 7.896 584 3HG2 THR 74 HG23 THR 74 -11.545 5.457 8.665 585 H TYR 75 HN TYR 75 -14.333 6.635 6.218 586 HA TYR 75 HA TYR 75 -14.141 7.726 3.486 587 1HB TYR 75 HB2 TYR 75 -16.622 7.171 5.128 588 2HB TYR 75 HB1 TYR 75 -16.591 7.786 3.478 589 HD1 TYR 75 HD1 TYR 75 -16.190 4.843 5.600 590 HD2 TYR 75 HD2 TYR 75 -15.991 6.317 1.616 591 HE1 TYR 75 HE1 TYR 75 -16.179 2.535 4.757 592 HE2 TYR 75 HE2 TYR 75 -15.981 4.012 0.758 593 HH TYR 75 HH TYR 75 -16.634 1.285 2.778 594 H THR 76 HN THR 76 -13.680 9.809 3.429 595 HA THR 76 HA THR 76 -14.212 11.506 5.707 596 HB THR 76 HB THR 76 -13.146 13.275 4.202 597 HG1 THR 76 HG1 THR 76 -11.874 11.445 2.660 598 1HG2 THR 76 HG21 THR 76 -11.910 12.144 5.982 599 2HG2 THR 76 HG22 THR 76 -10.880 12.408 4.574 600 3HG2 THR 76 HG23 THR 76 -11.549 10.806 4.892 601 H ASP 77 HN ASP 77 -14.789 11.907 2.260 602 HA ASP 77 HA ASP 77 -17.563 12.122 2.315 603 1HB ASP 77 HB2 ASP 77 -17.089 14.172 3.672 604 2HB ASP 77 HB1 ASP 77 -16.236 14.842 2.285 605 H THR 78 HN THR 78 -14.783 13.784 0.847 606 HA THR 78 HA THR 78 -15.990 13.504 -1.790 607 HB THR 78 HB THR 78 -13.407 14.874 -0.996 608 HG1 THR 78 HG1 THR 78 -16.086 15.833 -1.275 609 1HG2 THR 78 HG21 THR 78 -13.659 16.073 -3.122 610 2HG2 THR 78 HG22 THR 78 -15.102 15.127 -3.489 611 3HG2 THR 78 HG23 THR 78 -13.530 14.333 -3.388 612 H TYR 79 HN TYR 79 -13.859 11.770 0.175 613 HA TYR 79 HA TYR 79 -13.126 10.077 -2.041 614 1HB TYR 79 HB2 TYR 79 -10.703 10.132 -1.517 615 2HB TYR 79 HB1 TYR 79 -11.310 11.657 -2.145 616 HD1 TYR 79 HD1 TYR 79 -9.976 9.936 0.802 617 HD2 TYR 79 HD2 TYR 79 -11.360 13.648 -0.748 618 HE1 TYR 79 HE1 TYR 79 -8.970 11.103 2.717 619 HE2 TYR 79 HE2 TYR 79 -10.357 14.826 1.165 620 HH TYR 79 HH TYR 79 -9.683 14.284 3.526 621 H ALA 80 HN ALA 80 -12.047 8.098 -1.352 622 HA ALA 80 HA ALA 80 -12.676 7.400 1.442 623 1HB ALA 80 HB1 ALA 80 -12.984 5.635 -0.985 624 2HB ALA 80 HB2 ALA 80 -14.302 6.404 -0.099 625 3HB ALA 80 HB3 ALA 80 -13.312 5.173 0.685 626 H GLN 81 HN GLN 81 -11.087 6.422 2.559 627 HA GLN 81 HA GLN 81 -8.567 5.956 1.121 628 1HB GLN 81 HB2 GLN 81 -9.126 6.535 4.032 629 2HB GLN 81 HB1 GLN 81 -7.535 6.155 3.390 630 1HG GLN 81 HG2 GLN 81 -7.433 8.150 2.161 631 2HG GLN 81 HG1 GLN 81 -9.161 8.451 2.357 632 1HE2 GLN 81 HE21 GLN 81 -6.047 8.461 3.948 633 2HE2 GLN 81 HE22 GLN 81 -6.522 9.469 5.280 634 H GLU 82 HN GLU 82 -8.309 3.880 0.611 635 HA GLU 82 HA GLU 82 -9.232 1.794 2.412 636 1HB GLU 82 HB2 GLU 82 -9.485 1.504 -0.035 637 2HB GLU 82 HB1 GLU 82 -7.739 1.579 -0.215 638 1HG GLU 82 HG2 GLU 82 -7.506 -0.452 1.116 639 2HG GLU 82 HG1 GLU 82 -9.255 -0.521 1.317 640 H ASN 83 HN ASN 83 -7.961 2.076 4.207 641 HA ASN 83 HA ASN 83 -5.079 2.169 3.967 642 1HB ASN 83 HB2 ASN 83 -6.293 3.437 5.744 643 2HB ASN 83 HB1 ASN 83 -6.780 1.907 6.462 644 1HD2 ASN 83 HD21 ASN 83 -5.184 4.098 7.544 645 2HD2 ASN 83 HD22 ASN 83 -3.681 3.387 8.034 646 H VAL 84 HN VAL 84 -4.244 0.318 3.248 647 HA VAL 84 HA VAL 84 -5.207 -2.200 4.419 648 HB VAL 84 HB VAL 84 -3.344 -1.858 2.062 649 1HG1 VAL 84 HG11 VAL 84 -4.931 -4.224 3.045 650 2HG1 VAL 84 HG12 VAL 84 -3.183 -4.019 3.157 651 3HG1 VAL 84 HG13 VAL 84 -3.953 -4.181 1.579 652 1HG2 VAL 84 HG21 VAL 84 -5.499 -0.835 1.557 653 2HG2 VAL 84 HG22 VAL 84 -6.330 -2.309 2.057 654 3HG2 VAL 84 HG23 VAL 84 -5.279 -2.324 0.640 655 H THR 85 HN THR 85 -4.147 -2.659 6.247 656 HA THR 85 HA THR 85 -1.298 -2.042 6.449 657 HB THR 85 HB THR 85 -3.141 -3.159 8.576 658 HG1 THR 85 HG1 THR 85 -3.284 -0.809 7.522 659 1HG2 THR 85 HG21 THR 85 -1.414 -2.388 10.127 660 2HG2 THR 85 HG22 THR 85 -0.437 -1.822 8.773 661 3HG2 THR 85 HG23 THR 85 -0.746 -3.547 8.978 662 H ILE 86 HN ILE 86 -0.088 -3.554 5.474 663 HA ILE 86 HA ILE 86 -0.922 -6.366 5.652 664 HB ILE 86 HB ILE 86 1.109 -5.077 3.816 665 1HG1 ILE 86 HG12 ILE 86 -1.699 -6.038 3.226 666 2HG1 ILE 86 HG11 ILE 86 -1.218 -4.352 3.385 667 1HG2 ILE 86 HG21 ILE 86 1.026 -7.194 2.575 668 2HG2 ILE 86 HG22 ILE 86 -0.045 -7.866 3.805 669 3HG2 ILE 86 HG23 ILE 86 1.611 -7.423 4.223 670 1HD1 ILE 86 HD11 ILE 86 0.243 -4.591 1.445 671 2HD1 ILE 86 HD12 ILE 86 -1.429 -4.999 1.056 672 3HD1 ILE 86 HD13 ILE 86 -0.239 -6.279 1.292 673 H ASP 87 HN ASP 87 0.362 -7.895 6.595 674 HA ASP 87 HA ASP 87 2.982 -7.028 7.622 675 1HB ASP 87 HB2 ASP 87 1.518 -7.728 9.421 676 2HB ASP 87 HB1 ASP 87 1.138 -9.230 8.582 677 H MET 88 HN MET 88 4.771 -8.020 6.850 678 HA MET 88 HA MET 88 4.341 -9.700 4.515 679 1HB MET 88 HB2 MET 88 6.849 -8.420 5.606 680 2HB MET 88 HB1 MET 88 6.756 -9.319 4.102 681 1HG MET 88 HG2 MET 88 5.207 -6.810 4.681 682 2HG MET 88 HG1 MET 88 6.743 -6.862 3.825 683 1HE MET 88 HE1 MET 88 4.398 -5.403 2.460 684 2HE MET 88 HE2 MET 88 4.447 -6.088 0.837 685 3HE MET 88 HE3 MET 88 5.950 -5.707 1.677 686 H GLU 89 HN GLU 89 4.738 -10.338 7.715 687 HA GLU 89 HA GLU 89 6.706 -12.467 7.364 688 1HB GLU 89 HB2 GLU 89 5.316 -11.511 9.872 689 2HB GLU 89 HB1 GLU 89 6.601 -12.708 9.806 690 1HG GLU 89 HG2 GLU 89 8.004 -10.863 8.720 691 2HG GLU 89 HG1 GLU 89 6.757 -9.758 9.303 692 H LYS 90 HN LYS 90 3.344 -12.025 8.374 693 HA LYS 90 HA LYS 90 3.035 -14.945 8.407 694 1HB LYS 90 HB2 LYS 90 2.393 -13.550 10.409 695 2HB LYS 90 HB1 LYS 90 1.105 -12.862 9.432 696 1HG LYS 90 HG2 LYS 90 0.033 -15.004 9.231 697 2HG LYS 90 HG1 LYS 90 1.386 -15.799 10.040 698 1HD LYS 90 HD2 LYS 90 0.911 -14.499 12.076 699 2HD LYS 90 HD1 LYS 90 -0.459 -13.745 11.260 700 1HE LYS 90 HE2 LYS 90 -0.166 -16.708 11.714 701 2HE LYS 90 HE1 LYS 90 -1.083 -15.625 12.762 702 1HZ LYS 90 HZ1 LYS 90 -2.529 -15.094 10.931 703 2HZ LYS 90 HZ2 LYS 90 -2.483 -16.778 11.142 704 3HZ LYS 90 HZ3 LYS 90 -1.620 -16.059 9.871 705 H VAL 91 HN VAL 91 2.716 -12.565 6.207 706 HA VAL 91 HA VAL 91 0.085 -13.053 5.215 707 HB VAL 91 HB VAL 91 1.475 -10.964 4.779 708 1HG1 VAL 91 HG11 VAL 91 2.674 -12.701 2.630 709 2HG1 VAL 91 HG12 VAL 91 3.525 -12.065 4.041 710 3HG1 VAL 91 HG13 VAL 91 2.904 -10.962 2.810 711 1HG2 VAL 91 HG21 VAL 91 -0.648 -11.365 3.659 712 2HG2 VAL 91 HG22 VAL 91 0.175 -12.309 2.415 713 3HG2 VAL 91 HG23 VAL 91 0.498 -10.582 2.572 714 H ASP 92 HN ASP 92 -0.464 -14.032 3.197 715 HA ASP 92 HA ASP 92 1.412 -16.103 2.280 716 1HB ASP 92 HB2 ASP 92 -0.442 -17.116 3.540 717 2HB ASP 92 HB1 ASP 92 -1.604 -16.301 2.498 718 H PHE 93 HN PHE 93 1.997 -15.784 0.231 719 HA PHE 93 HA PHE 93 0.763 -13.656 -1.245 720 1HB PHE 93 HB2 PHE 93 3.022 -15.514 -2.002 721 2HB PHE 93 HB1 PHE 93 2.521 -14.100 -2.924 722 HD1 PHE 93 HD1 PHE 93 4.373 -15.315 -0.068 723 HD2 PHE 93 HD2 PHE 93 2.823 -11.838 -1.969 724 HE1 PHE 93 HE1 PHE 93 5.864 -13.910 1.294 725 HE2 PHE 93 HE2 PHE 93 4.311 -10.426 -0.611 726 HZ PHE 93 HZ PHE 93 5.836 -11.462 1.024 727 H LYS 94 HN LYS 94 0.492 -17.070 -1.160 728 HA LYS 94 HA LYS 94 -0.647 -17.511 -3.708 729 1HB LYS 94 HB2 LYS 94 0.092 -19.367 -2.336 730 2HB LYS 94 HB1 LYS 94 -1.047 -18.935 -1.071 731 1HG LYS 94 HG2 LYS 94 -2.907 -19.473 -2.585 732 2HG LYS 94 HG1 LYS 94 -1.740 -19.950 -3.818 733 1HD LYS 94 HD2 LYS 94 -2.455 -21.952 -2.767 734 2HD LYS 94 HD1 LYS 94 -0.834 -21.620 -2.158 735 1HE LYS 94 HE2 LYS 94 -3.368 -20.876 -0.699 736 2HE LYS 94 HE1 LYS 94 -2.489 -22.378 -0.427 737 1HZ LYS 94 HZ1 LYS 94 -1.765 -20.910 1.227 738 2HZ LYS 94 HZ2 LYS 94 -1.613 -19.605 0.155 739 3HZ LYS 94 HZ3 LYS 94 -0.515 -20.896 0.085 740 H ALA 95 HN ALA 95 -1.974 -16.472 -0.617 741 HA ALA 95 HA ALA 95 -4.678 -16.308 -1.524 742 1HB ALA 95 HB1 ALA 95 -5.085 -15.077 0.545 743 2HB ALA 95 HB2 ALA 95 -3.347 -14.952 0.818 744 3HB ALA 95 HB3 ALA 95 -4.133 -16.531 0.845 745 H LEU 96 HN LEU 96 -1.906 -14.262 -1.754 746 HA LEU 96 HA LEU 96 -3.395 -11.853 -2.348 747 1HB LEU 96 HB2 LEU 96 -0.463 -12.535 -2.394 748 2HB LEU 96 HB1 LEU 96 -1.070 -10.985 -2.943 749 HG LEU 96 HG LEU 96 -1.396 -12.087 -0.149 750 1HD1 LEU 96 HD11 LEU 96 0.929 -11.535 -0.645 751 2HD1 LEU 96 HD12 LEU 96 0.229 -10.370 0.481 752 3HD1 LEU 96 HD13 LEU 96 0.435 -9.940 -1.217 753 1HD2 LEU 96 HD21 LEU 96 -2.047 -9.382 -1.314 754 2HD2 LEU 96 HD22 LEU 96 -2.154 -9.821 0.390 755 3HD2 LEU 96 HD23 LEU 96 -3.215 -10.593 -0.787 756 H GLN 97 HN GLN 97 -2.925 -14.566 -4.042 757 HA GLN 97 HA GLN 97 -1.842 -13.952 -6.502 758 1HB GLN 97 HB2 GLN 97 -2.454 -16.201 -5.781 759 2HB GLN 97 HB1 GLN 97 -4.156 -15.783 -5.861 760 1HG GLN 97 HG2 GLN 97 -3.947 -15.461 -8.285 761 2HG GLN 97 HG1 GLN 97 -2.250 -15.939 -8.185 762 1HE2 GLN 97 HE21 GLN 97 -2.569 -17.720 -9.522 763 2HE2 GLN 97 HE22 GLN 97 -3.383 -19.145 -8.965 764 H GLY 98 HN GLY 98 -5.292 -13.735 -5.582 765 1HA GLY 98 HA2 GLY 98 -5.815 -12.292 -8.079 766 2HA GLY 98 HA1 GLY 98 -7.024 -12.947 -6.987 767 H ILE 99 HN ILE 99 -4.474 -11.196 -5.528 768 HA ILE 99 HA ILE 99 -6.316 -8.938 -5.099 769 HB ILE 99 HB ILE 99 -4.039 -9.819 -3.327 770 1HG1 ILE 99 HG12 ILE 99 -7.015 -10.211 -2.944 771 2HG1 ILE 99 HG11 ILE 99 -5.872 -11.479 -3.381 772 1HG2 ILE 99 HG21 ILE 99 -6.232 -7.795 -2.909 773 2HG2 ILE 99 HG22 ILE 99 -4.518 -7.453 -3.149 774 3HG2 ILE 99 HG23 ILE 99 -5.055 -8.290 -1.692 775 1HD1 ILE 99 HD11 ILE 99 -4.722 -11.181 -1.264 776 2HD1 ILE 99 HD12 ILE 99 -6.433 -11.532 -1.012 777 3HD1 ILE 99 HD13 ILE 99 -5.834 -9.884 -0.829 778 H SER 100 HN SER 100 -2.995 -9.856 -5.749 779 HA SER 100 HA SER 100 -1.977 -7.203 -5.625 780 1HB SER 100 HB2 SER 100 -0.706 -9.633 -6.896 781 2HB SER 100 HB1 SER 100 0.113 -8.152 -6.387 782 HG SER 100 HG SER 100 -1.050 -10.182 -4.805 783 H GLY 101 HN GLY 101 -3.222 -5.956 -7.032 784 1HA GLY 101 HA2 GLY 101 -3.156 -6.482 -9.879 785 2HA GLY 101 HA1 GLY 101 -3.793 -5.040 -9.095 786 H ILE 102 HN ILE 102 -0.892 -5.558 -7.755 787 HA ILE 102 HA ILE 102 0.412 -3.371 -8.969 788 HB ILE 102 HB ILE 102 1.670 -5.615 -7.373 789 1HG1 ILE 102 HG12 ILE 102 0.533 -3.008 -6.352 790 2HG1 ILE 102 HG11 ILE 102 -0.268 -4.565 -6.214 791 1HG2 ILE 102 HG21 ILE 102 3.318 -4.248 -8.494 792 2HG2 ILE 102 HG22 ILE 102 3.350 -3.915 -6.763 793 3HG2 ILE 102 HG23 ILE 102 2.573 -2.778 -7.865 794 1HD1 ILE 102 HD11 ILE 102 0.836 -3.945 -4.141 795 2HD1 ILE 102 HD12 ILE 102 2.381 -3.841 -4.985 796 3HD1 ILE 102 HD13 ILE 102 1.559 -5.395 -4.836 797 H ASN 103 HN ASN 103 1.565 -3.296 -10.823 798 HA ASN 103 HA ASN 103 2.259 -5.682 -12.267 799 1HB ASN 103 HB2 ASN 103 1.767 -3.385 -13.303 800 2HB ASN 103 HB1 ASN 103 3.368 -2.909 -12.758 801 1HD2 ASN 103 HD21 ASN 103 4.494 -5.607 -13.305 802 2HD2 ASN 103 HD22 ASN 103 4.648 -5.688 -15.023 803 H VAL 104 HN VAL 104 3.661 -6.951 -11.193 804 HA VAL 104 HA VAL 104 6.091 -5.699 -10.101 805 HB VAL 104 HB VAL 104 4.299 -6.163 -8.368 806 1HG1 VAL 104 HG11 VAL 104 3.447 -8.255 -9.235 807 2HG1 VAL 104 HG12 VAL 104 4.050 -8.476 -7.592 808 3HG1 VAL 104 HG13 VAL 104 5.008 -9.031 -8.964 809 1HG2 VAL 104 HG21 VAL 104 6.592 -5.835 -7.708 810 2HG2 VAL 104 HG22 VAL 104 6.967 -7.523 -8.051 811 3HG2 VAL 104 HG23 VAL 104 5.871 -7.115 -6.731 812 H SER 105 HN SER 105 7.721 -7.471 -9.483 813 HA SER 105 HA SER 105 8.126 -9.110 -11.825 814 1HB SER 105 HB2 SER 105 9.973 -7.803 -10.789 815 2HB SER 105 HB1 SER 105 9.843 -8.805 -9.345 816 HG SER 105 HG SER 105 10.654 -9.556 -11.955 817 H ALA 106 HN ALA 106 8.431 -11.383 -11.799 818 HA ALA 106 HA ALA 106 6.583 -12.780 -10.173 819 1HB ALA 106 HB1 ALA 106 8.806 -13.933 -11.842 820 2HB ALA 106 HB2 ALA 106 7.222 -13.464 -12.458 821 3HB ALA 106 HB3 ALA 106 7.361 -14.770 -11.282 822 H GLU 107 HN GLU 107 10.138 -12.594 -10.118 823 HA GLU 107 HA GLU 107 10.333 -14.435 -7.906 824 1HB GLU 107 HB2 GLU 107 12.408 -12.677 -9.221 825 2HB GLU 107 HB1 GLU 107 12.752 -13.872 -7.979 826 1HG GLU 107 HG2 GLU 107 11.925 -15.639 -9.459 827 2HG GLU 107 HG1 GLU 107 11.613 -14.433 -10.708 828 H ASP 108 HN ASP 108 9.064 -11.583 -7.892 829 HA ASP 108 HA ASP 108 10.497 -10.375 -5.677 830 1HB ASP 108 HB2 ASP 108 9.740 -8.923 -7.489 831 2HB ASP 108 HB1 ASP 108 8.090 -9.500 -7.297 832 H ALA 109 HN ALA 109 7.104 -11.127 -6.420 833 HA ALA 109 HA ALA 109 6.434 -11.200 -3.625 834 1HB ALA 109 HB1 ALA 109 4.155 -11.608 -4.404 835 2HB ALA 109 HB2 ALA 109 4.753 -11.815 -6.051 836 3HB ALA 109 HB3 ALA 109 4.892 -10.248 -5.252 837 H LYS 110 HN LYS 110 7.034 -13.559 -6.154 838 HA LYS 110 HA LYS 110 5.765 -15.741 -4.832 839 1HB LYS 110 HB2 LYS 110 7.826 -15.726 -7.041 840 2HB LYS 110 HB1 LYS 110 7.000 -17.167 -6.469 841 1HG LYS 110 HG2 LYS 110 4.856 -16.192 -7.146 842 2HG LYS 110 HG1 LYS 110 5.710 -14.770 -7.753 843 1HD LYS 110 HD2 LYS 110 6.940 -16.174 -9.329 844 2HD LYS 110 HD1 LYS 110 6.100 -17.602 -8.721 845 1HE LYS 110 HE2 LYS 110 3.962 -16.632 -9.445 846 2HE LYS 110 HE1 LYS 110 4.822 -15.228 -10.074 847 1HZ LYS 110 HZ1 LYS 110 5.886 -16.565 -11.708 848 2HZ LYS 110 HZ2 LYS 110 4.235 -16.950 -11.758 849 3HZ LYS 110 HZ3 LYS 110 5.327 -18.004 -11.004 850 H LYS 111 HN LYS 111 9.018 -14.436 -4.742 851 HA LYS 111 HA LYS 111 9.923 -16.799 -3.274 852 1HB LYS 111 HB2 LYS 111 11.439 -14.568 -4.613 853 2HB LYS 111 HB1 LYS 111 12.212 -15.770 -3.584 854 1HG LYS 111 HG2 LYS 111 11.349 -17.546 -5.073 855 2HG LYS 111 HG1 LYS 111 10.694 -16.296 -6.131 856 1HD LYS 111 HD2 LYS 111 12.891 -15.468 -6.614 857 2HD LYS 111 HD1 LYS 111 13.610 -16.530 -5.398 858 1HE LYS 111 HE2 LYS 111 12.890 -18.483 -6.691 859 2HE LYS 111 HE1 LYS 111 12.184 -17.421 -7.904 860 1HZ LYS 111 HZ1 LYS 111 15.061 -17.352 -7.187 861 2HZ LYS 111 HZ2 LYS 111 14.305 -16.637 -8.530 862 3HZ LYS 111 HZ3 LYS 111 14.438 -18.324 -8.431 863 H GLY 112 HN GLY 112 9.167 -13.458 -2.793 864 1HA GLY 112 HA2 GLY 112 8.622 -13.203 -0.306 865 2HA GLY 112 HA1 GLY 112 10.316 -13.622 -0.084 866 H ILE 113 HN ILE 113 8.471 -11.144 0.253 867 HA ILE 113 HA ILE 113 9.690 -9.176 -1.441 868 HB ILE 113 HB ILE 113 7.940 -8.772 0.989 869 1HG1 ILE 113 HG12 ILE 113 6.740 -10.084 -0.644 870 2HG1 ILE 113 HG11 ILE 113 6.117 -8.439 -0.683 871 1HG2 ILE 113 HG21 ILE 113 9.211 -6.785 0.404 872 2HG2 ILE 113 HG22 ILE 113 7.500 -6.561 0.034 873 3HG2 ILE 113 HG23 ILE 113 8.646 -6.897 -1.263 874 1HD1 ILE 113 HD11 ILE 113 7.486 -8.001 -2.679 875 2HD1 ILE 113 HD12 ILE 113 6.324 -9.304 -2.921 876 3HD1 ILE 113 HD13 ILE 113 8.027 -9.679 -2.657 877 H THR 114 HN THR 114 11.746 -8.647 -1.101 878 HA THR 114 HA THR 114 12.594 -8.142 1.670 879 HB THR 114 HB THR 114 14.904 -8.472 0.940 880 HG1 THR 114 HG1 THR 114 15.361 -9.135 -1.159 881 1HG2 THR 114 HG21 THR 114 14.810 -10.898 0.496 882 2HG2 THR 114 HG22 THR 114 13.082 -10.753 0.170 883 3HG2 THR 114 HG23 THR 114 13.706 -10.411 1.784 884 H MET 115 HN MET 115 14.650 -6.546 1.465 885 HA MET 115 HA MET 115 13.473 -4.051 0.830 886 1HB MET 115 HB2 MET 115 15.450 -4.815 2.489 887 2HB MET 115 HB1 MET 115 16.419 -4.225 1.148 888 1HG MET 115 HG2 MET 115 14.258 -2.606 2.466 889 2HG MET 115 HG1 MET 115 15.949 -2.573 2.966 890 1HE MET 115 HE1 MET 115 13.862 -0.220 1.828 891 2HE MET 115 HE2 MET 115 15.025 0.799 0.974 892 3HE MET 115 HE3 MET 115 15.419 0.156 2.569 893 H ALA 116 HN ALA 116 15.958 -6.025 -0.728 894 HA ALA 116 HA ALA 116 16.693 -4.315 -2.795 895 1HB ALA 116 HB1 ALA 116 16.488 -7.320 -2.884 896 2HB ALA 116 HB2 ALA 116 17.861 -6.398 -2.271 897 3HB ALA 116 HB3 ALA 116 17.433 -6.310 -3.980 898 H GLN 117 HN GLN 117 14.184 -6.842 -2.829 899 HA GLN 117 HA GLN 117 13.223 -6.395 -5.412 900 1HB GLN 117 HB2 GLN 117 12.090 -7.620 -2.943 901 2HB GLN 117 HB1 GLN 117 10.996 -7.266 -4.272 902 1HG GLN 117 HG2 GLN 117 11.599 -9.447 -4.685 903 2HG GLN 117 HG1 GLN 117 12.703 -8.546 -5.720 904 1HE2 GLN 117 HE21 GLN 117 12.371 -10.569 -2.953 905 2HE2 GLN 117 HE22 GLN 117 14.057 -10.832 -2.681 906 H MET 118 HN MET 118 11.681 -5.288 -2.413 907 HA MET 118 HA MET 118 9.709 -3.732 -3.447 908 1HB MET 118 HB2 MET 118 9.987 -4.239 -1.069 909 2HB MET 118 HB1 MET 118 11.352 -3.136 -0.988 910 1HG MET 118 HG2 MET 118 9.283 -2.178 -0.078 911 2HG MET 118 HG1 MET 118 9.930 -1.257 -1.433 912 1HE MET 118 HE1 MET 118 6.460 -4.232 -2.058 913 2HE MET 118 HE2 MET 118 7.321 -4.112 -0.524 914 3HE MET 118 HE3 MET 118 8.165 -4.681 -1.966 915 H GLU 119 HN GLU 119 13.041 -2.646 -2.792 916 HA GLU 119 HA GLU 119 12.655 0.031 -3.562 917 1HB GLU 119 HB2 GLU 119 15.071 -1.741 -3.393 918 2HB GLU 119 HB1 GLU 119 15.200 -0.105 -4.027 919 1HG GLU 119 HG2 GLU 119 14.050 -0.765 -1.332 920 2HG GLU 119 HG1 GLU 119 15.744 -0.355 -1.609 921 H LEU 120 HN LEU 120 14.234 -2.561 -5.434 922 HA LEU 120 HA LEU 120 14.527 -1.022 -7.767 923 1HB LEU 120 HB2 LEU 120 14.426 -4.015 -7.401 924 2HB LEU 120 HB1 LEU 120 14.938 -3.216 -8.874 925 HG LEU 120 HG LEU 120 16.314 -3.012 -6.191 926 1HD1 LEU 120 HD11 LEU 120 17.121 -4.440 -8.721 927 2HD1 LEU 120 HD12 LEU 120 16.593 -5.201 -7.219 928 3HD1 LEU 120 HD13 LEU 120 18.102 -4.290 -7.262 929 1HD2 LEU 120 HD21 LEU 120 16.542 -0.956 -7.473 930 2HD2 LEU 120 HD22 LEU 120 17.072 -1.876 -8.881 931 3HD2 LEU 120 HD23 LEU 120 18.072 -1.833 -7.429 932 H VAL 121 HN VAL 121 11.946 -3.032 -6.609 933 HA VAL 121 HA VAL 121 10.594 -3.232 -9.115 934 HB VAL 121 HB VAL 121 10.269 -4.267 -6.392 935 1HG1 VAL 121 HG11 VAL 121 7.931 -4.871 -6.649 936 2HG1 VAL 121 HG12 VAL 121 7.829 -3.877 -8.106 937 3HG1 VAL 121 HG13 VAL 121 8.143 -3.126 -6.540 938 1HG2 VAL 121 HG21 VAL 121 11.143 -5.592 -8.223 939 2HG2 VAL 121 HG22 VAL 121 9.642 -5.366 -9.124 940 3HG2 VAL 121 HG23 VAL 121 9.639 -6.282 -7.615 941 H MET 122 HN MET 122 10.117 -1.255 -6.179 942 HA MET 122 HA MET 122 7.718 -0.071 -7.152 943 1HB MET 122 HB2 MET 122 9.452 0.247 -4.813 944 2HB MET 122 HB1 MET 122 8.686 1.742 -5.334 945 1HG MET 122 HG2 MET 122 7.472 0.286 -3.615 946 2HG MET 122 HG1 MET 122 6.543 0.926 -4.970 947 1HE MET 122 HE1 MET 122 5.417 -1.464 -3.218 948 2HE MET 122 HE2 MET 122 4.821 -2.531 -4.491 949 3HE MET 122 HE3 MET 122 4.600 -0.786 -4.626 950 H LYS 123 HN LYS 123 11.119 0.805 -7.387 951 HA LYS 123 HA LYS 123 10.586 3.307 -8.668 952 1HB LYS 123 HB2 LYS 123 13.041 1.616 -8.334 953 2HB LYS 123 HB1 LYS 123 13.049 2.953 -9.474 954 1HG LYS 123 HG2 LYS 123 13.967 3.755 -7.442 955 2HG LYS 123 HG1 LYS 123 12.359 4.458 -7.595 956 1HD LYS 123 HD2 LYS 123 11.485 2.738 -6.068 957 2HD LYS 123 HD1 LYS 123 13.113 2.083 -5.894 958 1HE LYS 123 HE2 LYS 123 13.845 4.299 -5.030 959 2HE LYS 123 HE1 LYS 123 12.164 4.827 -5.077 960 1HZ LYS 123 HZ1 LYS 123 11.663 2.928 -3.564 961 2HZ LYS 123 HZ2 LYS 123 12.637 4.130 -2.878 962 3HZ LYS 123 HZ3 LYS 123 13.327 2.673 -3.399 963 H ALA 124 HN ALA 124 10.794 0.008 -9.683 964 HA ALA 124 HA ALA 124 11.029 0.427 -12.472 965 1HB ALA 124 HB1 ALA 124 11.472 -1.752 -11.614 966 2HB ALA 124 HB2 ALA 124 10.019 -1.883 -12.607 967 3HB ALA 124 HB3 ALA 124 9.887 -1.837 -10.851 968 H ALA 125 HN ALA 125 8.226 -0.063 -10.347 969 HA ALA 125 HA ALA 125 6.238 0.177 -12.325 970 1HB ALA 125 HB1 ALA 125 6.015 0.854 -9.393 971 2HB ALA 125 HB2 ALA 125 5.838 -0.760 -10.083 972 3HB ALA 125 HB3 ALA 125 4.680 0.506 -10.494 973 H GLY 126 HN GLY 126 7.963 2.554 -10.426 974 1HA GLY 126 HA2 GLY 126 8.275 4.780 -11.309 975 2HA GLY 126 HA1 GLY 126 6.671 4.671 -12.020 976 H PHE 127 HN PHE 127 7.456 3.660 -8.764 977 HA PHE 127 HA PHE 127 5.546 5.610 -7.748 978 1HB PHE 127 HB2 PHE 127 6.959 3.304 -6.393 979 2HB PHE 127 HB1 PHE 127 5.770 4.347 -5.621 980 HD1 PHE 127 HD1 PHE 127 3.736 4.594 -7.724 981 HD2 PHE 127 HD2 PHE 127 5.975 1.206 -6.452 982 HE1 PHE 127 HE1 PHE 127 1.920 3.119 -8.477 983 HE2 PHE 127 HE2 PHE 127 4.162 -0.277 -7.206 984 HZ PHE 127 HZ PHE 127 2.133 0.678 -8.220 985 H LYS 128 HN LYS 128 6.128 7.410 -6.677 986 HA LYS 128 HA LYS 128 9.003 7.818 -6.258 987 1HB LYS 128 HB2 LYS 128 7.741 9.388 -7.775 988 2HB LYS 128 HB1 LYS 128 6.839 9.927 -6.366 989 1HG LYS 128 HG2 LYS 128 8.858 10.747 -5.330 990 2HG LYS 128 HG1 LYS 128 9.829 10.106 -6.656 991 1HD LYS 128 HD2 LYS 128 8.630 11.605 -8.212 992 2HD LYS 128 HD1 LYS 128 7.754 12.287 -6.839 993 1HE LYS 128 HE2 LYS 128 9.843 13.041 -5.856 994 2HE LYS 128 HE1 LYS 128 10.750 12.306 -7.177 995 1HZ LYS 128 HZ1 LYS 128 10.523 14.642 -7.567 996 2HZ LYS 128 HZ2 LYS 128 8.837 14.567 -7.386 997 3HZ LYS 128 HZ3 LYS 128 9.583 13.811 -8.709 998 H GLU 129 HN GLU 129 9.809 8.443 -4.308 999 HA GLU 129 HA GLU 129 8.190 7.734 -2.038 1000 1HB GLU 129 HB2 GLU 129 11.082 8.510 -2.323 1001 2HB GLU 129 HB1 GLU 129 10.329 8.199 -0.768 1002 1HG GLU 129 HG2 GLU 129 9.751 5.925 -1.567 1003 2HG GLU 129 HG1 GLU 129 10.673 6.257 -3.035 1004 H VAL 130 HN VAL 130 7.642 8.994 -0.330 1005 HA VAL 130 HA VAL 130 7.889 11.892 -0.625 1006 HB VAL 130 HB VAL 130 6.484 10.323 1.551 1007 1HG1 VAL 130 HG11 VAL 130 5.311 12.415 2.011 1008 2HG1 VAL 130 HG12 VAL 130 6.246 13.219 0.750 1009 3HG1 VAL 130 HG13 VAL 130 7.055 12.607 2.191 1010 1HG2 VAL 130 HG21 VAL 130 5.329 11.542 -0.953 1011 2HG2 VAL 130 HG22 VAL 130 4.398 10.825 0.363 1012 3HG2 VAL 130 HG23 VAL 130 5.478 9.820 -0.603 1013 H LYS 131 HN LYS 131 9.096 9.159 1.038 1014 HA LYS 131 HA LYS 131 10.912 8.776 2.305 1015 1HB LYS 131 HB2 LYS 131 11.566 11.681 1.790 1016 2HB LYS 131 HB1 LYS 131 12.660 10.504 2.511 1017 1HG LYS 131 HG2 LYS 131 12.629 9.187 0.473 1018 2HG LYS 131 HG1 LYS 131 11.468 10.299 -0.249 1019 1HD LYS 131 HD2 LYS 131 13.692 10.767 -1.088 1020 2HD LYS 131 HD1 LYS 131 13.132 12.106 -0.085 1021 1HE LYS 131 HE2 LYS 131 14.499 11.421 1.734 1022 2HE LYS 131 HE1 LYS 131 14.886 9.890 0.950 1023 1HZ LYS 131 HZ1 LYS 131 16.686 11.543 0.812 1024 2HZ LYS 131 HZ2 LYS 131 15.676 12.556 -0.102 1025 3HZ LYS 131 HZ3 LYS 131 16.138 11.044 -0.712 1026 H LEU 132 HN LEU 132 10.019 8.262 4.183 1027 HA LEU 132 HA LEU 132 9.249 10.401 6.030 1028 1HB LEU 132 HB2 LEU 132 7.652 8.505 5.371 1029 2HB LEU 132 HB1 LEU 132 8.671 7.460 6.336 1030 HG LEU 132 HG LEU 132 7.252 9.884 7.450 1031 1HD1 LEU 132 HD11 LEU 132 6.408 6.992 7.539 1032 2HD1 LEU 132 HD12 LEU 132 5.633 8.264 6.600 1033 3HD1 LEU 132 HD13 LEU 132 5.614 8.334 8.359 1034 1HD2 LEU 132 HD21 LEU 132 8.538 7.510 8.795 1035 2HD2 LEU 132 HD22 LEU 132 7.662 8.807 9.609 1036 3HD2 LEU 132 HD23 LEU 132 9.172 9.155 8.763 1037 H GLU 133 HN GLU 133 11.071 10.994 7.064 1038 HA GLU 133 HA GLU 133 12.657 8.894 8.353 1039 1HB GLU 133 HB2 GLU 133 13.884 10.602 7.029 1040 2HB GLU 133 HB1 GLU 133 13.241 11.853 8.082 1041 1HG GLU 133 HG2 GLU 133 14.427 10.012 9.799 1042 2HG GLU 133 HG1 GLU 133 15.538 10.160 8.437 1043 H HIS 134 HN HIS 134 12.666 12.047 9.704 1044 HA HIS 134 HA HIS 134 10.559 11.571 11.639 1045 1HB HIS 134 HB2 HIS 134 13.463 11.827 12.492 1046 2HB HIS 134 HB1 HIS 134 12.095 11.992 13.583 1047 HD1 HIS 134 HD1 HIS 134 10.721 9.799 14.090 1048 HD2 HIS 134 HD2 HIS 134 14.230 9.231 11.923 1049 HE1 HIS 134 HE1 HIS 134 11.204 7.329 14.208 1050 HE2 HIS 134 HE2 HIS 134 13.195 6.986 12.696 1051 H HIS 135 HN HIS 135 13.492 13.523 11.556 1052 HA HIS 135 HA HIS 135 12.476 15.878 10.495 1053 1HB HIS 135 HB2 HIS 135 11.078 15.743 12.660 1054 2HB HIS 135 HB1 HIS 135 12.580 16.095 13.505 1055 HD1 HIS 135 HD1 HIS 135 12.390 18.456 14.238 1056 HD2 HIS 135 HD2 HIS 135 11.094 17.930 10.321 1057 HE1 HIS 135 HE1 HIS 135 11.840 20.761 13.390 1058 HE2 HIS 135 HE2 HIS 135 11.212 20.438 10.967 1059 H HIS 136 HN HIS 136 14.766 13.968 11.192 1060 HA HIS 136 HA HIS 136 16.981 13.922 11.523 1061 1HB HIS 136 HB2 HIS 136 16.455 15.552 9.430 1062 2HB HIS 136 HB1 HIS 136 17.438 16.615 10.436 1063 HD1 HIS 136 HD1 HIS 136 17.569 13.277 8.695 1064 HD2 HIS 136 HD2 HIS 136 20.146 16.015 10.474 1065 HE1 HIS 136 HE1 HIS 136 19.893 12.500 8.114 1066 HE2 HIS 136 HE2 HIS 136 21.412 14.004 9.446 1067 H HIS 137 HN HIS 137 16.762 14.045 13.842 1068 HA HIS 137 HA HIS 137 17.639 16.528 15.056 1069 1HB HIS 137 HB2 HIS 137 16.128 15.033 16.320 1070 2HB HIS 137 HB1 HIS 137 17.344 13.762 16.266 1071 HD1 HIS 137 HD1 HIS 137 18.419 13.541 18.477 1072 HD2 HIS 137 HD2 HIS 137 17.542 17.513 17.585 1073 HE1 HIS 137 HE1 HIS 137 19.276 14.887 20.427 1074 HE2 HIS 137 HE2 HIS 137 18.821 17.292 19.827 1075 H HIS 138 HN HIS 138 19.574 16.916 14.013 1076 HA HIS 138 HA HIS 138 21.545 14.844 13.745 1077 1HB HIS 138 HB2 HIS 138 22.961 16.653 12.744 1078 2HB HIS 138 HB1 HIS 138 21.413 16.422 11.949 1079 HD1 HIS 138 HD1 HIS 138 20.110 18.494 11.522 1080 HD2 HIS 138 HD2 HIS 138 22.930 19.031 14.535 1081 HE1 HIS 138 HE1 HIS 138 20.008 20.929 12.121 1082 HE2 HIS 138 HE2 HIS 138 21.906 21.275 13.733 1083 H HIS 139 HN HIS 139 20.943 17.473 15.923 1084 HA HIS 139 HA HIS 139 22.742 16.507 17.873 1085 1HB HIS 139 HB2 HIS 139 23.838 18.403 15.962 1086 2HB HIS 139 HB1 HIS 139 23.861 19.059 17.595 1087 HD1 HIS 139 HD1 HIS 139 25.107 17.509 19.420 1088 HD2 HIS 139 HD2 HIS 139 25.854 16.636 15.423 1089 HE1 HIS 139 HE1 HIS 139 27.174 16.078 19.414 1090 HE2 HIS 139 HE2 HIS 139 27.520 15.434 16.999 Start of MODEL 5 1 1H MET 1 HT1 MET 1 18.652 -4.362 19.642 2 2H MET 1 HT2 MET 1 20.095 -4.331 18.760 3 3H MET 1 HT3 MET 1 19.583 -5.772 19.493 4 HA MET 1 HA MET 1 19.160 -5.881 17.151 5 1HB MET 1 HB2 MET 1 16.639 -5.450 18.769 6 2HB MET 1 HB1 MET 1 16.696 -6.229 17.194 7 1HG MET 1 HG2 MET 1 18.113 -7.993 18.117 8 2HG MET 1 HG1 MET 1 18.050 -7.213 19.697 9 1HE MET 1 HE1 MET 1 14.226 -7.546 20.567 10 2HE MET 1 HE2 MET 1 14.999 -6.204 19.721 11 3HE MET 1 HE3 MET 1 15.791 -6.944 21.113 12 H GLY 2 HN GLY 2 17.545 -3.108 18.675 13 1HA GLY 2 HA2 GLY 2 18.136 -1.076 17.121 14 2HA GLY 2 HA1 GLY 2 17.073 -1.950 16.027 15 H ASP 3 HN ASP 3 17.136 0.550 18.050 16 HA ASP 3 HA ASP 3 14.785 0.179 19.605 17 1HB ASP 3 HB2 ASP 3 16.427 1.799 20.309 18 2HB ASP 3 HB1 ASP 3 16.270 2.683 18.794 19 H LYS 4 HN LYS 4 15.430 1.704 16.480 20 HA LYS 4 HA LYS 4 12.510 1.872 16.070 21 1HB LYS 4 HB2 LYS 4 14.679 3.628 14.903 22 2HB LYS 4 HB1 LYS 4 12.990 3.685 14.430 23 1HG LYS 4 HG2 LYS 4 14.142 4.371 17.122 24 2HG LYS 4 HG1 LYS 4 13.436 5.481 15.946 25 1HD LYS 4 HD2 LYS 4 11.288 4.167 16.192 26 2HD LYS 4 HD1 LYS 4 12.041 3.360 17.568 27 1HE LYS 4 HE2 LYS 4 11.349 6.271 17.262 28 2HE LYS 4 HE1 LYS 4 10.758 5.129 18.467 29 1HZ LYS 4 HZ1 LYS 4 12.339 6.457 19.552 30 2HZ LYS 4 HZ2 LYS 4 13.442 6.357 18.275 31 3HZ LYS 4 HZ3 LYS 4 13.152 4.995 19.244 32 H GLU 5 HN GLU 5 11.674 1.185 14.134 33 HA GLU 5 HA GLU 5 13.445 -0.419 12.419 34 1HB GLU 5 HB2 GLU 5 10.419 -0.230 12.486 35 2HB GLU 5 HB1 GLU 5 11.364 -1.356 11.519 36 1HG GLU 5 HG2 GLU 5 12.241 -2.374 13.568 37 2HG GLU 5 HG1 GLU 5 11.275 -1.259 14.531 38 H GLU 6 HN GLU 6 12.369 -0.256 9.975 39 HA GLU 6 HA GLU 6 12.996 2.552 9.369 40 1HB GLU 6 HB2 GLU 6 13.417 0.001 7.819 41 2HB GLU 6 HB1 GLU 6 13.555 1.581 7.070 42 1HG GLU 6 HG2 GLU 6 15.735 0.775 7.638 43 2HG GLU 6 HG1 GLU 6 15.344 2.156 8.656 44 H SER 7 HN SER 7 11.567 3.792 8.298 45 HA SER 7 HA SER 7 9.159 2.464 7.251 46 1HB SER 7 HB2 SER 7 9.296 5.164 8.611 47 2HB SER 7 HB1 SER 7 7.839 4.355 8.031 48 HG SER 7 HG SER 7 9.344 2.803 9.708 49 H LYS 8 HN LYS 8 9.013 2.659 5.149 50 HA LYS 8 HA LYS 8 10.081 5.075 3.841 51 1HB LYS 8 HB2 LYS 8 9.939 2.207 2.975 52 2HB LYS 8 HB1 LYS 8 10.061 3.486 1.787 53 1HG LYS 8 HG2 LYS 8 12.015 2.973 4.004 54 2HG LYS 8 HG1 LYS 8 12.237 2.516 2.315 55 1HD LYS 8 HD2 LYS 8 11.798 5.079 1.923 56 2HD LYS 8 HD1 LYS 8 12.328 5.201 3.602 57 1HE LYS 8 HE2 LYS 8 14.290 5.485 2.347 58 2HE LYS 8 HE1 LYS 8 14.346 3.803 2.874 59 1HZ LYS 8 HZ1 LYS 8 13.364 4.706 0.217 60 2HZ LYS 8 HZ2 LYS 8 13.580 3.098 0.715 61 3HZ LYS 8 HZ3 LYS 8 14.924 4.106 0.510 62 H LYS 9 HN LYS 9 8.341 6.393 3.649 63 HA LYS 9 HA LYS 9 5.839 5.275 2.607 64 1HB LYS 9 HB2 LYS 9 5.664 6.696 4.607 65 2HB LYS 9 HB1 LYS 9 6.421 8.022 3.737 66 1HG LYS 9 HG2 LYS 9 4.508 7.943 2.124 67 2HG LYS 9 HG1 LYS 9 3.731 6.784 3.202 68 1HD LYS 9 HD2 LYS 9 4.606 9.554 4.015 69 2HD LYS 9 HD1 LYS 9 2.969 9.133 3.518 70 1HE LYS 9 HE2 LYS 9 4.433 7.881 5.838 71 2HE LYS 9 HE1 LYS 9 3.294 9.216 5.984 72 1HZ LYS 9 HZ1 LYS 9 2.125 7.237 6.466 73 2HZ LYS 9 HZ2 LYS 9 2.721 6.444 5.093 74 3HZ LYS 9 HZ3 LYS 9 1.611 7.717 4.923 75 H PHE 10 HN PHE 10 5.743 5.214 0.450 76 HA PHE 10 HA PHE 10 6.626 7.629 -1.000 77 1HB PHE 10 HB2 PHE 10 7.136 6.344 -2.874 78 2HB PHE 10 HB1 PHE 10 7.576 5.241 -1.582 79 HD1 PHE 10 HD1 PHE 10 6.220 3.273 -1.117 80 HD2 PHE 10 HD2 PHE 10 5.231 5.933 -4.285 81 HE1 PHE 10 HE1 PHE 10 4.707 1.583 -2.065 82 HE2 PHE 10 HE2 PHE 10 3.715 4.249 -5.234 83 HZ PHE 10 HZ PHE 10 3.451 2.069 -4.125 84 H SER 11 HN SER 11 5.162 8.273 -2.812 85 HA SER 11 HA SER 11 2.531 7.100 -2.834 86 1HB SER 11 HB2 SER 11 2.346 8.674 -0.933 87 2HB SER 11 HB1 SER 11 2.817 9.995 -1.990 88 HG SER 11 HG SER 11 0.577 8.337 -2.484 89 H ALA 12 HN ALA 12 1.875 7.050 -4.841 90 HA ALA 12 HA ALA 12 2.740 9.182 -6.681 91 1HB ALA 12 HB1 ALA 12 3.956 7.103 -7.158 92 2HB ALA 12 HB2 ALA 12 2.859 7.522 -8.473 93 3HB ALA 12 HB3 ALA 12 2.424 6.249 -7.333 94 H ASN 13 HN ASN 13 1.202 9.945 -8.104 95 HA ASN 13 HA ASN 13 -1.552 9.161 -7.448 96 1HB ASN 13 HB2 ASN 13 -0.806 11.592 -7.295 97 2HB ASN 13 HB1 ASN 13 -0.684 11.575 -9.049 98 1HD2 ASN 13 HD21 ASN 13 -2.758 11.672 -6.329 99 2HD2 ASN 13 HD22 ASN 13 -4.249 11.876 -7.187 100 H LEU 14 HN LEU 14 -2.045 7.447 -8.716 101 HA LEU 14 HA LEU 14 -1.785 7.833 -11.610 102 1HB LEU 14 HB2 LEU 14 -1.178 5.384 -11.794 103 2HB LEU 14 HB1 LEU 14 0.069 6.455 -11.195 104 HG LEU 14 HG LEU 14 -0.772 5.675 -8.840 105 1HD1 LEU 14 HD11 LEU 14 -2.721 4.445 -9.649 106 2HD1 LEU 14 HD12 LEU 14 -1.591 3.392 -8.801 107 3HD1 LEU 14 HD13 LEU 14 -1.664 3.369 -10.563 108 1HD2 LEU 14 HD21 LEU 14 0.839 3.900 -10.665 109 2HD2 LEU 14 HD22 LEU 14 0.834 3.831 -8.901 110 3HD2 LEU 14 HD23 LEU 14 1.447 5.264 -9.728 111 H ASN 15 HN ASN 15 -3.409 6.993 -12.840 112 HA ASN 15 HA ASN 15 -5.484 6.241 -13.381 113 1HB ASN 15 HB2 ASN 15 -4.570 4.106 -12.365 114 2HB ASN 15 HB1 ASN 15 -5.365 4.562 -10.862 115 1HD2 ASN 15 HD21 ASN 15 -6.716 2.797 -10.861 116 2HD2 ASN 15 HD22 ASN 15 -8.023 2.605 -11.981 117 H GLY 16 HN GLY 16 -4.915 8.426 -11.332 118 1HA GLY 16 HA2 GLY 16 -6.310 10.046 -10.423 119 2HA GLY 16 HA1 GLY 16 -7.679 8.977 -10.689 120 H THR 17 HN THR 17 -5.279 7.254 -9.160 121 HA THR 17 HA THR 17 -6.511 7.776 -6.540 122 HB THR 17 HB THR 17 -5.722 5.407 -6.002 123 HG1 THR 17 HG1 THR 17 -4.656 5.564 -8.384 124 1HG2 THR 17 HG21 THR 17 -7.873 5.782 -8.088 125 2HG2 THR 17 HG22 THR 17 -8.071 5.976 -6.348 126 3HG2 THR 17 HG23 THR 17 -7.704 4.389 -7.021 127 H GLU 18 HN GLU 18 -5.241 8.159 -4.800 128 HA GLU 18 HA GLU 18 -2.385 8.529 -5.306 129 1HB GLU 18 HB2 GLU 18 -3.675 9.154 -2.679 130 2HB GLU 18 HB1 GLU 18 -2.323 9.946 -3.470 131 1HG GLU 18 HG2 GLU 18 -3.953 10.836 -5.151 132 2HG GLU 18 HG1 GLU 18 -5.239 10.208 -4.118 133 H ILE 19 HN ILE 19 -1.456 6.519 -5.192 134 HA ILE 19 HA ILE 19 -2.119 4.846 -2.896 135 HB ILE 19 HB ILE 19 -0.353 4.233 -5.275 136 1HG1 ILE 19 HG12 ILE 19 -3.190 3.471 -4.555 137 2HG1 ILE 19 HG11 ILE 19 -2.659 4.406 -5.946 138 1HG2 ILE 19 HG21 ILE 19 -0.395 1.921 -4.463 139 2HG2 ILE 19 HG22 ILE 19 -1.302 2.436 -3.041 140 3HG2 ILE 19 HG23 ILE 19 0.350 3.003 -3.286 141 1HD1 ILE 19 HD11 ILE 19 -2.120 1.488 -5.457 142 2HD1 ILE 19 HD12 ILE 19 -1.548 2.418 -6.845 143 3HD1 ILE 19 HD13 ILE 19 -3.279 2.167 -6.601 144 H ALA 20 HN ALA 20 -1.135 5.424 -1.117 145 HA ALA 20 HA ALA 20 1.753 5.984 -1.234 146 1HB ALA 20 HB1 ALA 20 1.287 7.085 1.053 147 2HB ALA 20 HB2 ALA 20 -0.397 7.092 0.535 148 3HB ALA 20 HB3 ALA 20 0.816 7.944 -0.409 149 H ILE 21 HN ILE 21 2.858 4.270 -0.637 150 HA ILE 21 HA ILE 21 1.703 2.488 1.399 151 HB ILE 21 HB ILE 21 3.801 1.861 -0.687 152 1HG1 ILE 21 HG12 ILE 21 0.908 0.983 -0.476 153 2HG1 ILE 21 HG11 ILE 21 1.540 2.145 -1.634 154 1HG2 ILE 21 HG21 ILE 21 2.455 0.059 1.321 155 2HG2 ILE 21 HG22 ILE 21 4.137 0.587 1.361 156 3HG2 ILE 21 HG23 ILE 21 3.573 -0.458 0.057 157 1HD1 ILE 21 HD11 ILE 21 1.215 -0.017 -2.670 158 2HD1 ILE 21 HD12 ILE 21 2.268 -0.769 -1.473 159 3HD1 ILE 21 HD13 ILE 21 2.930 0.392 -2.625 160 H THR 22 HN THR 22 2.624 2.456 3.301 161 HA THR 22 HA THR 22 5.286 3.625 3.647 162 HB THR 22 HB THR 22 3.320 2.895 5.824 163 HG1 THR 22 HG1 THR 22 2.227 4.418 4.671 164 1HG2 THR 22 HG21 THR 22 5.633 3.256 6.544 165 2HG2 THR 22 HG22 THR 22 4.587 4.554 7.119 166 3HG2 THR 22 HG23 THR 22 5.647 4.821 5.735 167 H TYR 23 HN TYR 23 6.734 2.040 3.273 168 HA TYR 23 HA TYR 23 6.308 -0.667 4.169 169 1HB TYR 23 HB2 TYR 23 8.785 0.613 2.990 170 2HB TYR 23 HB1 TYR 23 8.523 -1.110 3.215 171 HD1 TYR 23 HD1 TYR 23 6.803 -2.280 1.834 172 HD2 TYR 23 HD2 TYR 23 7.938 1.749 1.098 173 HE1 TYR 23 HE1 TYR 23 5.840 -2.427 -0.422 174 HE2 TYR 23 HE2 TYR 23 6.978 1.622 -1.159 175 HH TYR 23 HH TYR 23 6.349 0.016 -2.803 176 H VAL 24 HN VAL 24 6.450 -1.010 6.313 177 HA VAL 24 HA VAL 24 8.692 0.155 7.779 178 HB VAL 24 HB VAL 24 6.330 -1.491 8.702 179 1HG1 VAL 24 HG11 VAL 24 8.669 -0.505 10.345 180 2HG1 VAL 24 HG12 VAL 24 8.307 -2.191 9.974 181 3HG1 VAL 24 HG13 VAL 24 7.206 -1.254 10.983 182 1HG2 VAL 24 HG21 VAL 24 7.249 1.319 9.294 183 2HG2 VAL 24 HG22 VAL 24 5.844 0.533 10.017 184 3HG2 VAL 24 HG23 VAL 24 5.877 0.858 8.283 185 H TYR 25 HN TYR 25 10.531 -0.832 7.389 186 HA TYR 25 HA TYR 25 10.534 -3.767 7.380 187 1HB TYR 25 HB2 TYR 25 12.147 -3.823 5.612 188 2HB TYR 25 HB1 TYR 25 10.823 -2.798 5.084 189 HD1 TYR 25 HD1 TYR 25 14.354 -2.974 5.899 190 HD2 TYR 25 HD2 TYR 25 11.166 -0.329 4.895 191 HE1 TYR 25 HE1 TYR 25 15.987 -1.229 5.325 192 HE2 TYR 25 HE2 TYR 25 12.802 1.405 4.330 193 HH TYR 25 HH TYR 25 15.997 0.861 3.786 194 H LYS 26 HN LYS 26 12.631 -4.697 7.883 195 HA LYS 26 HA LYS 26 14.406 -2.954 9.453 196 1HB LYS 26 HB2 LYS 26 12.664 -4.923 10.540 197 2HB LYS 26 HB1 LYS 26 14.303 -5.549 10.664 198 1HG LYS 26 HG2 LYS 26 13.578 -2.785 11.566 199 2HG LYS 26 HG1 LYS 26 13.431 -4.194 12.616 200 1HD LYS 26 HD2 LYS 26 15.760 -4.616 12.530 201 2HD LYS 26 HD1 LYS 26 15.988 -3.471 11.204 202 1HE LYS 26 HE2 LYS 26 14.845 -2.521 13.787 203 2HE LYS 26 HE1 LYS 26 16.582 -2.797 13.662 204 1HZ LYS 26 HZ1 LYS 26 16.823 -1.122 12.128 205 2HZ LYS 26 HZ2 LYS 26 15.602 -0.478 13.105 206 3HZ LYS 26 HZ3 LYS 26 15.216 -1.179 11.614 207 H GLY 27 HN GLY 27 16.396 -3.147 8.576 208 1HA GLY 27 HA2 GLY 27 18.210 -4.091 7.485 209 2HA GLY 27 HA1 GLY 27 17.488 -5.674 7.758 210 H ASP 28 HN ASP 28 16.957 -6.723 5.940 211 HA ASP 28 HA ASP 28 15.978 -5.094 3.678 212 1HB ASP 28 HB2 ASP 28 18.082 -6.554 3.342 213 2HB ASP 28 HB1 ASP 28 16.983 -7.928 3.408 214 H LYS 29 HN LYS 29 14.810 -6.613 6.189 215 HA LYS 29 HA LYS 29 12.827 -8.250 4.784 216 1HB LYS 29 HB2 LYS 29 14.175 -8.794 7.063 217 2HB LYS 29 HB1 LYS 29 12.756 -8.011 7.734 218 1HG LYS 29 HG2 LYS 29 11.326 -9.606 6.515 219 2HG LYS 29 HG1 LYS 29 12.780 -10.431 5.948 220 1HD LYS 29 HD2 LYS 29 11.831 -10.138 8.796 221 2HD LYS 29 HD1 LYS 29 11.931 -11.622 7.849 222 1HE LYS 29 HE2 LYS 29 14.253 -9.919 8.738 223 2HE LYS 29 HE1 LYS 29 13.774 -11.463 9.439 224 1HZ LYS 29 HZ1 LYS 29 14.259 -12.536 7.332 225 2HZ LYS 29 HZ2 LYS 29 15.622 -11.703 7.903 226 3HZ LYS 29 HZ3 LYS 29 14.698 -11.048 6.644 227 H VAL 30 HN VAL 30 11.180 -7.001 4.040 228 HA VAL 30 HA VAL 30 10.182 -4.772 5.557 229 HB VAL 30 HB VAL 30 8.763 -6.158 3.278 230 1HG1 VAL 30 HG11 VAL 30 7.746 -3.918 2.988 231 2HG1 VAL 30 HG12 VAL 30 8.584 -3.387 4.448 232 3HG1 VAL 30 HG13 VAL 30 7.365 -4.659 4.542 233 1HG2 VAL 30 HG21 VAL 30 11.000 -5.547 2.536 234 2HG2 VAL 30 HG22 VAL 30 10.772 -3.908 3.149 235 3HG2 VAL 30 HG23 VAL 30 9.795 -4.491 1.799 236 H LEU 31 HN LEU 31 8.991 -5.006 7.322 237 HA LEU 31 HA LEU 31 7.840 -7.630 7.845 238 1HB LEU 31 HB2 LEU 31 8.270 -5.283 9.693 239 2HB LEU 31 HB1 LEU 31 7.722 -6.879 10.175 240 HG LEU 31 HG LEU 31 10.414 -6.257 8.955 241 1HD1 LEU 31 HD11 LEU 31 9.666 -6.974 11.780 242 2HD1 LEU 31 HD12 LEU 31 10.241 -5.402 11.220 243 3HD1 LEU 31 HD13 LEU 31 11.306 -6.809 11.157 244 1HD2 LEU 31 HD21 LEU 31 9.285 -8.827 10.050 245 2HD2 LEU 31 HD22 LEU 31 10.949 -8.578 9.523 246 3HD2 LEU 31 HD23 LEU 31 9.630 -8.477 8.356 247 H LYS 32 HN LYS 32 6.857 -4.233 7.683 248 HA LYS 32 HA LYS 32 4.099 -5.205 7.400 249 1HB LYS 32 HB2 LYS 32 4.996 -2.832 9.033 250 2HB LYS 32 HB1 LYS 32 3.327 -3.110 8.558 251 1HG LYS 32 HG2 LYS 32 3.432 -5.298 9.747 252 2HG LYS 32 HG1 LYS 32 5.029 -4.836 10.340 253 1HD LYS 32 HD2 LYS 32 4.053 -2.864 11.416 254 2HD LYS 32 HD1 LYS 32 2.458 -3.327 10.822 255 1HE LYS 32 HE2 LYS 32 4.181 -4.917 12.719 256 2HE LYS 32 HE1 LYS 32 2.760 -3.971 13.157 257 1HZ LYS 32 HZ1 LYS 32 2.088 -6.216 12.999 258 2HZ LYS 32 HZ2 LYS 32 2.862 -6.439 11.509 259 3HZ LYS 32 HZ3 LYS 32 1.482 -5.458 11.607 260 H GLN 33 HN GLN 33 3.278 -4.643 5.535 261 HA GLN 33 HA GLN 33 4.322 -2.259 4.169 262 1HB GLN 33 HB2 GLN 33 4.519 -4.427 2.955 263 2HB GLN 33 HB1 GLN 33 2.770 -4.589 3.012 264 1HG GLN 33 HG2 GLN 33 2.599 -2.461 1.738 265 2HG GLN 33 HG1 GLN 33 4.352 -2.481 1.565 266 1HE2 GLN 33 HE21 GLN 33 1.357 -3.888 0.578 267 2HE2 GLN 33 HE22 GLN 33 1.988 -4.848 -0.714 268 H SER 34 HN SER 34 3.058 -0.669 5.066 269 HA SER 34 HA SER 34 0.188 -1.010 5.176 270 1HB SER 34 HB2 SER 34 1.903 1.406 5.806 271 2HB SER 34 HB1 SER 34 0.179 1.257 6.143 272 HG SER 34 HG SER 34 0.586 -0.085 7.759 273 H SER 35 HN SER 35 -0.659 -1.094 3.178 274 HA SER 35 HA SER 35 0.205 0.855 1.176 275 1HB SER 35 HB2 SER 35 -1.614 -1.548 0.854 276 2HB SER 35 HB1 SER 35 -0.891 -0.591 -0.439 277 HG SER 35 HG SER 35 0.923 -1.641 -0.199 278 H GLU 36 HN GLU 36 -0.853 2.728 1.556 279 HA GLU 36 HA GLU 36 -3.718 2.638 2.142 280 1HB GLU 36 HB2 GLU 36 -1.781 4.944 2.244 281 2HB GLU 36 HB1 GLU 36 -3.455 4.992 2.770 282 1HG GLU 36 HG2 GLU 36 -2.966 3.388 4.525 283 2HG GLU 36 HG1 GLU 36 -1.298 3.266 3.968 284 H THR 37 HN THR 37 -4.944 2.610 0.405 285 HA THR 37 HA THR 37 -4.073 4.004 -2.028 286 HB THR 37 HB THR 37 -6.376 2.073 -1.699 287 HG1 THR 37 HG1 THR 37 -4.997 0.482 -2.078 288 1HG2 THR 37 HG21 THR 37 -4.912 3.018 -4.161 289 2HG2 THR 37 HG22 THR 37 -6.529 3.520 -3.671 290 3HG2 THR 37 HG23 THR 37 -6.225 1.842 -4.121 291 H LYS 38 HN LYS 38 -4.715 6.111 -1.976 292 HA LYS 38 HA LYS 38 -7.280 6.817 -0.806 293 1HB LYS 38 HB2 LYS 38 -5.151 8.182 -0.515 294 2HB LYS 38 HB1 LYS 38 -5.359 8.672 -2.192 295 1HG LYS 38 HG2 LYS 38 -7.579 9.584 -1.610 296 2HG LYS 38 HG1 LYS 38 -7.268 9.181 0.081 297 1HD LYS 38 HD2 LYS 38 -5.721 11.108 -1.647 298 2HD LYS 38 HD1 LYS 38 -6.770 11.508 -0.288 299 1HE LYS 38 HE2 LYS 38 -5.275 10.496 1.265 300 2HE LYS 38 HE1 LYS 38 -4.308 9.801 -0.033 301 1HZ LYS 38 HZ1 LYS 38 -4.564 12.676 0.668 302 2HZ LYS 38 HZ2 LYS 38 -3.782 12.112 -0.725 303 3HZ LYS 38 HZ3 LYS 38 -3.175 11.710 0.803 304 H ILE 39 HN ILE 39 -8.992 6.417 -2.015 305 HA ILE 39 HA ILE 39 -8.810 6.808 -4.918 306 HB ILE 39 HB ILE 39 -10.917 5.305 -3.350 307 1HG1 ILE 39 HG12 ILE 39 -8.581 4.207 -4.934 308 2HG1 ILE 39 HG11 ILE 39 -8.666 4.265 -3.178 309 1HG2 ILE 39 HG21 ILE 39 -10.333 5.414 -6.309 310 2HG2 ILE 39 HG22 ILE 39 -11.724 6.124 -5.489 311 3HG2 ILE 39 HG23 ILE 39 -11.530 4.372 -5.540 312 1HD1 ILE 39 HD11 ILE 39 -10.503 2.709 -4.981 313 2HD1 ILE 39 HD12 ILE 39 -10.590 2.769 -3.221 314 3HD1 ILE 39 HD13 ILE 39 -9.186 2.050 -4.012 315 H GLN 40 HN GLN 40 -9.439 8.817 -5.457 316 HA GLN 40 HA GLN 40 -11.456 10.306 -4.138 317 1HB GLN 40 HB2 GLN 40 -10.131 10.504 -6.828 318 2HB GLN 40 HB1 GLN 40 -11.516 11.516 -6.453 319 1HG GLN 40 HG2 GLN 40 -9.519 12.755 -6.052 320 2HG GLN 40 HG1 GLN 40 -10.290 12.415 -4.507 321 1HE2 GLN 40 HE21 GLN 40 -8.368 12.764 -3.420 322 2HE2 GLN 40 HE22 GLN 40 -7.059 11.631 -3.456 323 H PHE 41 HN PHE 41 -13.608 10.772 -4.870 324 HA PHE 41 HA PHE 41 -15.035 8.442 -5.621 325 1HB PHE 41 HB2 PHE 41 -15.783 11.300 -5.139 326 2HB PHE 41 HB1 PHE 41 -16.957 10.205 -5.863 327 HD1 PHE 41 HD1 PHE 41 -14.452 9.177 -3.356 328 HD2 PHE 41 HD2 PHE 41 -18.511 10.223 -4.082 329 HE1 PHE 41 HE1 PHE 41 -15.062 8.338 -1.126 330 HE2 PHE 41 HE2 PHE 41 -19.126 9.385 -1.857 331 HZ PHE 41 HZ PHE 41 -17.403 8.443 -0.374 332 H ALA 42 HN ALA 42 -13.830 11.193 -7.392 333 HA ALA 42 HA ALA 42 -15.297 10.689 -9.787 334 1HB ALA 42 HB1 ALA 42 -14.320 12.881 -9.299 335 2HB ALA 42 HB2 ALA 42 -13.741 12.246 -10.839 336 3HB ALA 42 HB3 ALA 42 -12.704 12.187 -9.414 337 H SER 43 HN SER 43 -12.562 9.236 -8.335 338 HA SER 43 HA SER 43 -11.475 8.205 -10.816 339 1HB SER 43 HB2 SER 43 -10.629 7.524 -7.999 340 2HB SER 43 HB1 SER 43 -9.681 7.373 -9.480 341 HG SER 43 HG SER 43 -9.059 9.254 -8.418 342 H ILE 44 HN ILE 44 -13.337 7.085 -8.051 343 HA ILE 44 HA ILE 44 -13.317 4.338 -8.960 344 HB ILE 44 HB ILE 44 -13.365 4.572 -6.599 345 1HG1 ILE 44 HG12 ILE 44 -16.096 3.800 -7.641 346 2HG1 ILE 44 HG11 ILE 44 -14.729 2.735 -7.341 347 1HG2 ILE 44 HG21 ILE 44 -15.099 5.805 -5.386 348 2HG2 ILE 44 HG22 ILE 44 -15.781 6.340 -6.923 349 3HG2 ILE 44 HG23 ILE 44 -14.162 6.854 -6.451 350 1HD1 ILE 44 HD11 ILE 44 -14.931 3.146 -4.949 351 2HD1 ILE 44 HD12 ILE 44 -16.433 2.515 -5.624 352 3HD1 ILE 44 HD13 ILE 44 -16.289 4.231 -5.247 353 H GLY 45 HN GLY 45 -15.363 7.136 -9.198 354 1HA GLY 45 HA2 GLY 45 -17.177 7.442 -10.636 355 2HA GLY 45 HA1 GLY 45 -17.176 5.713 -10.969 356 H ALA 46 HN ALA 46 -17.205 7.275 -7.824 357 HA ALA 46 HA ALA 46 -19.626 5.773 -7.152 358 1HB ALA 46 HB1 ALA 46 -17.664 5.548 -5.683 359 2HB ALA 46 HB2 ALA 46 -19.060 6.215 -4.836 360 3HB ALA 46 HB3 ALA 46 -17.743 7.276 -5.337 361 H THR 47 HN THR 47 -21.285 6.809 -5.839 362 HA THR 47 HA THR 47 -21.800 9.537 -6.786 363 HB THR 47 HB THR 47 -23.721 7.723 -5.321 364 HG1 THR 47 HG1 THR 47 -22.727 7.032 -7.514 365 1HG2 THR 47 HG21 THR 47 -25.419 9.120 -6.419 366 2HG2 THR 47 HG22 THR 47 -24.141 10.099 -7.139 367 3HG2 THR 47 HG23 THR 47 -24.357 10.080 -5.388 368 H THR 48 HN THR 48 -22.531 7.793 -3.763 369 HA THR 48 HA THR 48 -21.519 10.107 -2.259 370 HB THR 48 HB THR 48 -23.145 9.435 -0.461 371 HG1 THR 48 HG1 THR 48 -24.509 7.829 -0.787 372 1HG2 THR 48 HG21 THR 48 -24.346 10.239 -3.113 373 2HG2 THR 48 HG22 THR 48 -23.599 11.325 -1.941 374 3HG2 THR 48 HG23 THR 48 -25.088 10.474 -1.530 375 H LYS 49 HN LYS 49 -21.320 9.163 0.245 376 HA LYS 49 HA LYS 49 -18.995 7.541 0.004 377 1HB LYS 49 HB2 LYS 49 -18.841 7.700 2.448 378 2HB LYS 49 HB1 LYS 49 -19.097 9.271 1.703 379 1HG LYS 49 HG2 LYS 49 -21.473 9.156 2.316 380 2HG LYS 49 HG1 LYS 49 -21.180 7.597 3.092 381 1HD LYS 49 HD2 LYS 49 -21.190 9.347 4.766 382 2HD LYS 49 HD1 LYS 49 -19.559 8.694 4.604 383 1HE LYS 49 HE2 LYS 49 -19.386 11.075 4.742 384 2HE LYS 49 HE1 LYS 49 -19.024 10.599 3.086 385 1HZ LYS 49 HZ1 LYS 49 -21.477 11.095 2.651 386 2HZ LYS 49 HZ2 LYS 49 -20.433 12.414 2.861 387 3HZ LYS 49 HZ3 LYS 49 -21.449 11.925 4.127 388 H GLU 50 HN GLU 50 -22.323 6.909 0.937 389 HA GLU 50 HA GLU 50 -21.904 4.258 1.882 390 1HB GLU 50 HB2 GLU 50 -24.442 4.983 0.472 391 2HB GLU 50 HB1 GLU 50 -24.214 4.029 1.929 392 1HG GLU 50 HG2 GLU 50 -25.205 5.933 2.744 393 2HG GLU 50 HG1 GLU 50 -23.494 6.282 2.988 394 H ASP 51 HN ASP 51 -22.740 5.644 -1.239 395 HA ASP 51 HA ASP 51 -23.023 3.309 -2.744 396 1HB ASP 51 HB2 ASP 51 -23.702 5.498 -3.575 397 2HB ASP 51 HB1 ASP 51 -22.031 6.044 -3.568 398 H ALA 52 HN ALA 52 -20.170 5.247 -2.000 399 HA ALA 52 HA ALA 52 -18.342 3.813 -3.597 400 1HB ALA 52 HB1 ALA 52 -17.795 5.394 -1.085 401 2HB ALA 52 HB2 ALA 52 -17.894 6.058 -2.716 402 3HB ALA 52 HB3 ALA 52 -16.611 4.921 -2.304 403 H ALA 53 HN ALA 53 -19.271 3.471 -0.175 404 HA ALA 53 HA ALA 53 -17.350 1.535 0.482 405 1HB ALA 53 HB1 ALA 53 -18.676 1.034 2.425 406 2HB ALA 53 HB2 ALA 53 -20.074 1.852 1.721 407 3HB ALA 53 HB3 ALA 53 -18.641 2.781 2.163 408 H LYS 54 HN LYS 54 -20.684 1.171 -0.673 409 HA LYS 54 HA LYS 54 -20.758 -1.634 -0.469 410 1HB LYS 54 HB2 LYS 54 -22.319 0.300 -2.175 411 2HB LYS 54 HB1 LYS 54 -22.652 -1.429 -2.140 412 1HG LYS 54 HG2 LYS 54 -23.153 -1.333 0.212 413 2HG LYS 54 HG1 LYS 54 -22.684 0.366 0.278 414 1HD LYS 54 HD2 LYS 54 -24.941 -0.698 -1.412 415 2HD LYS 54 HD1 LYS 54 -25.151 -0.025 0.206 416 1HE LYS 54 HE2 LYS 54 -24.070 2.075 -0.631 417 2HE LYS 54 HE1 LYS 54 -24.127 1.383 -2.253 418 1HZ LYS 54 HZ1 LYS 54 -26.480 1.898 -0.511 419 2HZ LYS 54 HZ2 LYS 54 -26.531 1.243 -2.074 420 3HZ LYS 54 HZ3 LYS 54 -26.009 2.844 -1.839 421 H THR 55 HN THR 55 -19.038 0.343 -2.597 422 HA THR 55 HA THR 55 -18.719 -1.794 -4.562 423 HB THR 55 HB THR 55 -17.600 1.016 -4.602 424 HG1 THR 55 HG1 THR 55 -19.398 1.593 -5.652 425 1HG2 THR 55 HG21 THR 55 -16.328 -0.564 -5.985 426 2HG2 THR 55 HG22 THR 55 -17.215 0.590 -6.982 427 3HG2 THR 55 HG23 THR 55 -17.819 -1.058 -6.790 428 H LEU 56 HN LEU 56 -16.802 0.154 -2.261 429 HA LEU 56 HA LEU 56 -14.369 -1.201 -3.065 430 1HB LEU 56 HB2 LEU 56 -14.782 0.887 -0.934 431 2HB LEU 56 HB1 LEU 56 -13.235 0.287 -1.505 432 HG LEU 56 HG LEU 56 -15.232 1.816 -3.176 433 1HD1 LEU 56 HD11 LEU 56 -12.596 2.675 -1.991 434 2HD1 LEU 56 HD12 LEU 56 -14.191 3.205 -1.456 435 3HD1 LEU 56 HD13 LEU 56 -13.611 3.635 -3.065 436 1HD2 LEU 56 HD21 LEU 56 -12.434 0.874 -3.792 437 2HD2 LEU 56 HD22 LEU 56 -13.422 1.906 -4.824 438 3HD2 LEU 56 HD23 LEU 56 -13.922 0.246 -4.499 439 H GLU 57 HN GLU 57 -16.687 -1.536 -0.487 440 HA GLU 57 HA GLU 57 -15.011 -2.756 1.398 441 1HB GLU 57 HB2 GLU 57 -17.961 -3.156 0.904 442 2HB GLU 57 HB1 GLU 57 -17.094 -3.900 2.242 443 1HG GLU 57 HG2 GLU 57 -16.389 -1.554 2.876 444 2HG GLU 57 HG1 GLU 57 -17.602 -0.992 1.736 445 HA PRO 58 HA PRO 58 -16.106 -6.996 -1.036 446 1HB PRO 58 HB2 PRO 58 -16.425 -5.614 -3.650 447 2HB PRO 58 HB1 PRO 58 -17.209 -7.076 -3.049 448 1HG PRO 58 HG2 PRO 58 -18.483 -4.708 -3.177 449 2HG PRO 58 HG1 PRO 58 -18.828 -5.911 -1.924 450 1HD PRO 58 HD2 PRO 58 -17.418 -3.320 -1.702 451 2HD PRO 58 HD1 PRO 58 -18.265 -4.266 -0.469 452 H LEU 59 HN LEU 59 -14.588 -4.101 -2.349 453 HA LEU 59 HA LEU 59 -12.560 -5.364 -3.853 454 1HB LEU 59 HB2 LEU 59 -13.160 -3.060 -4.256 455 2HB LEU 59 HB1 LEU 59 -12.718 -2.612 -2.621 456 HG LEU 59 HG LEU 59 -10.345 -3.279 -3.208 457 1HD1 LEU 59 HD11 LEU 59 -10.865 -4.642 -5.152 458 2HD1 LEU 59 HD12 LEU 59 -9.781 -3.318 -5.578 459 3HD1 LEU 59 HD13 LEU 59 -11.492 -3.221 -5.989 460 1HD2 LEU 59 HD21 LEU 59 -11.044 -0.957 -3.056 461 2HD2 LEU 59 HD22 LEU 59 -11.618 -1.005 -4.722 462 3HD2 LEU 59 HD23 LEU 59 -9.897 -1.174 -4.377 463 H SER 60 HN SER 60 -12.283 -3.648 -0.727 464 HA SER 60 HA SER 60 -9.648 -4.503 -0.234 465 1HB SER 60 HB2 SER 60 -11.636 -3.750 1.904 466 2HB SER 60 HB1 SER 60 -9.891 -3.502 1.899 467 HG SER 60 HG SER 60 -10.220 -2.034 0.111 468 H ALA 61 HN ALA 61 -12.666 -6.093 0.158 469 HA ALA 61 HA ALA 61 -11.994 -7.883 2.248 470 1HB ALA 61 HB1 ALA 61 -13.958 -9.146 1.550 471 2HB ALA 61 HB2 ALA 61 -14.039 -8.214 0.056 472 3HB ALA 61 HB3 ALA 61 -14.307 -7.418 1.607 473 H LYS 62 HN LYS 62 -10.666 -7.676 -0.783 474 HA LYS 62 HA LYS 62 -10.399 -10.338 -1.612 475 1HB LYS 62 HB2 LYS 62 -8.631 -7.923 -1.932 476 2HB LYS 62 HB1 LYS 62 -8.163 -9.490 -2.580 477 1HG LYS 62 HG2 LYS 62 -10.706 -8.034 -3.275 478 2HG LYS 62 HG1 LYS 62 -9.232 -8.018 -4.244 479 1HD LYS 62 HD2 LYS 62 -9.380 -10.481 -4.431 480 2HD LYS 62 HD1 LYS 62 -10.904 -10.428 -3.547 481 1HE LYS 62 HE2 LYS 62 -10.371 -9.054 -6.177 482 2HE LYS 62 HE1 LYS 62 -11.213 -10.590 -5.989 483 1HZ LYS 62 HZ1 LYS 62 -12.895 -9.014 -6.145 484 2HZ LYS 62 HZ2 LYS 62 -12.095 -7.894 -5.163 485 3HZ LYS 62 HZ3 LYS 62 -12.777 -9.289 -4.472 486 H TYR 63 HN TYR 63 -8.468 -8.425 0.662 487 HA TYR 63 HA TYR 63 -6.487 -10.378 1.152 488 1HB TYR 63 HB2 TYR 63 -7.482 -8.104 2.880 489 2HB TYR 63 HB1 TYR 63 -6.039 -9.055 3.222 490 HD1 TYR 63 HD1 TYR 63 -7.512 -6.492 1.059 491 HD2 TYR 63 HD2 TYR 63 -4.049 -8.806 1.891 492 HE1 TYR 63 HE1 TYR 63 -6.178 -4.998 -0.365 493 HE2 TYR 63 HE2 TYR 63 -2.706 -7.330 0.478 494 HH TYR 63 HH TYR 63 -3.827 -4.321 -0.629 495 H LYS 64 HN LYS 64 -9.312 -9.417 3.025 496 HA LYS 64 HA LYS 64 -10.818 -10.612 4.214 497 1HB LYS 64 HB2 LYS 64 -10.667 -12.235 2.325 498 2HB LYS 64 HB1 LYS 64 -9.409 -13.079 3.214 499 1HG LYS 64 HG2 LYS 64 -11.165 -13.285 5.082 500 2HG LYS 64 HG1 LYS 64 -12.331 -12.879 3.818 501 1HD LYS 64 HD2 LYS 64 -11.314 -14.754 2.460 502 2HD LYS 64 HD1 LYS 64 -10.446 -15.228 3.921 503 1HE LYS 64 HE2 LYS 64 -12.359 -16.577 3.903 504 2HE LYS 64 HE1 LYS 64 -12.733 -15.291 5.049 505 1HZ LYS 64 HZ1 LYS 64 -14.015 -14.169 3.358 506 2HZ LYS 64 HZ2 LYS 64 -14.571 -15.764 3.518 507 3HZ LYS 64 HZ3 LYS 64 -13.589 -15.339 2.206 508 H ASN 65 HN ASN 65 -8.171 -12.882 4.527 509 HA ASN 65 HA ASN 65 -7.522 -11.997 7.182 510 1HB ASN 65 HB2 ASN 65 -9.629 -13.364 7.487 511 2HB ASN 65 HB1 ASN 65 -8.746 -14.752 6.864 512 1HD2 ASN 65 HD21 ASN 65 -7.311 -12.300 8.913 513 2HD2 ASN 65 HD22 ASN 65 -7.087 -13.312 10.297 514 H ILE 66 HN ILE 66 -6.065 -12.123 4.869 515 HA ILE 66 HA ILE 66 -4.588 -14.473 4.425 516 HB ILE 66 HB ILE 66 -3.468 -11.665 4.310 517 1HG1 ILE 66 HG12 ILE 66 -4.798 -13.296 2.138 518 2HG1 ILE 66 HG11 ILE 66 -5.463 -11.854 2.903 519 1HG2 ILE 66 HG21 ILE 66 -1.938 -12.667 2.628 520 2HG2 ILE 66 HG22 ILE 66 -2.574 -14.254 3.068 521 3HG2 ILE 66 HG23 ILE 66 -1.722 -13.278 4.265 522 1HD1 ILE 66 HD11 ILE 66 -3.563 -10.558 2.039 523 2HD1 ILE 66 HD12 ILE 66 -4.534 -11.287 0.761 524 3HD1 ILE 66 HD13 ILE 66 -2.978 -11.998 1.209 525 H ALA 67 HN ALA 67 -4.145 -11.924 6.780 526 HA ALA 67 HA ALA 67 -2.651 -13.528 8.602 527 1HB ALA 67 HB1 ALA 67 -0.828 -13.131 7.077 528 2HB ALA 67 HB2 ALA 67 -0.581 -12.115 8.498 529 3HB ALA 67 HB3 ALA 67 -1.203 -11.412 7.007 530 H GLY 68 HN GLY 68 -1.268 -11.163 9.702 531 1HA GLY 68 HA2 GLY 68 -3.444 -9.803 10.987 532 2HA GLY 68 HA1 GLY 68 -1.734 -9.408 11.134 533 H VAL 69 HN VAL 69 -4.073 -9.488 8.469 534 HA VAL 69 HA VAL 69 -2.990 -6.949 7.503 535 HB VAL 69 HB VAL 69 -4.202 -7.494 5.376 536 1HG1 VAL 69 HG11 VAL 69 -2.263 -9.585 6.348 537 2HG1 VAL 69 HG12 VAL 69 -1.849 -8.027 5.630 538 3HG1 VAL 69 HG13 VAL 69 -2.664 -9.256 4.661 539 1HG2 VAL 69 HG21 VAL 69 -5.937 -8.952 6.308 540 2HG2 VAL 69 HG22 VAL 69 -4.708 -10.166 6.667 541 3HG2 VAL 69 HG23 VAL 69 -5.049 -9.722 4.992 542 H GLU 70 HN GLU 70 -4.078 -5.144 7.826 543 HA GLU 70 HA GLU 70 -6.955 -5.361 8.376 544 1HB GLU 70 HB2 GLU 70 -6.789 -3.401 9.822 545 2HB GLU 70 HB1 GLU 70 -5.737 -4.689 10.387 546 1HG GLU 70 HG2 GLU 70 -3.805 -3.553 9.504 547 2HG GLU 70 HG1 GLU 70 -4.826 -2.307 8.787 548 H GLU 71 HN GLU 71 -8.101 -4.655 6.773 549 HA GLU 71 HA GLU 71 -7.128 -2.434 5.134 550 1HB GLU 71 HB2 GLU 71 -9.510 -4.257 4.721 551 2HB GLU 71 HB1 GLU 71 -8.997 -2.993 3.616 552 1HG GLU 71 HG2 GLU 71 -8.228 -4.997 2.687 553 2HG GLU 71 HG1 GLU 71 -6.811 -4.245 3.411 554 H LYS 72 HN LYS 72 -7.543 -0.601 6.248 555 HA LYS 72 HA LYS 72 -10.192 -0.295 7.474 556 1HB LYS 72 HB2 LYS 72 -8.210 0.106 8.907 557 2HB LYS 72 HB1 LYS 72 -7.716 1.404 7.828 558 1HG LYS 72 HG2 LYS 72 -9.686 2.668 8.366 559 2HG LYS 72 HG1 LYS 72 -10.309 1.343 9.348 560 1HD LYS 72 HD2 LYS 72 -8.273 1.573 10.788 561 2HD LYS 72 HD1 LYS 72 -7.875 3.033 9.878 562 1HE LYS 72 HE2 LYS 72 -9.062 3.532 11.976 563 2HE LYS 72 HE1 LYS 72 -9.954 4.063 10.552 564 1HZ LYS 72 HZ1 LYS 72 -10.472 1.569 12.084 565 2HZ LYS 72 HZ2 LYS 72 -11.326 2.074 10.709 566 3HZ LYS 72 HZ3 LYS 72 -11.410 2.982 12.137 567 H LEU 73 HN LEU 73 -11.615 0.504 6.106 568 HA LEU 73 HA LEU 73 -10.834 2.378 4.031 569 1HB LEU 73 HB2 LEU 73 -13.455 1.060 4.733 570 2HB LEU 73 HB1 LEU 73 -13.260 2.184 3.401 571 HG LEU 73 HG LEU 73 -11.691 -0.380 3.628 572 1HD1 LEU 73 HD11 LEU 73 -13.228 -1.280 1.938 573 2HD1 LEU 73 HD12 LEU 73 -14.239 0.155 2.109 574 3HD1 LEU 73 HD13 LEU 73 -14.040 -0.950 3.468 575 1HD2 LEU 73 HD21 LEU 73 -12.199 1.526 1.351 576 2HD2 LEU 73 HD22 LEU 73 -11.311 0.007 1.240 577 3HD2 LEU 73 HD23 LEU 73 -10.683 1.324 2.232 578 H THR 74 HN THR 74 -10.698 4.469 4.480 579 HA THR 74 HA THR 74 -12.451 5.589 6.546 580 HB THR 74 HB THR 74 -10.936 7.575 6.442 581 HG1 THR 74 HG1 THR 74 -9.347 7.651 5.026 582 1HG2 THR 74 HG21 THR 74 -9.016 6.496 7.546 583 2HG2 THR 74 HG22 THR 74 -9.599 4.926 6.994 584 3HG2 THR 74 HG23 THR 74 -10.556 5.872 8.135 585 H TYR 75 HN TYR 75 -14.210 6.612 5.921 586 HA TYR 75 HA TYR 75 -14.284 7.732 3.204 587 1HB TYR 75 HB2 TYR 75 -16.558 6.744 4.942 588 2HB TYR 75 HB1 TYR 75 -16.757 7.507 3.369 589 HD1 TYR 75 HD1 TYR 75 -15.695 4.479 5.136 590 HD2 TYR 75 HD2 TYR 75 -16.199 6.315 1.332 591 HE1 TYR 75 HE1 TYR 75 -15.449 2.288 4.050 592 HE2 TYR 75 HE2 TYR 75 -15.953 4.130 0.236 593 HH TYR 75 HH TYR 75 -16.001 1.185 1.984 594 H THR 76 HN THR 76 -13.688 9.814 3.468 595 HA THR 76 HA THR 76 -14.691 11.425 5.616 596 HB THR 76 HB THR 76 -13.397 12.364 3.054 597 HG1 THR 76 HG1 THR 76 -12.339 11.210 5.394 598 1HG2 THR 76 HG21 THR 76 -14.496 14.131 4.350 599 2HG2 THR 76 HG22 THR 76 -12.742 14.311 4.391 600 3HG2 THR 76 HG23 THR 76 -13.595 13.645 5.785 601 H ASP 77 HN ASP 77 -15.006 11.772 2.131 602 HA ASP 77 HA ASP 77 -17.758 11.621 1.906 603 1HB ASP 77 HB2 ASP 77 -17.769 13.683 3.315 604 2HB ASP 77 HB1 ASP 77 -16.844 14.506 2.059 605 H THR 78 HN THR 78 -15.040 13.608 0.780 606 HA THR 78 HA THR 78 -15.972 13.427 -1.959 607 HB THR 78 HB THR 78 -13.897 14.861 -2.372 608 HG1 THR 78 HG1 THR 78 -13.455 15.918 -0.110 609 1HG2 THR 78 HG21 THR 78 -16.157 15.798 -2.224 610 2HG2 THR 78 HG22 THR 78 -14.973 16.879 -1.489 611 3HG2 THR 78 HG23 THR 78 -16.010 15.883 -0.468 612 H TYR 79 HN TYR 79 -13.842 11.717 0.072 613 HA TYR 79 HA TYR 79 -12.897 10.148 -2.169 614 1HB TYR 79 HB2 TYR 79 -10.564 10.368 -1.723 615 2HB TYR 79 HB1 TYR 79 -11.202 12.005 -1.808 616 HD1 TYR 79 HD1 TYR 79 -11.727 13.184 0.419 617 HD2 TYR 79 HD2 TYR 79 -9.355 9.660 0.143 618 HE1 TYR 79 HE1 TYR 79 -10.775 13.655 2.637 619 HE2 TYR 79 HE2 TYR 79 -8.405 10.119 2.359 620 HH TYR 79 HH TYR 79 -9.712 12.399 4.486 621 H ALA 80 HN ALA 80 -11.963 8.127 -1.511 622 HA ALA 80 HA ALA 80 -12.492 7.382 1.291 623 1HB ALA 80 HB1 ALA 80 -14.244 6.475 -0.174 624 2HB ALA 80 HB2 ALA 80 -13.253 5.195 0.526 625 3HB ALA 80 HB3 ALA 80 -13.009 5.683 -1.151 626 H GLN 81 HN GLN 81 -10.786 6.431 2.280 627 HA GLN 81 HA GLN 81 -8.484 5.787 0.553 628 1HB GLN 81 HB2 GLN 81 -8.239 7.783 2.043 629 2HB GLN 81 HB1 GLN 81 -8.423 6.716 3.427 630 1HG GLN 81 HG2 GLN 81 -6.405 5.530 2.824 631 2HG GLN 81 HG1 GLN 81 -6.234 6.514 1.371 632 1HE2 GLN 81 HE21 GLN 81 -4.397 6.198 3.616 633 2HE2 GLN 81 HE22 GLN 81 -4.146 7.784 4.260 634 H GLU 82 HN GLU 82 -7.903 3.730 0.498 635 HA GLU 82 HA GLU 82 -8.766 1.863 2.532 636 1HB GLU 82 HB2 GLU 82 -6.858 1.382 0.235 637 2HB GLU 82 HB1 GLU 82 -7.664 0.161 1.204 638 1HG GLU 82 HG2 GLU 82 -9.827 0.942 0.288 639 2HG GLU 82 HG1 GLU 82 -8.936 2.039 -0.764 640 H ASN 83 HN ASN 83 -7.686 2.540 4.419 641 HA ASN 83 HA ASN 83 -4.797 2.686 4.409 642 1HB ASN 83 HB2 ASN 83 -5.971 4.094 6.004 643 2HB ASN 83 HB1 ASN 83 -6.817 2.706 6.675 644 1HD2 ASN 83 HD21 ASN 83 -3.762 4.403 6.495 645 2HD2 ASN 83 HD22 ASN 83 -3.035 3.607 7.848 646 H VAL 84 HN VAL 84 -4.082 0.725 3.682 647 HA VAL 84 HA VAL 84 -5.031 -1.674 5.108 648 HB VAL 84 HB VAL 84 -3.451 -1.552 2.529 649 1HG1 VAL 84 HG11 VAL 84 -4.150 -3.878 2.255 650 2HG1 VAL 84 HG12 VAL 84 -4.963 -3.818 3.819 651 3HG1 VAL 84 HG13 VAL 84 -3.209 -3.657 3.731 652 1HG2 VAL 84 HG21 VAL 84 -5.571 -2.068 1.393 653 2HG2 VAL 84 HG22 VAL 84 -5.620 -0.502 2.203 654 3HG2 VAL 84 HG23 VAL 84 -6.423 -1.895 2.928 655 H THR 85 HN THR 85 -3.629 -2.968 6.244 656 HA THR 85 HA THR 85 -0.769 -2.298 6.086 657 HB THR 85 HB THR 85 -2.259 -2.934 8.645 658 HG1 THR 85 HG1 THR 85 -2.308 -0.707 7.489 659 1HG2 THR 85 HG21 THR 85 0.026 -3.801 8.656 660 2HG2 THR 85 HG22 THR 85 -0.114 -2.417 9.740 661 3HG2 THR 85 HG23 THR 85 0.642 -2.226 8.158 662 H ILE 86 HN ILE 86 0.056 -3.988 5.080 663 HA ILE 86 HA ILE 86 -0.966 -6.674 5.616 664 HB ILE 86 HB ILE 86 1.083 -5.789 3.575 665 1HG1 ILE 86 HG12 ILE 86 -1.867 -6.345 3.171 666 2HG1 ILE 86 HG11 ILE 86 -1.157 -4.736 3.251 667 1HG2 ILE 86 HG21 ILE 86 0.599 -7.938 2.504 668 2HG2 ILE 86 HG22 ILE 86 -0.511 -8.341 3.814 669 3HG2 ILE 86 HG23 ILE 86 1.212 -8.156 4.143 670 1HD1 ILE 86 HD11 ILE 86 -1.558 -5.422 0.956 671 2HD1 ILE 86 HD12 ILE 86 -0.532 -6.837 1.190 672 3HD1 ILE 86 HD13 ILE 86 0.167 -5.219 1.264 673 H ASP 87 HN ASP 87 -0.023 -7.680 7.301 674 HA ASP 87 HA ASP 87 2.707 -7.095 8.047 675 1HB ASP 87 HB2 ASP 87 0.957 -7.570 9.762 676 2HB ASP 87 HB1 ASP 87 0.872 -9.226 9.164 677 H MET 88 HN MET 88 4.403 -8.055 7.191 678 HA MET 88 HA MET 88 3.962 -10.251 5.341 679 1HB MET 88 HB2 MET 88 6.396 -8.557 5.906 680 2HB MET 88 HB1 MET 88 6.338 -9.834 4.698 681 1HG MET 88 HG2 MET 88 4.607 -7.369 4.718 682 2HG MET 88 HG1 MET 88 6.054 -7.598 3.739 683 1HE MET 88 HE1 MET 88 3.337 -6.727 2.414 684 2HE MET 88 HE2 MET 88 3.270 -7.804 1.020 685 3HE MET 88 HE3 MET 88 4.800 -7.064 1.489 686 H GLU 89 HN GLU 89 4.652 -10.080 8.570 687 HA GLU 89 HA GLU 89 6.628 -12.205 8.630 688 1HB GLU 89 HB2 GLU 89 5.033 -10.912 10.852 689 2HB GLU 89 HB1 GLU 89 6.262 -12.141 11.097 690 1HG GLU 89 HG2 GLU 89 7.923 -10.603 10.078 691 2HG GLU 89 HG1 GLU 89 6.667 -9.365 10.019 692 H LYS 90 HN LYS 90 3.254 -11.875 8.452 693 HA LYS 90 HA LYS 90 2.914 -14.705 9.183 694 1HB LYS 90 HB2 LYS 90 0.748 -12.668 9.603 695 2HB LYS 90 HB1 LYS 90 0.929 -14.248 10.349 696 1HG LYS 90 HG2 LYS 90 2.924 -13.356 11.557 697 2HG LYS 90 HG1 LYS 90 2.518 -11.761 10.925 698 1HD LYS 90 HD2 LYS 90 1.540 -11.782 13.044 699 2HD LYS 90 HD1 LYS 90 0.198 -12.178 11.967 700 1HE LYS 90 HE2 LYS 90 0.247 -13.627 13.948 701 2HE LYS 90 HE1 LYS 90 0.461 -14.534 12.451 702 1HZ LYS 90 HZ1 LYS 90 2.737 -13.630 14.123 703 2HZ LYS 90 HZ2 LYS 90 2.760 -14.767 12.862 704 3HZ LYS 90 HZ3 LYS 90 1.992 -15.139 14.327 705 H VAL 91 HN VAL 91 2.848 -12.610 6.666 706 HA VAL 91 HA VAL 91 0.256 -13.121 5.593 707 HB VAL 91 HB VAL 91 1.591 -11.061 5.061 708 1HG1 VAL 91 HG11 VAL 91 3.087 -12.947 3.263 709 2HG1 VAL 91 HG12 VAL 91 3.749 -12.048 4.631 710 3HG1 VAL 91 HG13 VAL 91 3.176 -11.188 3.200 711 1HG2 VAL 91 HG21 VAL 91 0.644 -12.652 2.683 712 2HG2 VAL 91 HG22 VAL 91 0.823 -10.898 2.765 713 3HG2 VAL 91 HG23 VAL 91 -0.382 -11.709 3.767 714 H ASP 92 HN ASP 92 -0.434 -14.612 4.274 715 HA ASP 92 HA ASP 92 1.349 -16.761 3.487 716 1HB ASP 92 HB2 ASP 92 -0.703 -17.490 4.464 717 2HB ASP 92 HB1 ASP 92 -1.652 -16.433 3.422 718 H PHE 93 HN PHE 93 2.284 -16.779 1.571 719 HA PHE 93 HA PHE 93 1.507 -14.857 -0.440 720 1HB PHE 93 HB2 PHE 93 3.737 -16.893 -0.362 721 2HB PHE 93 HB1 PHE 93 3.484 -15.761 -1.684 722 HD1 PHE 93 HD1 PHE 93 4.496 -16.111 1.824 723 HD2 PHE 93 HD2 PHE 93 4.064 -13.454 -1.472 724 HE1 PHE 93 HE1 PHE 93 5.866 -14.437 2.998 725 HE2 PHE 93 HE2 PHE 93 5.429 -11.775 -0.303 726 HZ PHE 93 HZ PHE 93 6.335 -12.265 1.934 727 H LYS 94 HN LYS 94 0.578 -17.972 0.316 728 HA LYS 94 HA LYS 94 0.137 -19.005 -2.301 729 1HB LYS 94 HB2 LYS 94 0.165 -20.443 -0.301 730 2HB LYS 94 HB1 LYS 94 -1.276 -19.634 0.304 731 1HG LYS 94 HG2 LYS 94 -2.527 -20.468 -1.641 732 2HG LYS 94 HG1 LYS 94 -1.080 -21.316 -2.188 733 1HD LYS 94 HD2 LYS 94 -1.057 -22.592 -0.083 734 2HD LYS 94 HD1 LYS 94 -2.538 -21.772 0.414 735 1HE LYS 94 HE2 LYS 94 -3.072 -23.953 -0.482 736 2HE LYS 94 HE1 LYS 94 -3.685 -22.699 -1.560 737 1HZ LYS 94 HZ1 LYS 94 -1.783 -23.037 -3.003 738 2HZ LYS 94 HZ2 LYS 94 -2.614 -24.497 -2.778 739 3HZ LYS 94 HZ3 LYS 94 -1.159 -24.217 -1.953 740 H ALA 95 HN ALA 95 -1.831 -17.187 0.021 741 HA ALA 95 HA ALA 95 -4.069 -16.837 -1.698 742 1HB ALA 95 HB1 ALA 95 -4.216 -16.494 0.724 743 2HB ALA 95 HB2 ALA 95 -4.725 -15.052 -0.154 744 3HB ALA 95 HB3 ALA 95 -3.130 -15.109 0.598 745 H LEU 96 HN LEU 96 -1.033 -15.165 -1.261 746 HA LEU 96 HA LEU 96 -1.708 -12.885 -2.837 747 1HB LEU 96 HB2 LEU 96 0.964 -13.973 -1.956 748 2HB LEU 96 HB1 LEU 96 0.762 -12.463 -2.825 749 HG LEU 96 HG LEU 96 -0.247 -13.107 -0.055 750 1HD1 LEU 96 HD11 LEU 96 1.762 -11.099 -1.062 751 2HD1 LEU 96 HD12 LEU 96 2.124 -12.579 -0.173 752 3HD1 LEU 96 HD13 LEU 96 1.229 -11.276 0.609 753 1HD2 LEU 96 HD21 LEU 96 -0.666 -10.610 -1.696 754 2HD2 LEU 96 HD22 LEU 96 -1.114 -10.824 -0.003 755 3HD2 LEU 96 HD23 LEU 96 -1.909 -11.780 -1.254 756 H GLN 97 HN GLN 97 -1.324 -16.021 -3.729 757 HA GLN 97 HA GLN 97 0.008 -15.749 -6.208 758 1HB GLN 97 HB2 GLN 97 -0.450 -17.940 -5.192 759 2HB GLN 97 HB1 GLN 97 -2.177 -17.685 -5.404 760 1HG GLN 97 HG2 GLN 97 -1.839 -17.613 -7.842 761 2HG GLN 97 HG1 GLN 97 -0.127 -17.950 -7.593 762 1HE2 GLN 97 HE21 GLN 97 -2.617 -19.383 -5.623 763 2HE2 GLN 97 HE22 GLN 97 -2.461 -20.992 -6.242 764 H GLY 98 HN GLY 98 -3.187 -14.943 -5.087 765 1HA GLY 98 HA2 GLY 98 -3.917 -14.157 -7.846 766 2HA GLY 98 HA1 GLY 98 -5.085 -14.633 -6.622 767 H ILE 99 HN ILE 99 -3.018 -12.942 -4.862 768 HA ILE 99 HA ILE 99 -4.260 -10.327 -5.447 769 HB ILE 99 HB ILE 99 -3.621 -11.265 -2.650 770 1HG1 ILE 99 HG12 ILE 99 -6.345 -11.383 -3.955 771 2HG1 ILE 99 HG11 ILE 99 -5.299 -12.784 -3.760 772 1HG2 ILE 99 HG21 ILE 99 -5.184 -9.487 -2.015 773 2HG2 ILE 99 HG22 ILE 99 -5.437 -9.104 -3.716 774 3HG2 ILE 99 HG23 ILE 99 -3.851 -8.861 -2.987 775 1HD1 ILE 99 HD11 ILE 99 -5.370 -12.495 -1.339 776 2HD1 ILE 99 HD12 ILE 99 -6.981 -12.706 -2.026 777 3HD1 ILE 99 HD13 ILE 99 -6.431 -11.102 -1.542 778 H SER 100 HN SER 100 -2.878 -8.529 -5.178 779 HA SER 100 HA SER 100 -0.235 -9.026 -4.081 780 1HB SER 100 HB2 SER 100 0.854 -8.010 -6.116 781 2HB SER 100 HB1 SER 100 0.171 -9.618 -6.357 782 HG SER 100 HG SER 100 -1.345 -8.814 -7.633 783 H GLY 101 HN GLY 101 -1.830 -6.566 -6.027 784 1HA GLY 101 HA2 GLY 101 -2.217 -4.315 -5.570 785 2HA GLY 101 HA1 GLY 101 -1.629 -4.586 -3.931 786 H ILE 102 HN ILE 102 0.483 -5.903 -6.084 787 HA ILE 102 HA ILE 102 2.244 -3.544 -6.004 788 HB ILE 102 HB ILE 102 3.080 -6.454 -5.979 789 1HG1 ILE 102 HG12 ILE 102 3.159 -4.483 -3.686 790 2HG1 ILE 102 HG11 ILE 102 1.898 -5.694 -3.889 791 1HG2 ILE 102 HG21 ILE 102 5.298 -5.581 -5.449 792 2HG2 ILE 102 HG22 ILE 102 4.677 -3.932 -5.544 793 3HG2 ILE 102 HG23 ILE 102 4.718 -4.945 -6.988 794 1HD1 ILE 102 HD11 ILE 102 3.561 -6.423 -2.287 795 2HD1 ILE 102 HD12 ILE 102 4.831 -6.243 -3.497 796 3HD1 ILE 102 HD13 ILE 102 3.574 -7.461 -3.713 797 H ASN 103 HN ASN 103 2.847 -2.801 -7.945 798 HA ASN 103 HA ASN 103 2.104 -4.319 -10.311 799 1HB ASN 103 HB2 ASN 103 3.006 -1.473 -9.883 800 2HB ASN 103 HB1 ASN 103 2.823 -2.167 -11.490 801 1HD2 ASN 103 HD21 ASN 103 0.542 -3.820 -10.655 802 2HD2 ASN 103 HD22 ASN 103 -0.796 -2.735 -10.537 803 H VAL 104 HN VAL 104 3.995 -3.165 -12.087 804 HA VAL 104 HA VAL 104 6.072 -3.449 -12.944 805 HB VAL 104 HB VAL 104 6.902 -4.404 -10.204 806 1HG1 VAL 104 HG11 VAL 104 9.201 -4.135 -10.993 807 2HG1 VAL 104 HG12 VAL 104 8.606 -3.714 -12.598 808 3HG1 VAL 104 HG13 VAL 104 8.340 -5.336 -11.960 809 1HG2 VAL 104 HG21 VAL 104 7.327 -1.767 -11.604 810 2HG2 VAL 104 HG22 VAL 104 7.980 -2.210 -10.028 811 3HG2 VAL 104 HG23 VAL 104 6.237 -2.058 -10.247 812 H SER 105 HN SER 105 5.975 -6.149 -10.680 813 HA SER 105 HA SER 105 5.162 -7.928 -12.819 814 1HB SER 105 HB2 SER 105 7.221 -9.418 -11.818 815 2HB SER 105 HB1 SER 105 7.302 -8.463 -13.300 816 HG SER 105 HG SER 105 8.632 -8.133 -10.961 817 H ALA 106 HN ALA 106 3.653 -9.203 -12.062 818 HA ALA 106 HA ALA 106 3.008 -9.412 -9.316 819 1HB ALA 106 HB1 ALA 106 1.338 -11.040 -10.019 820 2HB ALA 106 HB2 ALA 106 2.101 -11.154 -11.607 821 3HB ALA 106 HB3 ALA 106 1.343 -9.644 -11.097 822 H GLU 107 HN GLU 107 5.097 -11.186 -11.394 823 HA GLU 107 HA GLU 107 5.329 -13.583 -9.936 824 1HB GLU 107 HB2 GLU 107 7.458 -12.223 -11.597 825 2HB GLU 107 HB1 GLU 107 7.409 -13.921 -11.150 826 1HG GLU 107 HG2 GLU 107 6.609 -14.076 -13.267 827 2HG GLU 107 HG1 GLU 107 5.090 -13.828 -12.412 828 H ASP 108 HN ASP 108 6.580 -10.399 -9.386 829 HA ASP 108 HA ASP 108 8.804 -11.119 -7.784 830 1HB ASP 108 HB2 ASP 108 7.351 -8.632 -8.458 831 2HB ASP 108 HB1 ASP 108 8.224 -8.607 -6.934 832 H ALA 109 HN ALA 109 5.410 -10.729 -7.175 833 HA ALA 109 HA ALA 109 5.741 -10.803 -4.297 834 1HB ALA 109 HB1 ALA 109 3.318 -10.711 -4.199 835 2HB ALA 109 HB2 ALA 109 3.224 -10.939 -5.946 836 3HB ALA 109 HB3 ALA 109 3.942 -9.469 -5.286 837 H LYS 110 HN LYS 110 5.894 -13.069 -6.691 838 HA LYS 110 HA LYS 110 4.519 -15.187 -5.218 839 1HB LYS 110 HB2 LYS 110 5.990 -15.303 -7.862 840 2HB LYS 110 HB1 LYS 110 4.996 -16.580 -7.175 841 1HG LYS 110 HG2 LYS 110 3.976 -13.857 -7.958 842 2HG LYS 110 HG1 LYS 110 3.877 -15.298 -8.969 843 1HD LYS 110 HD2 LYS 110 2.515 -16.406 -7.276 844 2HD LYS 110 HD1 LYS 110 2.643 -14.988 -6.233 845 1HE LYS 110 HE2 LYS 110 1.449 -14.935 -8.998 846 2HE LYS 110 HE1 LYS 110 0.505 -15.170 -7.529 847 1HZ LYS 110 HZ1 LYS 110 1.240 -13.021 -6.737 848 2HZ LYS 110 HZ2 LYS 110 0.489 -12.859 -8.248 849 3HZ LYS 110 HZ3 LYS 110 2.182 -12.794 -8.129 850 H LYS 111 HN LYS 111 7.748 -14.283 -6.314 851 HA LYS 111 HA LYS 111 9.060 -16.575 -5.260 852 1HB LYS 111 HB2 LYS 111 11.135 -15.267 -5.661 853 2HB LYS 111 HB1 LYS 111 10.071 -15.301 -7.063 854 1HG LYS 111 HG2 LYS 111 9.227 -13.072 -6.442 855 2HG LYS 111 HG1 LYS 111 10.367 -13.039 -5.100 856 1HD LYS 111 HD2 LYS 111 12.235 -13.149 -6.655 857 2HD LYS 111 HD1 LYS 111 11.111 -13.260 -8.015 858 1HE LYS 111 HE2 LYS 111 10.173 -11.067 -7.359 859 2HE LYS 111 HE1 LYS 111 11.397 -10.954 -6.097 860 1HZ LYS 111 HZ1 LYS 111 12.129 -11.311 -8.941 861 2HZ LYS 111 HZ2 LYS 111 13.093 -10.740 -7.662 862 3HZ LYS 111 HZ3 LYS 111 11.839 -9.776 -8.276 863 H GLY 112 HN GLY 112 8.259 -13.410 -4.004 864 1HA GLY 112 HA2 GLY 112 8.034 -13.588 -1.450 865 2HA GLY 112 HA1 GLY 112 9.748 -13.979 -1.533 866 H ILE 113 HN ILE 113 8.193 -11.660 -0.368 867 HA ILE 113 HA ILE 113 9.333 -9.478 -1.961 868 HB ILE 113 HB ILE 113 7.137 -9.480 0.099 869 1HG1 ILE 113 HG12 ILE 113 6.438 -10.240 -2.102 870 2HG1 ILE 113 HG11 ILE 113 5.773 -8.640 -1.794 871 1HG2 ILE 113 HG21 ILE 113 8.380 -7.105 -1.291 872 2HG2 ILE 113 HG22 ILE 113 8.477 -7.482 0.429 873 3HG2 ILE 113 HG23 ILE 113 6.924 -7.064 -0.294 874 1HD1 ILE 113 HD11 ILE 113 6.581 -8.893 -4.095 875 2HD1 ILE 113 HD12 ILE 113 8.202 -9.218 -3.480 876 3HD1 ILE 113 HD13 ILE 113 7.461 -7.640 -3.217 877 H THR 114 HN THR 114 11.155 -8.640 -1.300 878 HA THR 114 HA THR 114 11.585 -8.260 1.576 879 HB THR 114 HB THR 114 14.015 -8.509 1.250 880 HG1 THR 114 HG1 THR 114 14.865 -8.795 -0.673 881 1HG2 THR 114 HG21 THR 114 14.094 -10.944 0.925 882 2HG2 THR 114 HG22 THR 114 12.447 -10.907 0.298 883 3HG2 THR 114 HG23 THR 114 12.760 -10.468 1.977 884 H MET 115 HN MET 115 13.641 -6.542 1.618 885 HA MET 115 HA MET 115 12.428 -4.210 0.453 886 1HB MET 115 HB2 MET 115 13.539 -4.292 2.739 887 2HB MET 115 HB1 MET 115 15.079 -4.296 1.887 888 1HG MET 115 HG2 MET 115 14.450 -2.054 2.628 889 2HG MET 115 HG1 MET 115 14.559 -2.162 0.871 890 1HE MET 115 HE1 MET 115 13.129 0.305 2.196 891 2HE MET 115 HE2 MET 115 11.659 0.410 1.226 892 3HE MET 115 HE3 MET 115 13.200 0.041 0.453 893 H ALA 116 HN ALA 116 15.015 -6.360 -0.346 894 HA ALA 116 HA ALA 116 16.477 -4.817 -2.145 895 1HB ALA 116 HB1 ALA 116 15.759 -7.740 -2.385 896 2HB ALA 116 HB2 ALA 116 17.124 -7.081 -1.482 897 3HB ALA 116 HB3 ALA 116 17.068 -6.921 -3.238 898 H GLN 117 HN GLN 117 13.671 -6.909 -2.827 899 HA GLN 117 HA GLN 117 13.189 -6.112 -5.456 900 1HB GLN 117 HB2 GLN 117 11.352 -7.105 -3.286 901 2HB GLN 117 HB1 GLN 117 10.731 -6.650 -4.864 902 1HG GLN 117 HG2 GLN 117 11.026 -8.979 -4.920 903 2HG GLN 117 HG1 GLN 117 12.354 -8.297 -5.856 904 1HE2 GLN 117 HE21 GLN 117 11.447 -10.036 -3.014 905 2HE2 GLN 117 HE22 GLN 117 13.047 -10.426 -2.485 906 H MET 118 HN MET 118 11.413 -4.969 -2.603 907 HA MET 118 HA MET 118 9.966 -2.993 -3.732 908 1HB MET 118 HB2 MET 118 10.992 -3.496 -1.023 909 2HB MET 118 HB1 MET 118 10.457 -1.849 -1.334 910 1HG MET 118 HG2 MET 118 8.736 -3.457 -0.423 911 2HG MET 118 HG1 MET 118 8.281 -2.523 -1.849 912 1HE MET 118 HE1 MET 118 6.542 -4.933 -1.108 913 2HE MET 118 HE2 MET 118 6.415 -5.807 -2.634 914 3HE MET 118 HE3 MET 118 6.331 -4.046 -2.620 915 H GLU 119 HN GLU 119 13.270 -2.415 -2.412 916 HA GLU 119 HA GLU 119 13.334 0.321 -2.987 917 1HB GLU 119 HB2 GLU 119 15.495 -1.753 -2.764 918 2HB GLU 119 HB1 GLU 119 15.883 -0.091 -3.183 919 1HG GLU 119 HG2 GLU 119 14.295 -0.779 -0.738 920 2HG GLU 119 HG1 GLU 119 16.058 -0.773 -0.739 921 H LEU 120 HN LEU 120 14.567 -2.367 -5.002 922 HA LEU 120 HA LEU 120 15.388 -0.650 -7.127 923 1HB LEU 120 HB2 LEU 120 16.235 -2.986 -6.528 924 2HB LEU 120 HB1 LEU 120 14.795 -3.605 -7.307 925 HG LEU 120 HG LEU 120 16.942 -3.631 -8.659 926 1HD1 LEU 120 HD11 LEU 120 14.769 -3.947 -9.698 927 2HD1 LEU 120 HD12 LEU 120 15.834 -3.007 -10.742 928 3HD1 LEU 120 HD13 LEU 120 14.562 -2.200 -9.825 929 1HD2 LEU 120 HD21 LEU 120 16.378 -0.674 -8.798 930 2HD2 LEU 120 HD22 LEU 120 17.553 -1.545 -9.784 931 3HD2 LEU 120 HD23 LEU 120 17.773 -1.439 -8.036 932 H VAL 121 HN VAL 121 12.490 -2.347 -6.343 933 HA VAL 121 HA VAL 121 11.304 -2.278 -8.945 934 HB VAL 121 HB VAL 121 10.447 -3.180 -6.216 935 1HG1 VAL 121 HG11 VAL 121 8.303 -3.881 -7.055 936 2HG1 VAL 121 HG12 VAL 121 8.633 -3.115 -8.613 937 3HG1 VAL 121 HG13 VAL 121 8.457 -2.127 -7.161 938 1HG2 VAL 121 HG21 VAL 121 10.670 -4.565 -8.884 939 2HG2 VAL 121 HG22 VAL 121 10.239 -5.331 -7.354 940 3HG2 VAL 121 HG23 VAL 121 11.847 -4.640 -7.573 941 H MET 122 HN MET 122 10.910 -0.399 -5.945 942 HA MET 122 HA MET 122 8.801 1.253 -6.843 943 1HB MET 122 HB2 MET 122 11.029 1.873 -4.893 944 2HB MET 122 HB1 MET 122 9.630 2.895 -5.152 945 1HG MET 122 HG2 MET 122 9.593 0.088 -4.071 946 2HG MET 122 HG1 MET 122 9.420 1.566 -3.130 947 1HE MET 122 HE1 MET 122 7.833 -0.358 -6.226 948 2HE MET 122 HE2 MET 122 6.213 -0.585 -5.564 949 3HE MET 122 HE3 MET 122 7.607 -1.286 -4.744 950 H LYS 123 HN LYS 123 12.300 1.502 -7.027 951 HA LYS 123 HA LYS 123 12.497 3.968 -8.353 952 1HB LYS 123 HB2 LYS 123 14.390 2.882 -7.278 953 2HB LYS 123 HB1 LYS 123 14.294 1.537 -8.402 954 1HG LYS 123 HG2 LYS 123 14.888 3.048 -10.240 955 2HG LYS 123 HG1 LYS 123 15.023 4.378 -9.083 956 1HD LYS 123 HD2 LYS 123 16.787 3.186 -7.899 957 2HD LYS 123 HD1 LYS 123 16.629 1.823 -9.007 958 1HE LYS 123 HE2 LYS 123 17.299 3.272 -10.869 959 2HE LYS 123 HE1 LYS 123 17.470 4.623 -9.748 960 1HZ LYS 123 HZ1 LYS 123 19.024 2.096 -9.666 961 2HZ LYS 123 HZ2 LYS 123 19.188 3.387 -8.576 962 3HZ LYS 123 HZ3 LYS 123 19.600 3.593 -10.209 963 H ALA 124 HN ALA 124 12.250 0.657 -9.583 964 HA ALA 124 HA ALA 124 12.537 1.214 -12.312 965 1HB ALA 124 HB1 ALA 124 12.717 -1.037 -11.438 966 2HB ALA 124 HB2 ALA 124 11.456 -0.972 -12.670 967 3HB ALA 124 HB3 ALA 124 11.020 -1.017 -10.964 968 H ALA 125 HN ALA 125 9.608 0.946 -10.319 969 HA ALA 125 HA ALA 125 7.794 1.406 -12.447 970 1HB ALA 125 HB1 ALA 125 6.112 1.660 -10.727 971 2HB ALA 125 HB2 ALA 125 7.361 1.847 -9.499 972 3HB ALA 125 HB3 ALA 125 7.173 0.306 -10.336 973 H GLY 126 HN GLY 126 9.606 3.519 -10.364 974 1HA GLY 126 HA2 GLY 126 10.087 5.764 -10.932 975 2HA GLY 126 HA1 GLY 126 8.633 5.800 -11.919 976 H PHE 127 HN PHE 127 8.720 4.580 -8.642 977 HA PHE 127 HA PHE 127 6.676 6.478 -7.884 978 1HB PHE 127 HB2 PHE 127 7.985 4.202 -6.389 979 2HB PHE 127 HB1 PHE 127 6.723 5.221 -5.707 980 HD1 PHE 127 HD1 PHE 127 7.049 2.107 -6.618 981 HD2 PHE 127 HD2 PHE 127 4.871 5.508 -7.952 982 HE1 PHE 127 HE1 PHE 127 5.333 0.628 -7.576 983 HE2 PHE 127 HE2 PHE 127 3.150 4.035 -8.912 984 HZ PHE 127 HZ PHE 127 3.377 1.591 -8.723 985 H LYS 128 HN LYS 128 6.877 8.123 -6.424 986 HA LYS 128 HA LYS 128 9.632 8.853 -5.744 987 1HB LYS 128 HB2 LYS 128 8.704 11.145 -5.400 988 2HB LYS 128 HB1 LYS 128 8.551 10.544 -7.042 989 1HG LYS 128 HG2 LYS 128 6.192 9.949 -6.547 990 2HG LYS 128 HG1 LYS 128 6.378 10.717 -4.968 991 1HD LYS 128 HD2 LYS 128 5.343 12.244 -6.574 992 2HD LYS 128 HD1 LYS 128 6.926 12.835 -6.063 993 1HE LYS 128 HE2 LYS 128 7.908 11.861 -8.113 994 2HE LYS 128 HE1 LYS 128 6.288 11.394 -8.632 995 1HZ LYS 128 HZ1 LYS 128 7.152 14.187 -8.095 996 2HZ LYS 128 HZ2 LYS 128 5.653 13.695 -8.724 997 3HZ LYS 128 HZ3 LYS 128 7.070 13.480 -9.634 998 H GLU 129 HN GLU 129 10.295 9.085 -3.715 999 HA GLU 129 HA GLU 129 8.577 8.030 -1.647 1000 1HB GLU 129 HB2 GLU 129 11.478 8.868 -1.579 1001 2HB GLU 129 HB1 GLU 129 10.623 8.086 -0.256 1002 1HG GLU 129 HG2 GLU 129 10.218 6.138 -1.706 1003 2HG GLU 129 HG1 GLU 129 11.158 6.919 -2.978 1004 H VAL 130 HN VAL 130 7.725 9.092 0.011 1005 HA VAL 130 HA VAL 130 8.022 12.017 0.080 1006 HB VAL 130 HB VAL 130 5.918 10.375 1.491 1007 1HG1 VAL 130 HG11 VAL 130 5.988 13.267 0.657 1008 2HG1 VAL 130 HG12 VAL 130 6.198 12.646 2.294 1009 3HG1 VAL 130 HG13 VAL 130 4.648 12.459 1.474 1010 1HG2 VAL 130 HG21 VAL 130 4.403 10.879 -0.385 1011 2HG2 VAL 130 HG22 VAL 130 5.741 9.831 -0.854 1012 3HG2 VAL 130 HG23 VAL 130 5.768 11.542 -1.286 1013 H LYS 131 HN LYS 131 8.041 9.099 2.012 1014 HA LYS 131 HA LYS 131 8.836 8.535 4.028 1015 1HB LYS 131 HB2 LYS 131 10.438 11.059 3.666 1016 2HB LYS 131 HB1 LYS 131 10.618 10.001 5.061 1017 1HG LYS 131 HG2 LYS 131 11.134 8.130 3.508 1018 2HG LYS 131 HG1 LYS 131 11.098 9.282 2.175 1019 1HD LYS 131 HD2 LYS 131 12.899 9.644 4.556 1020 2HD LYS 131 HD1 LYS 131 13.379 8.680 3.158 1021 1HE LYS 131 HE2 LYS 131 14.272 10.874 2.875 1022 2HE LYS 131 HE1 LYS 131 12.948 10.682 1.729 1023 1HZ LYS 131 HZ1 LYS 131 11.531 11.971 3.134 1024 2HZ LYS 131 HZ2 LYS 131 12.962 12.845 2.889 1025 3HZ LYS 131 HZ3 LYS 131 12.695 12.037 4.364 1026 H LEU 132 HN LEU 132 9.348 10.029 6.375 1027 HA LEU 132 HA LEU 132 6.537 10.798 6.853 1028 1HB LEU 132 HB2 LEU 132 8.393 9.211 8.619 1029 2HB LEU 132 HB1 LEU 132 6.842 9.831 9.143 1030 HG LEU 132 HG LEU 132 5.844 8.464 7.202 1031 1HD1 LEU 132 HD11 LEU 132 7.917 7.976 6.028 1032 2HD1 LEU 132 HD12 LEU 132 7.130 6.488 6.556 1033 3HD1 LEU 132 HD13 LEU 132 8.525 7.107 7.438 1034 1HD2 LEU 132 HD21 LEU 132 5.751 6.456 8.583 1035 2HD2 LEU 132 HD22 LEU 132 5.542 7.914 9.554 1036 3HD2 LEU 132 HD23 LEU 132 7.087 7.063 9.562 1037 H GLU 133 HN GLU 133 9.643 11.949 6.898 1038 HA GLU 133 HA GLU 133 9.579 13.458 9.316 1039 1HB GLU 133 HB2 GLU 133 11.244 14.091 6.878 1040 2HB GLU 133 HB1 GLU 133 11.565 14.547 8.543 1041 1HG GLU 133 HG2 GLU 133 13.040 12.819 8.227 1042 2HG GLU 133 HG1 GLU 133 11.665 11.987 8.953 1043 H HIS 134 HN HIS 134 7.549 14.491 9.264 1044 HA HIS 134 HA HIS 134 7.468 16.823 7.464 1045 1HB HIS 134 HB2 HIS 134 5.265 15.207 8.716 1046 2HB HIS 134 HB1 HIS 134 4.980 16.856 8.174 1047 HD1 HIS 134 HD1 HIS 134 4.843 13.458 7.006 1048 HD2 HIS 134 HD2 HIS 134 5.707 17.151 5.289 1049 HE1 HIS 134 HE1 HIS 134 4.586 13.136 4.525 1050 HE2 HIS 134 HE2 HIS 134 4.931 15.424 3.525 1051 H HIS 135 HN HIS 135 8.601 16.158 10.304 1052 HA HIS 135 HA HIS 135 7.382 18.312 11.832 1053 1HB HIS 135 HB2 HIS 135 9.670 16.433 12.482 1054 2HB HIS 135 HB1 HIS 135 9.096 17.695 13.567 1055 HD1 HIS 135 HD1 HIS 135 7.441 16.940 15.232 1056 HD2 HIS 135 HD2 HIS 135 7.431 14.525 11.843 1057 HE1 HIS 135 HE1 HIS 135 5.794 15.100 15.711 1058 HE2 HIS 135 HE2 HIS 135 5.636 13.789 13.559 1059 H HIS 136 HN HIS 136 10.842 17.626 11.528 1060 HA HIS 136 HA HIS 136 11.207 20.060 9.949 1061 1HB HIS 136 HB2 HIS 136 12.544 19.493 12.588 1062 2HB HIS 136 HB1 HIS 136 13.312 20.513 11.378 1063 HD1 HIS 136 HD1 HIS 136 11.228 22.354 10.443 1064 HD2 HIS 136 HD2 HIS 136 11.401 21.118 14.412 1065 HE1 HIS 136 HE1 HIS 136 10.013 24.119 11.757 1066 HE2 HIS 136 HE2 HIS 136 10.305 23.452 14.165 1067 H HIS 137 HN HIS 137 13.488 17.923 11.606 1068 HA HIS 137 HA HIS 137 15.210 16.641 10.862 1069 1HB HIS 137 HB2 HIS 137 13.152 15.326 10.155 1070 2HB HIS 137 HB1 HIS 137 13.395 15.972 8.538 1071 HD1 HIS 137 HD1 HIS 137 15.108 13.747 11.081 1072 HD2 HIS 137 HD2 HIS 137 15.199 14.593 7.009 1073 HE1 HIS 137 HE1 HIS 137 16.633 12.030 10.066 1074 HE2 HIS 137 HE2 HIS 137 16.456 12.402 7.584 1075 H HIS 138 HN HIS 138 15.664 19.220 10.252 1076 HA HIS 138 HA HIS 138 16.502 19.271 7.442 1077 1HB HIS 138 HB2 HIS 138 15.224 21.220 8.318 1078 2HB HIS 138 HB1 HIS 138 16.526 21.526 9.464 1079 HD1 HIS 138 HD1 HIS 138 18.252 23.129 8.688 1080 HD2 HIS 138 HD2 HIS 138 16.201 21.387 5.520 1081 HE1 HIS 138 HE1 HIS 138 19.122 24.260 6.616 1082 HE2 HIS 138 HE2 HIS 138 17.942 23.114 4.698 1083 H HIS 139 HN HIS 139 18.060 20.930 10.135 1084 HA HIS 139 HA HIS 139 20.212 19.237 10.585 1085 1HB HIS 139 HB2 HIS 139 20.719 19.725 8.162 1086 2HB HIS 139 HB1 HIS 139 20.934 21.416 8.607 1087 HD1 HIS 139 HD1 HIS 139 22.459 18.015 9.165 1088 HD2 HIS 139 HD2 HIS 139 23.410 22.032 9.688 1089 HE1 HIS 139 HE1 HIS 139 24.900 18.061 9.771 1090 HE2 HIS 139 HE2 HIS 139 25.389 20.476 10.291 Start of MODEL 6 1 1H MET 1 HT1 MET 1 20.819 -5.964 12.417 2 2H MET 1 HT2 MET 1 19.508 -4.890 12.481 3 3H MET 1 HT3 MET 1 19.234 -6.563 12.365 4 HA MET 1 HA MET 1 18.813 -5.860 14.593 5 1HB MET 1 HB2 MET 1 20.091 -8.040 14.038 6 2HB MET 1 HB1 MET 1 21.506 -7.205 14.657 7 1HG MET 1 HG2 MET 1 20.753 -8.412 16.478 8 2HG MET 1 HG1 MET 1 20.103 -6.800 16.765 9 1HE MET 1 HE1 MET 1 16.295 -7.245 16.002 10 2HE MET 1 HE2 MET 1 17.549 -6.530 14.989 11 3HE MET 1 HE3 MET 1 17.519 -6.199 16.721 12 H GLY 2 HN GLY 2 19.513 -4.796 16.522 13 1HA GLY 2 HA2 GLY 2 20.677 -3.163 17.696 14 2HA GLY 2 HA1 GLY 2 21.895 -3.155 16.422 15 H ASP 3 HN ASP 3 18.623 -2.919 15.502 16 HA ASP 3 HA ASP 3 18.829 -0.037 15.065 17 1HB ASP 3 HB2 ASP 3 17.939 -0.447 12.715 18 2HB ASP 3 HB1 ASP 3 19.619 -0.899 12.987 19 H LYS 4 HN LYS 4 16.639 0.703 14.021 20 HA LYS 4 HA LYS 4 14.527 -0.432 15.717 21 1HB LYS 4 HB2 LYS 4 14.667 2.264 14.348 22 2HB LYS 4 HB1 LYS 4 13.379 1.722 15.411 23 1HG LYS 4 HG2 LYS 4 16.248 2.151 16.210 24 2HG LYS 4 HG1 LYS 4 14.908 3.253 16.525 25 1HD LYS 4 HD2 LYS 4 13.801 1.384 17.781 26 2HD LYS 4 HD1 LYS 4 15.307 0.476 17.617 27 1HE LYS 4 HE2 LYS 4 16.501 2.309 18.748 28 2HE LYS 4 HE1 LYS 4 14.969 3.153 18.964 29 1HZ LYS 4 HZ1 LYS 4 15.382 2.038 20.964 30 2HZ LYS 4 HZ2 LYS 4 15.840 0.602 20.185 31 3HZ LYS 4 HZ3 LYS 4 14.212 1.091 20.177 32 H GLU 5 HN GLU 5 12.278 -0.203 14.757 33 HA GLU 5 HA GLU 5 12.196 -1.295 12.102 34 1HB GLU 5 HB2 GLU 5 9.905 -0.291 13.808 35 2HB GLU 5 HB1 GLU 5 9.775 -1.282 12.367 36 1HG GLU 5 HG2 GLU 5 9.482 -2.819 14.043 37 2HG GLU 5 HG1 GLU 5 11.198 -2.983 13.684 38 H GLU 6 HN GLU 6 12.346 -0.102 10.333 39 HA GLU 6 HA GLU 6 12.102 2.806 10.606 40 1HB GLU 6 HB2 GLU 6 13.457 1.104 8.507 41 2HB GLU 6 HB1 GLU 6 13.430 2.861 8.510 42 1HG GLU 6 HG2 GLU 6 14.631 1.172 10.690 43 2HG GLU 6 HG1 GLU 6 15.538 1.885 9.358 44 H SER 7 HN SER 7 11.262 3.991 8.666 45 HA SER 7 HA SER 7 9.098 2.466 7.389 46 1HB SER 7 HB2 SER 7 8.259 3.779 9.343 47 2HB SER 7 HB1 SER 7 8.799 5.250 8.538 48 HG SER 7 HG SER 7 6.792 3.433 7.700 49 H LYS 8 HN LYS 8 9.098 2.638 5.284 50 HA LYS 8 HA LYS 8 10.161 5.092 4.018 51 1HB LYS 8 HB2 LYS 8 10.175 2.213 3.189 52 2HB LYS 8 HB1 LYS 8 10.069 3.446 1.944 53 1HG LYS 8 HG2 LYS 8 12.246 3.344 4.013 54 2HG LYS 8 HG1 LYS 8 12.366 2.615 2.411 55 1HD LYS 8 HD2 LYS 8 11.921 5.537 3.018 56 2HD LYS 8 HD1 LYS 8 13.421 4.808 2.448 57 1HE LYS 8 HE2 LYS 8 10.806 4.883 0.944 58 2HE LYS 8 HE1 LYS 8 12.207 5.906 0.632 59 1HZ LYS 8 HZ1 LYS 8 12.491 4.274 -0.913 60 2HZ LYS 8 HZ2 LYS 8 11.825 3.051 0.052 61 3HZ LYS 8 HZ3 LYS 8 13.390 3.615 0.361 62 H LYS 9 HN LYS 9 8.817 6.243 2.804 63 HA LYS 9 HA LYS 9 6.091 5.213 2.438 64 1HB LYS 9 HB2 LYS 9 6.327 6.779 4.360 65 2HB LYS 9 HB1 LYS 9 6.907 8.008 3.251 66 1HG LYS 9 HG2 LYS 9 4.755 8.049 2.131 67 2HG LYS 9 HG1 LYS 9 4.166 6.757 3.185 68 1HD LYS 9 HD2 LYS 9 4.461 8.171 5.135 69 2HD LYS 9 HD1 LYS 9 5.148 9.450 4.134 70 1HE LYS 9 HE2 LYS 9 2.849 9.948 4.674 71 2HE LYS 9 HE1 LYS 9 3.019 9.649 2.945 72 1HZ LYS 9 HZ1 LYS 9 2.296 7.285 3.504 73 2HZ LYS 9 HZ2 LYS 9 1.110 8.488 3.561 74 3HZ LYS 9 HZ3 LYS 9 1.793 7.906 4.999 75 H PHE 10 HN PHE 10 5.557 5.192 0.332 76 HA PHE 10 HA PHE 10 6.492 7.457 -1.289 77 1HB PHE 10 HB2 PHE 10 6.963 6.148 -3.149 78 2HB PHE 10 HB1 PHE 10 7.526 5.122 -1.839 79 HD1 PHE 10 HD1 PHE 10 6.643 2.973 -1.532 80 HD2 PHE 10 HD2 PHE 10 4.743 5.670 -4.213 81 HE1 PHE 10 HE1 PHE 10 5.265 1.133 -2.402 82 HE2 PHE 10 HE2 PHE 10 3.355 3.840 -5.083 83 HZ PHE 10 HZ PHE 10 3.612 1.570 -4.182 84 H SER 11 HN SER 11 5.006 7.887 -3.169 85 HA SER 11 HA SER 11 2.295 6.983 -2.791 86 1HB SER 11 HB2 SER 11 2.608 8.854 -1.112 87 2HB SER 11 HB1 SER 11 2.855 9.938 -2.478 88 HG SER 11 HG SER 11 0.545 8.345 -2.040 89 H ALA 12 HN ALA 12 1.662 6.583 -4.758 90 HA ALA 12 HA ALA 12 2.624 8.307 -6.939 91 1HB ALA 12 HB1 ALA 12 1.549 5.490 -7.068 92 2HB ALA 12 HB2 ALA 12 3.247 5.955 -7.163 93 3HB ALA 12 HB3 ALA 12 2.128 6.439 -8.437 94 H ASN 13 HN ASN 13 1.191 9.824 -7.384 95 HA ASN 13 HA ASN 13 -1.653 9.316 -7.034 96 1HB ASN 13 HB2 ASN 13 -0.094 11.823 -7.688 97 2HB ASN 13 HB1 ASN 13 -1.852 11.766 -7.719 98 1HD2 ASN 13 HD21 ASN 13 0.072 9.989 -5.394 99 2HD2 ASN 13 HD22 ASN 13 -0.388 10.927 -4.017 100 H LEU 14 HN LEU 14 -2.056 7.870 -8.678 101 HA LEU 14 HA LEU 14 -1.691 8.932 -11.392 102 1HB LEU 14 HB2 LEU 14 -1.821 6.478 -12.087 103 2HB LEU 14 HB1 LEU 14 -0.348 7.035 -11.326 104 HG LEU 14 HG LEU 14 -1.460 6.091 -9.141 105 1HD1 LEU 14 HD11 LEU 14 -2.865 4.503 -11.282 106 2HD1 LEU 14 HD12 LEU 14 -3.624 5.579 -10.109 107 3HD1 LEU 14 HD13 LEU 14 -2.824 4.105 -9.564 108 1HD2 LEU 14 HD21 LEU 14 -0.383 3.933 -9.563 109 2HD2 LEU 14 HD22 LEU 14 0.616 5.278 -10.112 110 3HD2 LEU 14 HD23 LEU 14 -0.289 4.317 -11.281 111 H ASN 15 HN ASN 15 -3.395 9.222 -12.626 112 HA ASN 15 HA ASN 15 -5.499 9.127 -13.488 113 1HB ASN 15 HB2 ASN 15 -5.393 6.685 -13.163 114 2HB ASN 15 HB1 ASN 15 -5.988 6.881 -11.519 115 1HD2 ASN 15 HD21 ASN 15 -6.778 6.976 -14.893 116 2HD2 ASN 15 HD22 ASN 15 -8.501 6.972 -14.693 117 H GLY 16 HN GLY 16 -5.124 9.208 -10.021 118 1HA GLY 16 HA2 GLY 16 -6.253 11.480 -9.315 119 2HA GLY 16 HA1 GLY 16 -7.700 10.536 -9.652 120 H THR 17 HN THR 17 -5.839 8.195 -8.722 121 HA THR 17 HA THR 17 -6.648 8.384 -5.921 122 HB THR 17 HB THR 17 -5.675 6.017 -7.536 123 HG1 THR 17 HG1 THR 17 -7.761 5.583 -7.868 124 1HG2 THR 17 HG21 THR 17 -5.182 5.778 -5.139 125 2HG2 THR 17 HG22 THR 17 -6.430 4.647 -5.662 126 3HG2 THR 17 HG23 THR 17 -6.874 6.100 -4.764 127 H GLU 18 HN GLU 18 -5.200 8.554 -4.282 128 HA GLU 18 HA GLU 18 -2.365 8.702 -4.940 129 1HB GLU 18 HB2 GLU 18 -3.525 8.935 -2.175 130 2HB GLU 18 HB1 GLU 18 -2.015 9.588 -2.778 131 1HG GLU 18 HG2 GLU 18 -3.360 11.134 -4.213 132 2HG GLU 18 HG1 GLU 18 -4.794 10.559 -3.362 133 H ILE 19 HN ILE 19 -1.381 6.752 -5.116 134 HA ILE 19 HA ILE 19 -2.104 4.641 -3.241 135 HB ILE 19 HB ILE 19 -0.051 4.605 -5.461 136 1HG1 ILE 19 HG12 ILE 19 -2.876 3.526 -5.323 137 2HG1 ILE 19 HG11 ILE 19 -2.307 4.841 -6.345 138 1HG2 ILE 19 HG21 ILE 19 -0.085 2.165 -5.143 139 2HG2 ILE 19 HG22 ILE 19 -1.156 2.371 -3.757 140 3HG2 ILE 19 HG23 ILE 19 0.487 3.012 -3.706 141 1HD1 ILE 19 HD11 ILE 19 -0.902 3.288 -7.577 142 2HD1 ILE 19 HD12 ILE 19 -2.591 2.782 -7.602 143 3HD1 ILE 19 HD13 ILE 19 -1.442 1.968 -6.539 144 H ALA 20 HN ALA 20 -1.372 5.198 -1.277 145 HA ALA 20 HA ALA 20 1.443 6.005 -1.016 146 1HB ALA 20 HB1 ALA 20 -0.380 7.460 -0.055 147 2HB ALA 20 HB2 ALA 20 0.895 6.992 1.060 148 3HB ALA 20 HB3 ALA 20 -0.671 6.181 1.117 149 H ILE 21 HN ILE 21 2.601 4.150 -0.880 150 HA ILE 21 HA ILE 21 1.677 2.157 1.056 151 HB ILE 21 HB ILE 21 3.850 1.895 -1.028 152 1HG1 ILE 21 HG12 ILE 21 1.059 0.730 -0.838 153 2HG1 ILE 21 HG11 ILE 21 1.610 1.931 -2.002 154 1HG2 ILE 21 HG21 ILE 21 3.908 -0.469 -0.381 155 2HG2 ILE 21 HG22 ILE 21 2.747 -0.145 0.906 156 3HG2 ILE 21 HG23 ILE 21 4.352 0.580 0.964 157 1HD1 ILE 21 HD11 ILE 21 3.130 0.285 -2.970 158 2HD1 ILE 21 HD12 ILE 21 1.452 -0.259 -3.018 159 3HD1 ILE 21 HD13 ILE 21 2.559 -0.916 -1.811 160 H THR 22 HN THR 22 2.245 2.836 2.972 161 HA THR 22 HA THR 22 4.959 3.781 3.495 162 HB THR 22 HB THR 22 2.808 3.429 5.576 163 HG1 THR 22 HG1 THR 22 1.649 4.788 4.406 164 1HG2 THR 22 HG21 THR 22 3.937 5.335 6.614 165 2HG2 THR 22 HG22 THR 22 5.053 5.421 5.251 166 3HG2 THR 22 HG23 THR 22 5.069 4.016 6.318 167 H TYR 23 HN TYR 23 6.240 1.952 3.386 168 HA TYR 23 HA TYR 23 5.296 -0.398 4.849 169 1HB TYR 23 HB2 TYR 23 7.108 -1.619 3.576 170 2HB TYR 23 HB1 TYR 23 5.763 -1.010 2.626 171 HD1 TYR 23 HD1 TYR 23 6.095 1.022 1.204 172 HD2 TYR 23 HD2 TYR 23 9.336 -0.932 3.144 173 HE1 TYR 23 HE1 TYR 23 7.665 2.141 -0.312 174 HE2 TYR 23 HE2 TYR 23 10.921 0.190 1.635 175 HH TYR 23 HH TYR 23 10.985 1.290 -0.533 176 H VAL 24 HN VAL 24 6.241 -1.163 6.557 177 HA VAL 24 HA VAL 24 8.501 0.286 7.694 178 HB VAL 24 HB VAL 24 6.477 -1.616 8.890 179 1HG1 VAL 24 HG11 VAL 24 7.596 -1.342 11.040 180 2HG1 VAL 24 HG12 VAL 24 8.876 -0.407 10.266 181 3HG1 VAL 24 HG13 VAL 24 8.671 -2.114 9.874 182 1HG2 VAL 24 HG21 VAL 24 7.175 1.252 9.506 183 2HG2 VAL 24 HG22 VAL 24 5.893 0.302 10.260 184 3HG2 VAL 24 HG23 VAL 24 5.791 0.720 8.550 185 H TYR 25 HN TYR 25 10.456 -0.527 7.678 186 HA TYR 25 HA TYR 25 10.786 -3.408 7.177 187 1HB TYR 25 HB2 TYR 25 12.664 -2.926 5.700 188 2HB TYR 25 HB1 TYR 25 11.220 -2.113 5.108 189 HD1 TYR 25 HD1 TYR 25 10.956 0.373 5.648 190 HD2 TYR 25 HD2 TYR 25 14.634 -1.715 6.104 191 HE1 TYR 25 HE1 TYR 25 12.165 2.509 5.603 192 HE2 TYR 25 HE2 TYR 25 15.856 0.421 6.064 193 HH TYR 25 HH TYR 25 14.384 3.394 6.452 194 H LYS 26 HN LYS 26 12.833 -4.264 7.907 195 HA LYS 26 HA LYS 26 14.331 -2.576 9.762 196 1HB LYS 26 HB2 LYS 26 12.462 -3.969 10.921 197 2HB LYS 26 HB1 LYS 26 13.522 -5.340 10.624 198 1HG LYS 26 HG2 LYS 26 15.260 -4.363 11.941 199 2HG LYS 26 HG1 LYS 26 14.347 -2.862 12.109 200 1HD LYS 26 HD2 LYS 26 12.562 -4.184 13.269 201 2HD LYS 26 HD1 LYS 26 13.667 -5.562 13.259 202 1HE LYS 26 HE2 LYS 26 15.298 -4.276 14.531 203 2HE LYS 26 HE1 LYS 26 14.222 -2.874 14.503 204 1HZ LYS 26 HZ1 LYS 26 14.169 -4.207 16.594 205 2HZ LYS 26 HZ2 LYS 26 13.467 -5.476 15.713 206 3HZ LYS 26 HZ3 LYS 26 12.662 -3.984 15.851 207 H GLY 27 HN GLY 27 16.398 -2.738 9.214 208 1HA GLY 27 HA2 GLY 27 18.318 -3.534 8.214 209 2HA GLY 27 HA1 GLY 27 17.694 -5.165 8.463 210 H ASP 28 HN ASP 28 17.962 -6.099 6.457 211 HA ASP 28 HA ASP 28 16.703 -4.678 4.215 212 1HB ASP 28 HB2 ASP 28 19.077 -5.612 3.966 213 2HB ASP 28 HB1 ASP 28 18.328 -7.207 3.953 214 H LYS 29 HN LYS 29 14.720 -5.226 5.479 215 HA LYS 29 HA LYS 29 13.351 -7.314 4.107 216 1HB LYS 29 HB2 LYS 29 14.604 -8.328 6.261 217 2HB LYS 29 HB1 LYS 29 13.185 -7.693 7.062 218 1HG LYS 29 HG2 LYS 29 13.138 -9.630 4.756 219 2HG LYS 29 HG1 LYS 29 12.976 -10.067 6.457 220 1HD LYS 29 HD2 LYS 29 10.937 -8.754 6.624 221 2HD LYS 29 HD1 LYS 29 11.118 -8.224 4.951 222 1HE LYS 29 HE2 LYS 29 9.497 -9.983 5.009 223 2HE LYS 29 HE1 LYS 29 10.960 -10.604 4.247 224 1HZ LYS 29 HZ1 LYS 29 11.562 -11.621 6.381 225 2HZ LYS 29 HZ2 LYS 29 10.080 -12.204 5.796 226 3HZ LYS 29 HZ3 LYS 29 10.106 -11.070 7.059 227 H VAL 30 HN VAL 30 11.434 -6.409 3.711 228 HA VAL 30 HA VAL 30 10.385 -4.375 5.510 229 HB VAL 30 HB VAL 30 9.093 -5.410 2.981 230 1HG1 VAL 30 HG11 VAL 30 7.639 -4.141 4.442 231 2HG1 VAL 30 HG12 VAL 30 8.007 -3.210 2.990 232 3HG1 VAL 30 HG13 VAL 30 8.817 -2.831 4.513 233 1HG2 VAL 30 HG21 VAL 30 11.355 -4.643 2.449 234 2HG2 VAL 30 HG22 VAL 30 11.027 -3.107 3.253 235 3HG2 VAL 30 HG23 VAL 30 10.136 -3.549 1.796 236 H LEU 31 HN LEU 31 8.969 -4.888 7.086 237 HA LEU 31 HA LEU 31 7.979 -7.650 7.063 238 1HB LEU 31 HB2 LEU 31 8.215 -5.795 9.430 239 2HB LEU 31 HB1 LEU 31 7.820 -7.504 9.476 240 HG LEU 31 HG LEU 31 10.194 -7.683 8.260 241 1HD1 LEU 31 HD11 LEU 31 10.419 -5.208 9.958 242 2HD1 LEU 31 HD12 LEU 31 10.579 -5.288 8.204 243 3HD1 LEU 31 HD13 LEU 31 11.764 -6.091 9.236 244 1HD2 LEU 31 HD21 LEU 31 9.874 -7.326 11.235 245 2HD2 LEU 31 HD22 LEU 31 11.177 -8.185 10.405 246 3HD2 LEU 31 HD23 LEU 31 9.528 -8.807 10.335 247 H LYS 32 HN LYS 32 6.899 -4.365 6.995 248 HA LYS 32 HA LYS 32 4.149 -5.378 6.916 249 1HB LYS 32 HB2 LYS 32 4.904 -2.914 8.499 250 2HB LYS 32 HB1 LYS 32 3.293 -3.597 8.324 251 1HG LYS 32 HG2 LYS 32 4.149 -5.655 9.484 252 2HG LYS 32 HG1 LYS 32 5.628 -4.753 9.826 253 1HD LYS 32 HD2 LYS 32 4.270 -4.529 11.748 254 2HD LYS 32 HD1 LYS 32 4.147 -2.993 10.887 255 1HE LYS 32 HE2 LYS 32 1.958 -3.655 11.633 256 2HE LYS 32 HE1 LYS 32 2.031 -3.778 9.875 257 1HZ LYS 32 HZ1 LYS 32 2.179 -6.006 11.838 258 2HZ LYS 32 HZ2 LYS 32 2.473 -6.195 10.180 259 3HZ LYS 32 HZ3 LYS 32 0.942 -5.705 10.716 260 H GLN 33 HN GLN 33 3.242 -4.739 5.103 261 HA GLN 33 HA GLN 33 4.273 -2.315 3.787 262 1HB GLN 33 HB2 GLN 33 4.551 -4.391 2.510 263 2HB GLN 33 HB1 GLN 33 2.827 -4.708 2.631 264 1HG GLN 33 HG2 GLN 33 2.382 -2.671 1.335 265 2HG GLN 33 HG1 GLN 33 4.118 -2.415 1.177 266 1HE2 GLN 33 HE21 GLN 33 2.049 -2.872 -0.849 267 2HE2 GLN 33 HE22 GLN 33 2.574 -4.244 -1.755 268 H SER 34 HN SER 34 2.971 -0.675 4.547 269 HA SER 34 HA SER 34 0.095 -1.102 4.650 270 1HB SER 34 HB2 SER 34 1.592 1.464 5.222 271 2HB SER 34 HB1 SER 34 -0.043 1.033 5.729 272 HG SER 34 HG SER 34 2.390 0.353 6.823 273 H SER 35 HN SER 35 -0.655 -1.233 2.606 274 HA SER 35 HA SER 35 0.063 0.859 0.684 275 1HB SER 35 HB2 SER 35 -1.600 -1.635 0.238 276 2HB SER 35 HB1 SER 35 -0.898 -0.591 -0.997 277 HG SER 35 HG SER 35 0.431 -2.325 0.801 278 H GLU 36 HN GLU 36 -1.150 2.635 1.065 279 HA GLU 36 HA GLU 36 -4.006 2.235 1.685 280 1HB GLU 36 HB2 GLU 36 -2.492 4.760 2.188 281 2HB GLU 36 HB1 GLU 36 -3.928 4.178 2.989 282 1HG GLU 36 HG2 GLU 36 -2.760 2.840 4.414 283 2HG GLU 36 HG1 GLU 36 -1.429 2.604 3.283 284 H THR 37 HN THR 37 -5.238 2.562 -0.081 285 HA THR 37 HA THR 37 -4.300 4.397 -2.159 286 HB THR 37 HB THR 37 -6.275 3.439 -3.446 287 HG1 THR 37 HG1 THR 37 -6.576 1.153 -2.251 288 1HG2 THR 37 HG21 THR 37 -3.966 2.702 -3.810 289 2HG2 THR 37 HG22 THR 37 -5.100 1.360 -3.975 290 3HG2 THR 37 HG23 THR 37 -4.137 1.525 -2.506 291 H LYS 38 HN LYS 38 -4.836 6.450 -1.746 292 HA LYS 38 HA LYS 38 -7.376 7.122 -0.509 293 1HB LYS 38 HB2 LYS 38 -5.242 8.292 0.086 294 2HB LYS 38 HB1 LYS 38 -5.221 8.972 -1.532 295 1HG LYS 38 HG2 LYS 38 -7.383 10.066 -1.061 296 2HG LYS 38 HG1 LYS 38 -7.289 9.459 0.596 297 1HD LYS 38 HD2 LYS 38 -5.316 11.305 -0.750 298 2HD LYS 38 HD1 LYS 38 -6.489 11.752 0.489 299 1HE LYS 38 HE2 LYS 38 -5.356 10.593 2.161 300 2HE LYS 38 HE1 LYS 38 -4.468 9.604 1.003 301 1HZ LYS 38 HZ1 LYS 38 -3.191 11.532 0.359 302 2HZ LYS 38 HZ2 LYS 38 -3.064 11.291 2.033 303 3HZ LYS 38 HZ3 LYS 38 -4.065 12.516 1.425 304 H ILE 39 HN ILE 39 -8.948 6.653 -1.991 305 HA ILE 39 HA ILE 39 -8.663 7.622 -4.730 306 HB ILE 39 HB ILE 39 -10.975 6.069 -3.557 307 1HG1 ILE 39 HG12 ILE 39 -8.521 5.003 -4.979 308 2HG1 ILE 39 HG11 ILE 39 -8.847 4.836 -3.256 309 1HG2 ILE 39 HG21 ILE 39 -11.381 5.448 -5.893 310 2HG2 ILE 39 HG22 ILE 39 -10.019 6.451 -6.392 311 3HG2 ILE 39 HG23 ILE 39 -11.442 7.196 -5.664 312 1HD1 ILE 39 HD11 ILE 39 -10.846 3.519 -3.783 313 2HD1 ILE 39 HD12 ILE 39 -9.374 2.793 -4.428 314 3HD1 ILE 39 HD13 ILE 39 -10.472 3.664 -5.500 315 H GLN 40 HN GLN 40 -9.600 9.441 -5.437 316 HA GLN 40 HA GLN 40 -11.209 11.018 -3.634 317 1HB GLN 40 HB2 GLN 40 -10.542 11.559 -6.534 318 2HB GLN 40 HB1 GLN 40 -11.173 12.713 -5.370 319 1HG GLN 40 HG2 GLN 40 -8.451 11.433 -5.354 320 2HG GLN 40 HG1 GLN 40 -8.837 13.114 -5.711 321 1HE2 GLN 40 HE21 GLN 40 -8.327 10.757 -3.253 322 2HE2 GLN 40 HE22 GLN 40 -8.411 11.837 -1.905 323 H PHE 41 HN PHE 41 -13.371 11.713 -4.044 324 HA PHE 41 HA PHE 41 -15.039 9.673 -5.185 325 1HB PHE 41 HB2 PHE 41 -15.528 12.272 -3.795 326 2HB PHE 41 HB1 PHE 41 -16.844 11.526 -4.688 327 HD1 PHE 41 HD1 PHE 41 -18.331 10.562 -3.244 328 HD2 PHE 41 HD2 PHE 41 -14.169 10.169 -2.462 329 HE1 PHE 41 HE1 PHE 41 -18.834 9.147 -1.295 330 HE2 PHE 41 HE2 PHE 41 -14.665 8.757 -0.513 331 HZ PHE 41 HZ PHE 41 -16.995 8.251 0.076 332 H ALA 42 HN ALA 42 -13.232 11.277 -6.978 333 HA ALA 42 HA ALA 42 -15.314 11.882 -8.966 334 1HB ALA 42 HB1 ALA 42 -14.198 13.953 -8.248 335 2HB ALA 42 HB2 ALA 42 -13.870 13.581 -9.941 336 3HB ALA 42 HB3 ALA 42 -12.642 13.265 -8.715 337 H SER 43 HN SER 43 -12.886 9.854 -8.054 338 HA SER 43 HA SER 43 -12.190 9.176 -10.835 339 1HB SER 43 HB2 SER 43 -10.518 8.540 -8.402 340 2HB SER 43 HB1 SER 43 -10.030 8.503 -10.095 341 HG SER 43 HG SER 43 -10.130 10.739 -10.159 342 H ILE 44 HN ILE 44 -13.645 8.127 -7.943 343 HA ILE 44 HA ILE 44 -13.125 5.311 -8.373 344 HB ILE 44 HB ILE 44 -13.039 5.999 -6.102 345 1HG1 ILE 44 HG12 ILE 44 -15.668 4.568 -6.526 346 2HG1 ILE 44 HG11 ILE 44 -14.086 3.798 -6.523 347 1HG2 ILE 44 HG21 ILE 44 -14.335 8.043 -6.256 348 2HG2 ILE 44 HG22 ILE 44 -14.922 7.040 -4.928 349 3HG2 ILE 44 HG23 ILE 44 -15.819 7.109 -6.445 350 1HD1 ILE 44 HD11 ILE 44 -15.225 3.463 -4.411 351 2HD1 ILE 44 HD12 ILE 44 -15.376 5.208 -4.198 352 3HD1 ILE 44 HD13 ILE 44 -13.782 4.452 -4.187 353 H GLY 45 HN GLY 45 -15.810 7.556 -8.697 354 1HA GLY 45 HA2 GLY 45 -17.720 7.151 -10.041 355 2HA GLY 45 HA1 GLY 45 -17.393 5.423 -9.944 356 H ALA 46 HN ALA 46 -17.399 7.667 -7.256 357 HA ALA 46 HA ALA 46 -19.765 6.276 -6.165 358 1HB ALA 46 HB1 ALA 46 -17.687 5.655 -4.992 359 2HB ALA 46 HB2 ALA 46 -18.819 6.511 -3.945 360 3HB ALA 46 HB3 ALA 46 -17.418 7.357 -4.605 361 H THR 47 HN THR 47 -21.445 7.548 -5.685 362 HA THR 47 HA THR 47 -21.010 10.441 -5.776 363 HB THR 47 HB THR 47 -22.645 9.526 -7.369 364 HG1 THR 47 HG1 THR 47 -23.465 11.310 -5.345 365 1HG2 THR 47 HG21 THR 47 -23.466 7.640 -6.049 366 2HG2 THR 47 HG22 THR 47 -24.795 8.664 -6.587 367 3HG2 THR 47 HG23 THR 47 -24.231 8.759 -4.920 368 H THR 48 HN THR 48 -21.639 7.941 -3.553 369 HA THR 48 HA THR 48 -22.199 9.933 -1.473 370 HB THR 48 HB THR 48 -23.828 8.465 -0.381 371 HG1 THR 48 HG1 THR 48 -24.077 6.839 -2.664 372 1HG2 THR 48 HG21 THR 48 -25.699 8.687 -1.954 373 2HG2 THR 48 HG22 THR 48 -24.559 9.004 -3.262 374 3HG2 THR 48 HG23 THR 48 -24.703 10.143 -1.925 375 H LYS 49 HN LYS 49 -21.908 8.880 0.768 376 HA LYS 49 HA LYS 49 -19.408 7.622 1.019 377 1HB LYS 49 HB2 LYS 49 -21.699 7.426 2.986 378 2HB LYS 49 HB1 LYS 49 -19.994 7.218 3.337 379 1HG LYS 49 HG2 LYS 49 -19.592 9.572 2.917 380 2HG LYS 49 HG1 LYS 49 -21.288 9.797 2.476 381 1HD LYS 49 HD2 LYS 49 -21.898 8.962 4.762 382 2HD LYS 49 HD1 LYS 49 -20.184 9.002 5.168 383 1HE LYS 49 HE2 LYS 49 -21.821 11.373 4.279 384 2HE LYS 49 HE1 LYS 49 -21.404 10.996 5.948 385 1HZ LYS 49 HZ1 LYS 49 -19.022 11.123 5.206 386 2HZ LYS 49 HZ2 LYS 49 -19.864 12.590 5.225 387 3HZ LYS 49 HZ3 LYS 49 -19.585 11.795 3.754 388 H GLU 50 HN GLU 50 -22.675 6.391 0.820 389 HA GLU 50 HA GLU 50 -22.026 3.705 1.531 390 1HB GLU 50 HB2 GLU 50 -24.501 4.796 0.185 391 2HB GLU 50 HB1 GLU 50 -24.349 3.233 0.984 392 1HG GLU 50 HG2 GLU 50 -23.968 4.332 3.112 393 2HG GLU 50 HG1 GLU 50 -24.043 5.909 2.330 394 H ASP 51 HN ASP 51 -22.534 5.437 -1.511 395 HA ASP 51 HA ASP 51 -22.302 3.213 -3.216 396 1HB ASP 51 HB2 ASP 51 -21.801 6.144 -3.581 397 2HB ASP 51 HB1 ASP 51 -21.316 5.015 -4.842 398 H ALA 52 HN ALA 52 -19.893 5.320 -1.755 399 HA ALA 52 HA ALA 52 -17.626 4.256 -3.019 400 1HB ALA 52 HB1 ALA 52 -17.841 5.455 -0.259 401 2HB ALA 52 HB2 ALA 52 -17.580 6.349 -1.757 402 3HB ALA 52 HB3 ALA 52 -16.353 5.224 -1.175 403 H ALA 53 HN ALA 53 -19.258 3.338 0.002 404 HA ALA 53 HA ALA 53 -17.454 1.287 0.707 405 1HB ALA 53 HB1 ALA 53 -19.086 2.281 2.274 406 2HB ALA 53 HB2 ALA 53 -19.138 0.516 2.245 407 3HB ALA 53 HB3 ALA 53 -20.381 1.451 1.408 408 H LYS 54 HN LYS 54 -20.484 1.238 -1.134 409 HA LYS 54 HA LYS 54 -20.680 -1.512 -1.536 410 1HB LYS 54 HB2 LYS 54 -22.478 0.065 -2.083 411 2HB LYS 54 HB1 LYS 54 -21.515 0.724 -3.396 412 1HG LYS 54 HG2 LYS 54 -21.666 -1.321 -4.624 413 2HG LYS 54 HG1 LYS 54 -22.425 -2.141 -3.261 414 1HD LYS 54 HD2 LYS 54 -24.139 -1.620 -4.834 415 2HD LYS 54 HD1 LYS 54 -24.335 -0.536 -3.460 416 1HE LYS 54 HE2 LYS 54 -22.854 0.252 -5.960 417 2HE LYS 54 HE1 LYS 54 -24.590 0.482 -5.776 418 1HZ LYS 54 HZ1 LYS 54 -22.444 1.702 -4.135 419 2HZ LYS 54 HZ2 LYS 54 -24.092 1.816 -3.762 420 3HZ LYS 54 HZ3 LYS 54 -23.497 2.501 -5.195 421 H THR 55 HN THR 55 -18.531 0.794 -2.963 422 HA THR 55 HA THR 55 -17.694 -1.072 -5.032 423 HB THR 55 HB THR 55 -16.669 1.706 -4.407 424 HG1 THR 55 HG1 THR 55 -18.334 0.924 -6.581 425 1HG2 THR 55 HG21 THR 55 -15.015 0.380 -5.605 426 2HG2 THR 55 HG22 THR 55 -15.703 1.604 -6.673 427 3HG2 THR 55 HG23 THR 55 -16.223 -0.077 -6.805 428 H LEU 56 HN LEU 56 -16.356 0.477 -2.109 429 HA LEU 56 HA LEU 56 -13.768 -0.706 -2.574 430 1HB LEU 56 HB2 LEU 56 -14.835 0.998 -0.341 431 2HB LEU 56 HB1 LEU 56 -13.196 0.376 -0.379 432 HG LEU 56 HG LEU 56 -14.421 2.266 -2.388 433 1HD1 LEU 56 HD11 LEU 56 -12.279 2.679 -0.306 434 2HD1 LEU 56 HD12 LEU 56 -13.927 3.303 -0.232 435 3HD1 LEU 56 HD13 LEU 56 -12.824 3.872 -1.485 436 1HD2 LEU 56 HD21 LEU 56 -12.161 2.383 -3.331 437 2HD2 LEU 56 HD22 LEU 56 -12.836 0.760 -3.452 438 3HD2 LEU 56 HD23 LEU 56 -11.636 1.125 -2.213 439 H GLU 57 HN GLU 57 -16.522 -1.444 -0.502 440 HA GLU 57 HA GLU 57 -15.206 -3.028 1.377 441 1HB GLU 57 HB2 GLU 57 -18.019 -3.239 0.328 442 2HB GLU 57 HB1 GLU 57 -17.404 -4.249 1.629 443 1HG GLU 57 HG2 GLU 57 -16.813 -2.095 2.823 444 2HG GLU 57 HG1 GLU 57 -17.787 -1.274 1.606 445 HA PRO 58 HA PRO 58 -15.879 -6.882 -1.498 446 1HB PRO 58 HB2 PRO 58 -16.184 -6.325 -4.163 447 2HB PRO 58 HB1 PRO 58 -17.525 -6.657 -3.062 448 1HG PRO 58 HG2 PRO 58 -16.473 -4.033 -4.035 449 2HG PRO 58 HG1 PRO 58 -18.153 -4.555 -3.814 450 1HD PRO 58 HD2 PRO 58 -16.908 -2.962 -2.039 451 2HD PRO 58 HD1 PRO 58 -18.103 -4.174 -1.537 452 H LEU 59 HN LEU 59 -14.230 -3.967 -2.485 453 HA LEU 59 HA LEU 59 -12.173 -5.288 -3.983 454 1HB LEU 59 HB2 LEU 59 -12.335 -2.518 -2.803 455 2HB LEU 59 HB1 LEU 59 -10.974 -3.086 -3.747 456 HG LEU 59 HG LEU 59 -13.814 -2.774 -4.728 457 1HD1 LEU 59 HD11 LEU 59 -11.296 -1.260 -5.404 458 2HD1 LEU 59 HD12 LEU 59 -12.632 -0.658 -4.423 459 3HD1 LEU 59 HD13 LEU 59 -12.884 -1.014 -6.132 460 1HD2 LEU 59 HD21 LEU 59 -11.337 -3.688 -6.186 461 2HD2 LEU 59 HD22 LEU 59 -12.896 -3.336 -6.931 462 3HD2 LEU 59 HD23 LEU 59 -12.743 -4.677 -5.796 463 H SER 60 HN SER 60 -12.225 -3.706 -0.789 464 HA SER 60 HA SER 60 -9.686 -4.628 0.000 465 1HB SER 60 HB2 SER 60 -10.566 -4.123 2.339 466 2HB SER 60 HB1 SER 60 -10.597 -2.786 1.189 467 HG SER 60 HG SER 60 -12.782 -3.070 0.928 468 H ALA 61 HN ALA 61 -12.870 -6.048 0.120 469 HA ALA 61 HA ALA 61 -12.299 -8.165 1.906 470 1HB ALA 61 HB1 ALA 61 -14.398 -8.045 -0.252 471 2HB ALA 61 HB2 ALA 61 -14.577 -7.430 1.391 472 3HB ALA 61 HB3 ALA 61 -14.366 -9.160 1.114 473 H LYS 62 HN LYS 62 -11.152 -7.629 -1.209 474 HA LYS 62 HA LYS 62 -11.065 -10.318 -2.143 475 1HB LYS 62 HB2 LYS 62 -9.363 -7.931 -2.875 476 2HB LYS 62 HB1 LYS 62 -9.318 -9.480 -3.707 477 1HG LYS 62 HG2 LYS 62 -11.660 -9.213 -4.335 478 2HG LYS 62 HG1 LYS 62 -11.707 -7.662 -3.497 479 1HD LYS 62 HD2 LYS 62 -9.931 -6.839 -5.012 480 2HD LYS 62 HD1 LYS 62 -10.012 -8.369 -5.890 481 1HE LYS 62 HE2 LYS 62 -12.288 -6.423 -5.528 482 2HE LYS 62 HE1 LYS 62 -11.314 -6.596 -6.986 483 1HZ LYS 62 HZ1 LYS 62 -13.559 -7.782 -6.862 484 2HZ LYS 62 HZ2 LYS 62 -12.768 -8.910 -5.869 485 3HZ LYS 62 HZ3 LYS 62 -12.231 -8.650 -7.455 486 H TYR 63 HN TYR 63 -9.133 -8.410 0.016 487 HA TYR 63 HA TYR 63 -6.947 -10.235 0.199 488 1HB TYR 63 HB2 TYR 63 -7.959 -8.045 2.020 489 2HB TYR 63 HB1 TYR 63 -6.559 -9.036 2.420 490 HD1 TYR 63 HD1 TYR 63 -7.848 -6.411 0.194 491 HD2 TYR 63 HD2 TYR 63 -4.482 -8.792 1.230 492 HE1 TYR 63 HE1 TYR 63 -6.395 -4.927 -1.127 493 HE2 TYR 63 HE2 TYR 63 -3.022 -7.320 -0.081 494 HH TYR 63 HH TYR 63 -3.227 -5.746 -1.977 495 H LYS 64 HN LYS 64 -9.676 -9.546 2.372 496 HA LYS 64 HA LYS 64 -11.030 -10.924 3.583 497 1HB LYS 64 HB2 LYS 64 -10.969 -12.221 1.381 498 2HB LYS 64 HB1 LYS 64 -9.751 -13.241 2.131 499 1HG LYS 64 HG2 LYS 64 -11.381 -13.829 3.893 500 2HG LYS 64 HG1 LYS 64 -12.600 -12.878 3.037 501 1HD LYS 64 HD2 LYS 64 -11.133 -15.293 1.971 502 2HD LYS 64 HD1 LYS 64 -12.821 -15.235 2.479 503 1HE LYS 64 HE2 LYS 64 -11.654 -13.599 0.230 504 2HE LYS 64 HE1 LYS 64 -12.506 -15.125 0.014 505 1HZ LYS 64 HZ1 LYS 64 -14.480 -14.137 0.965 506 2HZ LYS 64 HZ2 LYS 64 -13.945 -13.206 -0.349 507 3HZ LYS 64 HZ3 LYS 64 -13.666 -12.674 1.235 508 H ASN 65 HN ASN 65 -8.621 -10.066 4.636 509 HA ASN 65 HA ASN 65 -7.153 -10.390 6.334 510 1HB ASN 65 HB2 ASN 65 -9.002 -12.658 7.110 511 2HB ASN 65 HB1 ASN 65 -7.815 -11.885 8.154 512 1HD2 ASN 65 HD21 ASN 65 -8.425 -9.204 7.096 513 2HD2 ASN 65 HD22 ASN 65 -9.950 -8.763 7.784 514 H ILE 66 HN ILE 66 -6.072 -11.274 4.174 515 HA ILE 66 HA ILE 66 -5.287 -13.897 3.871 516 HB ILE 66 HB ILE 66 -3.551 -11.466 3.452 517 1HG1 ILE 66 HG12 ILE 66 -5.360 -12.931 1.526 518 2HG1 ILE 66 HG11 ILE 66 -5.708 -11.368 2.255 519 1HG2 ILE 66 HG21 ILE 66 -3.338 -14.243 2.297 520 2HG2 ILE 66 HG22 ILE 66 -2.233 -13.502 3.455 521 3HG2 ILE 66 HG23 ILE 66 -2.357 -12.858 1.817 522 1HD1 ILE 66 HD11 ILE 66 -3.494 -12.010 0.326 523 2HD1 ILE 66 HD12 ILE 66 -3.710 -10.456 1.132 524 3HD1 ILE 66 HD13 ILE 66 -4.941 -11.047 0.018 525 H ALA 67 HN ALA 67 -3.159 -11.510 5.338 526 HA ALA 67 HA ALA 67 -2.502 -13.250 7.545 527 1HB ALA 67 HB1 ALA 67 -1.126 -14.192 5.770 528 2HB ALA 67 HB2 ALA 67 -0.124 -13.418 7.000 529 3HB ALA 67 HB3 ALA 67 -0.422 -12.605 5.463 530 H GLY 68 HN GLY 68 -2.851 -11.715 9.037 531 1HA GLY 68 HA2 GLY 68 -2.478 -9.865 10.338 532 2HA GLY 68 HA1 GLY 68 -0.875 -9.816 9.618 533 H VAL 69 HN VAL 69 -3.643 -9.594 7.559 534 HA VAL 69 HA VAL 69 -2.740 -6.971 6.759 535 HB VAL 69 HB VAL 69 -4.458 -7.164 4.945 536 1HG1 VAL 69 HG11 VAL 69 -2.460 -9.416 5.144 537 2HG1 VAL 69 HG12 VAL 69 -2.125 -7.773 4.588 538 3HG1 VAL 69 HG13 VAL 69 -3.203 -8.817 3.659 539 1HG2 VAL 69 HG21 VAL 69 -6.014 -8.680 6.028 540 2HG2 VAL 69 HG22 VAL 69 -4.790 -9.952 6.046 541 3HG2 VAL 69 HG23 VAL 69 -5.434 -9.371 4.512 542 H GLU 70 HN GLU 70 -3.474 -5.224 7.595 543 HA GLU 70 HA GLU 70 -6.086 -5.172 8.882 544 1HB GLU 70 HB2 GLU 70 -3.896 -3.087 8.765 545 2HB GLU 70 HB1 GLU 70 -5.381 -2.952 9.701 546 1HG GLU 70 HG2 GLU 70 -4.731 -4.866 11.044 547 2HG GLU 70 HG1 GLU 70 -3.269 -5.063 10.083 548 H GLU 71 HN GLU 71 -7.455 -5.217 7.195 549 HA GLU 71 HA GLU 71 -7.225 -3.275 5.054 550 1HB GLU 71 HB2 GLU 71 -9.447 -4.520 4.377 551 2HB GLU 71 HB1 GLU 71 -7.887 -5.299 4.146 552 1HG GLU 71 HG2 GLU 71 -8.232 -6.402 6.383 553 2HG GLU 71 HG1 GLU 71 -9.878 -5.779 6.348 554 H LYS 72 HN LYS 72 -7.671 -1.308 5.877 555 HA LYS 72 HA LYS 72 -10.189 -0.978 7.381 556 1HB LYS 72 HB2 LYS 72 -7.700 0.732 7.531 557 2HB LYS 72 HB1 LYS 72 -9.149 0.911 8.509 558 1HG LYS 72 HG2 LYS 72 -8.731 -1.207 9.590 559 2HG LYS 72 HG1 LYS 72 -7.335 -1.491 8.546 560 1HD LYS 72 HD2 LYS 72 -6.283 0.552 9.475 561 2HD LYS 72 HD1 LYS 72 -7.652 0.719 10.576 562 1HE LYS 72 HE2 LYS 72 -5.758 -1.624 10.457 563 2HE LYS 72 HE1 LYS 72 -5.729 -0.338 11.661 564 1HZ LYS 72 HZ1 LYS 72 -7.869 -2.358 11.246 565 2HZ LYS 72 HZ2 LYS 72 -8.023 -1.018 12.273 566 3HZ LYS 72 HZ3 LYS 72 -6.850 -2.197 12.593 567 H LEU 73 HN LEU 73 -11.701 0.185 6.419 568 HA LEU 73 HA LEU 73 -10.945 1.849 4.124 569 1HB LEU 73 HB2 LEU 73 -13.599 0.663 4.942 570 2HB LEU 73 HB1 LEU 73 -13.374 1.718 3.557 571 HG LEU 73 HG LEU 73 -11.960 -0.930 3.873 572 1HD1 LEU 73 HD11 LEU 73 -14.361 -1.309 3.766 573 2HD1 LEU 73 HD12 LEU 73 -13.578 -1.811 2.266 574 3HD1 LEU 73 HD13 LEU 73 -14.471 -0.290 2.330 575 1HD2 LEU 73 HD21 LEU 73 -10.844 0.642 2.397 576 2HD2 LEU 73 HD22 LEU 73 -12.349 0.913 1.517 577 3HD2 LEU 73 HD23 LEU 73 -11.568 -0.668 1.466 578 H THR 74 HN THR 74 -10.682 3.938 4.610 579 HA THR 74 HA THR 74 -12.323 5.096 6.747 580 HB THR 74 HB THR 74 -10.711 7.010 6.651 581 HG1 THR 74 HG1 THR 74 -9.891 6.798 4.576 582 1HG2 THR 74 HG21 THR 74 -10.408 5.214 8.284 583 2HG2 THR 74 HG22 THR 74 -8.854 5.829 7.722 584 3HG2 THR 74 HG23 THR 74 -9.470 4.297 7.105 585 H TYR 75 HN TYR 75 -14.097 6.099 6.121 586 HA TYR 75 HA TYR 75 -14.169 7.328 3.444 587 1HB TYR 75 HB2 TYR 75 -16.446 6.363 5.188 588 2HB TYR 75 HB1 TYR 75 -16.632 7.128 3.615 589 HD1 TYR 75 HD1 TYR 75 -15.689 5.947 1.586 590 HD2 TYR 75 HD2 TYR 75 -16.075 4.046 5.373 591 HE1 TYR 75 HE1 TYR 75 -15.542 3.751 0.494 592 HE2 TYR 75 HE2 TYR 75 -15.927 1.845 4.288 593 HH TYR 75 HH TYR 75 -14.933 1.450 1.065 594 H THR 76 HN THR 76 -13.568 9.423 3.763 595 HA THR 76 HA THR 76 -14.589 10.951 5.971 596 HB THR 76 HB THR 76 -13.314 12.099 3.498 597 HG1 THR 76 HG1 THR 76 -11.516 11.746 5.439 598 1HG2 THR 76 HG21 THR 76 -13.275 12.964 6.393 599 2HG2 THR 76 HG22 THR 76 -14.280 13.672 5.129 600 3HG2 THR 76 HG23 THR 76 -12.525 13.814 5.041 601 H ASP 77 HN ASP 77 -14.789 11.662 2.533 602 HA ASP 77 HA ASP 77 -17.491 11.353 2.107 603 1HB ASP 77 HB2 ASP 77 -17.734 13.167 3.836 604 2HB ASP 77 HB1 ASP 77 -16.915 14.257 2.717 605 H THR 78 HN THR 78 -14.883 13.673 1.502 606 HA THR 78 HA THR 78 -15.610 13.840 -1.310 607 HB THR 78 HB THR 78 -13.241 15.131 0.053 608 HG1 THR 78 HG1 THR 78 -15.963 15.984 -0.135 609 1HG2 THR 78 HG21 THR 78 -14.856 15.943 -2.373 610 2HG2 THR 78 HG22 THR 78 -13.265 15.184 -2.416 611 3HG2 THR 78 HG23 THR 78 -13.454 16.794 -1.722 612 H TYR 79 HN TYR 79 -13.652 11.933 0.661 613 HA TYR 79 HA TYR 79 -12.566 10.593 -1.628 614 1HB TYR 79 HB2 TYR 79 -10.236 10.722 -1.039 615 2HB TYR 79 HB1 TYR 79 -10.860 12.359 -1.176 616 HD1 TYR 79 HD1 TYR 79 -9.524 9.823 1.099 617 HD2 TYR 79 HD2 TYR 79 -11.034 13.792 0.796 618 HE1 TYR 79 HE1 TYR 79 -8.596 10.339 3.315 619 HE2 TYR 79 HE2 TYR 79 -10.111 14.313 3.016 620 HH TYR 79 HH TYR 79 -9.391 13.204 5.039 621 H ALA 80 HN ALA 80 -11.743 8.524 -1.136 622 HA ALA 80 HA ALA 80 -12.342 7.554 1.576 623 1HB ALA 80 HB1 ALA 80 -13.046 6.167 -1.014 624 2HB ALA 80 HB2 ALA 80 -14.188 6.932 0.092 625 3HB ALA 80 HB3 ALA 80 -13.279 5.511 0.607 626 H GLN 81 HN GLN 81 -10.711 6.421 2.438 627 HA GLN 81 HA GLN 81 -8.467 5.809 0.635 628 1HB GLN 81 HB2 GLN 81 -8.147 7.615 2.379 629 2HB GLN 81 HB1 GLN 81 -8.298 6.360 3.595 630 1HG GLN 81 HG2 GLN 81 -6.315 5.291 2.875 631 2HG GLN 81 HG1 GLN 81 -6.236 6.277 1.415 632 1HE2 GLN 81 HE21 GLN 81 -4.288 5.900 3.603 633 2HE2 GLN 81 HE22 GLN 81 -3.959 7.488 4.197 634 H GLU 82 HN GLU 82 -8.277 3.738 0.250 635 HA GLU 82 HA GLU 82 -9.169 1.757 2.167 636 1HB GLU 82 HB2 GLU 82 -9.554 1.448 -0.265 637 2HB GLU 82 HB1 GLU 82 -7.818 1.409 -0.522 638 1HG GLU 82 HG2 GLU 82 -7.654 -0.621 0.815 639 2HG GLU 82 HG1 GLU 82 -9.394 -0.575 1.102 640 H ASN 83 HN ASN 83 -7.836 1.890 3.891 641 HA ASN 83 HA ASN 83 -4.953 1.976 3.544 642 1HB ASN 83 HB2 ASN 83 -6.736 2.022 5.987 643 2HB ASN 83 HB1 ASN 83 -4.981 1.962 6.089 644 1HD2 ASN 83 HD21 ASN 83 -7.733 3.897 5.171 645 2HD2 ASN 83 HD22 ASN 83 -6.894 5.403 5.121 646 H VAL 84 HN VAL 84 -4.130 0.060 2.901 647 HA VAL 84 HA VAL 84 -5.113 -2.340 4.338 648 HB VAL 84 HB VAL 84 -3.840 -2.314 1.598 649 1HG1 VAL 84 HG11 VAL 84 -4.683 -4.620 1.480 650 2HG1 VAL 84 HG12 VAL 84 -5.259 -4.486 3.142 651 3HG1 VAL 84 HG13 VAL 84 -3.530 -4.405 2.797 652 1HG2 VAL 84 HG21 VAL 84 -6.083 -2.750 0.723 653 2HG2 VAL 84 HG22 VAL 84 -6.004 -1.186 1.536 654 3HG2 VAL 84 HG23 VAL 84 -6.754 -2.563 2.344 655 H THR 85 HN THR 85 -3.722 -2.772 5.914 656 HA THR 85 HA THR 85 -0.854 -2.421 5.413 657 HB THR 85 HB THR 85 -2.248 -3.003 8.035 658 HG1 THR 85 HG1 THR 85 -1.935 -0.689 6.577 659 1HG2 THR 85 HG21 THR 85 0.146 -3.611 7.954 660 2HG2 THR 85 HG22 THR 85 -0.163 -2.270 9.055 661 3HG2 THR 85 HG23 THR 85 0.532 -1.961 7.463 662 H ILE 86 HN ILE 86 0.026 -4.178 4.508 663 HA ILE 86 HA ILE 86 -0.996 -6.826 5.201 664 HB ILE 86 HB ILE 86 1.051 -6.028 3.116 665 1HG1 ILE 86 HG12 ILE 86 -0.938 -6.909 1.616 666 2HG1 ILE 86 HG11 ILE 86 -1.910 -6.447 3.007 667 1HG2 ILE 86 HG21 ILE 86 1.418 -8.292 3.880 668 2HG2 ILE 86 HG22 ILE 86 0.753 -8.303 2.246 669 3HG2 ILE 86 HG23 ILE 86 -0.283 -8.677 3.623 670 1HD1 ILE 86 HD11 ILE 86 -1.855 -4.675 1.369 671 2HD1 ILE 86 HD12 ILE 86 -0.094 -4.639 1.430 672 3HD1 ILE 86 HD13 ILE 86 -1.038 -4.164 2.845 673 H ASP 87 HN ASP 87 0.004 -8.092 6.653 674 HA ASP 87 HA ASP 87 2.623 -7.347 7.643 675 1HB ASP 87 HB2 ASP 87 0.823 -8.152 9.186 676 2HB ASP 87 HB1 ASP 87 0.944 -9.736 8.424 677 H MET 88 HN MET 88 4.422 -8.063 6.789 678 HA MET 88 HA MET 88 4.204 -10.049 4.658 679 1HB MET 88 HB2 MET 88 6.549 -8.250 5.272 680 2HB MET 88 HB1 MET 88 6.169 -9.050 3.750 681 1HG MET 88 HG2 MET 88 4.326 -7.620 3.350 682 2HG MET 88 HG1 MET 88 4.387 -6.971 4.986 683 1HE MET 88 HE1 MET 88 6.791 -7.493 1.897 684 2HE MET 88 HE2 MET 88 7.048 -5.807 1.441 685 3HE MET 88 HE3 MET 88 5.432 -6.511 1.347 686 H GLU 89 HN GLU 89 4.572 -10.422 7.716 687 HA GLU 89 HA GLU 89 6.936 -12.166 7.619 688 1HB GLU 89 HB2 GLU 89 5.352 -10.947 9.867 689 2HB GLU 89 HB1 GLU 89 6.396 -12.332 10.151 690 1HG GLU 89 HG2 GLU 89 7.353 -9.760 8.925 691 2HG GLU 89 HG1 GLU 89 7.400 -10.099 10.656 692 H LYS 90 HN LYS 90 3.685 -12.268 7.105 693 HA LYS 90 HA LYS 90 3.545 -15.135 7.740 694 1HB LYS 90 HB2 LYS 90 2.452 -13.555 9.488 695 2HB LYS 90 HB1 LYS 90 1.221 -13.291 8.263 696 1HG LYS 90 HG2 LYS 90 0.920 -15.807 8.224 697 2HG LYS 90 HG1 LYS 90 1.911 -15.844 9.684 698 1HD LYS 90 HD2 LYS 90 -0.725 -14.424 9.305 699 2HD LYS 90 HD1 LYS 90 -0.410 -15.829 10.321 700 1HE LYS 90 HE2 LYS 90 0.809 -13.098 10.711 701 2HE LYS 90 HE1 LYS 90 -0.579 -13.722 11.599 702 1HZ LYS 90 HZ1 LYS 90 0.808 -15.467 12.510 703 2HZ LYS 90 HZ2 LYS 90 1.490 -13.950 12.842 704 3HZ LYS 90 HZ3 LYS 90 2.141 -14.922 11.614 705 H VAL 91 HN VAL 91 3.490 -12.926 5.424 706 HA VAL 91 HA VAL 91 1.075 -12.800 4.153 707 HB VAL 91 HB VAL 91 2.633 -12.749 1.979 708 1HG1 VAL 91 HG11 VAL 91 1.322 -10.890 2.775 709 2HG1 VAL 91 HG12 VAL 91 2.965 -10.347 2.430 710 3HG1 VAL 91 HG13 VAL 91 2.456 -10.616 4.099 711 1HG2 VAL 91 HG21 VAL 91 4.507 -12.207 4.277 712 2HG2 VAL 91 HG22 VAL 91 4.847 -11.875 2.578 713 3HG2 VAL 91 HG23 VAL 91 4.619 -13.537 3.125 714 H ASP 92 HN ASP 92 -0.224 -14.104 3.123 715 HA ASP 92 HA ASP 92 0.806 -16.600 1.988 716 1HB ASP 92 HB2 ASP 92 -1.212 -16.883 3.308 717 2HB ASP 92 HB1 ASP 92 -2.029 -15.607 2.409 718 H PHE 93 HN PHE 93 1.782 -16.085 0.112 719 HA PHE 93 HA PHE 93 0.905 -13.953 -1.554 720 1HB PHE 93 HB2 PHE 93 2.931 -16.140 -2.016 721 2HB PHE 93 HB1 PHE 93 2.635 -14.826 -3.149 722 HD1 PHE 93 HD1 PHE 93 2.778 -12.421 -2.100 723 HD2 PHE 93 HD2 PHE 93 4.596 -15.900 -0.461 724 HE1 PHE 93 HE1 PHE 93 4.379 -11.003 -0.884 725 HE2 PHE 93 HE2 PHE 93 6.202 -14.491 0.763 726 HZ PHE 93 HZ PHE 93 6.093 -12.038 0.553 727 H LYS 94 HN LYS 94 -0.166 -17.147 -1.256 728 HA LYS 94 HA LYS 94 -0.839 -17.762 -3.917 729 1HB LYS 94 HB2 LYS 94 -2.180 -18.563 -1.329 730 2HB LYS 94 HB1 LYS 94 -2.565 -19.257 -2.897 731 1HG LYS 94 HG2 LYS 94 0.133 -19.373 -1.564 732 2HG LYS 94 HG1 LYS 94 -1.060 -20.674 -1.579 733 1HD LYS 94 HD2 LYS 94 -0.951 -20.691 -4.052 734 2HD LYS 94 HD1 LYS 94 0.316 -19.465 -3.976 735 1HE LYS 94 HE2 LYS 94 1.749 -20.983 -2.750 736 2HE LYS 94 HE1 LYS 94 0.473 -22.198 -2.712 737 1HZ LYS 94 HZ1 LYS 94 2.043 -22.710 -4.433 738 2HZ LYS 94 HZ2 LYS 94 1.858 -21.175 -5.131 739 3HZ LYS 94 HZ3 LYS 94 0.566 -22.272 -5.148 740 H ALA 95 HN ALA 95 -2.687 -16.161 -1.348 741 HA ALA 95 HA ALA 95 -4.854 -15.503 -3.128 742 1HB ALA 95 HB1 ALA 95 -5.766 -14.290 -1.196 743 2HB ALA 95 HB2 ALA 95 -4.263 -14.582 -0.314 744 3HB ALA 95 HB3 ALA 95 -5.295 -15.937 -0.777 745 H LEU 96 HN LEU 96 -2.185 -13.779 -1.578 746 HA LEU 96 HA LEU 96 -2.961 -11.181 -2.286 747 1HB LEU 96 HB2 LEU 96 -1.340 -11.715 -0.522 748 2HB LEU 96 HB1 LEU 96 -0.196 -12.268 -1.727 749 HG LEU 96 HG LEU 96 -1.155 -9.457 -1.937 750 1HD1 LEU 96 HD11 LEU 96 0.819 -10.404 0.126 751 2HD1 LEU 96 HD12 LEU 96 -0.745 -9.641 0.428 752 3HD1 LEU 96 HD13 LEU 96 0.553 -8.723 -0.338 753 1HD2 LEU 96 HD21 LEU 96 1.161 -9.095 -2.645 754 2HD2 LEU 96 HD22 LEU 96 0.392 -10.367 -3.594 755 3HD2 LEU 96 HD23 LEU 96 1.526 -10.789 -2.312 756 H GLN 97 HN GLN 97 -1.410 -13.646 -4.167 757 HA GLN 97 HA GLN 97 -0.084 -12.120 -6.086 758 1HB GLN 97 HB2 GLN 97 0.108 -14.571 -5.905 759 2HB GLN 97 HB1 GLN 97 -1.543 -14.742 -6.481 760 1HG GLN 97 HG2 GLN 97 -0.927 -13.805 -8.626 761 2HG GLN 97 HG1 GLN 97 0.717 -13.525 -8.056 762 1HE2 GLN 97 HE21 GLN 97 1.568 -14.788 -9.699 763 2HE2 GLN 97 HE22 GLN 97 1.474 -16.518 -9.677 764 H GLY 98 HN GLY 98 -3.479 -12.648 -5.602 765 1HA GLY 98 HA2 GLY 98 -4.187 -11.756 -8.268 766 2HA GLY 98 HA1 GLY 98 -5.301 -12.202 -6.986 767 H ILE 99 HN ILE 99 -3.792 -10.310 -5.121 768 HA ILE 99 HA ILE 99 -5.198 -7.900 -6.086 769 HB ILE 99 HB ILE 99 -4.831 -8.480 -3.161 770 1HG1 ILE 99 HG12 ILE 99 -7.391 -9.137 -3.419 771 2HG1 ILE 99 HG11 ILE 99 -6.860 -9.648 -5.017 772 1HG2 ILE 99 HG21 ILE 99 -6.778 -6.991 -2.962 773 2HG2 ILE 99 HG22 ILE 99 -6.809 -6.812 -4.717 774 3HG2 ILE 99 HG23 ILE 99 -5.429 -6.215 -3.793 775 1HD1 ILE 99 HD11 ILE 99 -5.228 -11.134 -4.006 776 2HD1 ILE 99 HD12 ILE 99 -6.857 -11.489 -3.432 777 3HD1 ILE 99 HD13 ILE 99 -5.730 -10.607 -2.401 778 H SER 100 HN SER 100 -3.588 -6.587 -6.777 779 HA SER 100 HA SER 100 -1.915 -5.399 -4.800 780 1HB SER 100 HB2 SER 100 0.255 -5.902 -5.937 781 2HB SER 100 HB1 SER 100 -0.497 -7.315 -5.197 782 HG SER 100 HG SER 100 -1.231 -7.937 -7.244 783 H GLY 101 HN GLY 101 -2.079 -5.893 -8.282 784 1HA GLY 101 HA2 GLY 101 -2.264 -4.384 -10.023 785 2HA GLY 101 HA1 GLY 101 -2.711 -3.160 -8.840 786 H ILE 102 HN ILE 102 0.193 -4.913 -8.368 787 HA ILE 102 HA ILE 102 1.737 -2.454 -8.786 788 HB ILE 102 HB ILE 102 2.454 -4.999 -7.305 789 1HG1 ILE 102 HG12 ILE 102 1.778 -2.277 -6.178 790 2HG1 ILE 102 HG11 ILE 102 0.626 -3.602 -6.295 791 1HG2 ILE 102 HG21 ILE 102 3.924 -2.363 -7.414 792 2HG2 ILE 102 HG22 ILE 102 4.437 -3.865 -8.186 793 3HG2 ILE 102 HG23 ILE 102 4.367 -3.758 -6.426 794 1HD1 ILE 102 HD11 ILE 102 2.029 -4.949 -4.813 795 2HD1 ILE 102 HD12 ILE 102 1.541 -3.431 -4.057 796 3HD1 ILE 102 HD13 ILE 102 3.176 -3.612 -4.694 797 H ASN 103 HN ASN 103 3.447 -2.380 -10.226 798 HA ASN 103 HA ASN 103 3.730 -4.494 -12.143 799 1HB ASN 103 HB2 ASN 103 4.082 -2.123 -12.765 800 2HB ASN 103 HB1 ASN 103 5.480 -2.058 -11.697 801 1HD2 ASN 103 HD21 ASN 103 7.380 -3.075 -12.313 802 2HD2 ASN 103 HD22 ASN 103 7.663 -3.619 -13.935 803 H VAL 104 HN VAL 104 4.148 -6.179 -10.647 804 HA VAL 104 HA VAL 104 6.980 -6.356 -9.904 805 HB VAL 104 HB VAL 104 5.693 -5.818 -7.867 806 1HG1 VAL 104 HG11 VAL 104 4.083 -7.421 -6.951 807 2HG1 VAL 104 HG12 VAL 104 4.206 -8.378 -8.427 808 3HG1 VAL 104 HG13 VAL 104 3.541 -6.746 -8.487 809 1HG2 VAL 104 HG21 VAL 104 6.740 -8.646 -7.924 810 2HG2 VAL 104 HG22 VAL 104 6.459 -7.691 -6.468 811 3HG2 VAL 104 HG23 VAL 104 7.683 -7.184 -7.633 812 H SER 105 HN SER 105 7.850 -8.418 -10.054 813 HA SER 105 HA SER 105 6.510 -10.194 -11.859 814 1HB SER 105 HB2 SER 105 8.914 -9.876 -12.049 815 2HB SER 105 HB1 SER 105 9.151 -10.421 -10.389 816 HG SER 105 HG SER 105 9.584 -12.066 -11.933 817 H ALA 106 HN ALA 106 5.550 -12.132 -11.414 818 HA ALA 106 HA ALA 106 4.729 -12.741 -8.771 819 1HB ALA 106 HB1 ALA 106 4.738 -14.529 -11.204 820 2HB ALA 106 HB2 ALA 106 3.441 -13.425 -10.748 821 3HB ALA 106 HB3 ALA 106 3.831 -14.801 -9.717 822 H GLU 107 HN GLU 107 7.499 -13.467 -10.662 823 HA GLU 107 HA GLU 107 8.449 -15.677 -9.113 824 1HB GLU 107 HB2 GLU 107 10.013 -13.759 -10.853 825 2HB GLU 107 HB1 GLU 107 10.568 -15.320 -10.270 826 1HG GLU 107 HG2 GLU 107 8.827 -16.422 -11.592 827 2HG GLU 107 HG1 GLU 107 8.309 -14.848 -12.196 828 H ASP 108 HN ASP 108 8.379 -12.264 -8.720 829 HA ASP 108 HA ASP 108 10.720 -12.187 -6.989 830 1HB ASP 108 HB2 ASP 108 10.020 -10.375 -8.747 831 2HB ASP 108 HB1 ASP 108 8.895 -9.854 -7.502 832 H ALA 109 HN ALA 109 7.262 -11.416 -6.854 833 HA ALA 109 HA ALA 109 7.084 -10.758 -4.160 834 1HB ALA 109 HB1 ALA 109 4.704 -11.192 -4.359 835 2HB ALA 109 HB2 ALA 109 4.977 -12.089 -5.853 836 3HB ALA 109 HB3 ALA 109 5.301 -10.356 -5.794 837 H LYS 110 HN LYS 110 6.972 -13.916 -5.720 838 HA LYS 110 HA LYS 110 6.224 -15.220 -3.261 839 1HB LYS 110 HB2 LYS 110 6.879 -16.347 -5.981 840 2HB LYS 110 HB1 LYS 110 6.345 -17.309 -4.608 841 1HG LYS 110 HG2 LYS 110 4.295 -15.827 -4.537 842 2HG LYS 110 HG1 LYS 110 4.814 -15.198 -6.101 843 1HD LYS 110 HD2 LYS 110 4.406 -18.135 -5.589 844 2HD LYS 110 HD1 LYS 110 3.100 -17.078 -6.121 845 1HE LYS 110 HE2 LYS 110 3.931 -18.062 -8.083 846 2HE LYS 110 HE1 LYS 110 4.616 -16.439 -8.060 847 1HZ LYS 110 HZ1 LYS 110 6.688 -17.345 -7.261 848 2HZ LYS 110 HZ2 LYS 110 6.237 -18.133 -8.689 849 3HZ LYS 110 HZ3 LYS 110 6.031 -18.903 -7.188 850 H LYS 111 HN LYS 111 9.109 -14.010 -4.224 851 HA LYS 111 HA LYS 111 10.820 -16.120 -3.237 852 1HB LYS 111 HB2 LYS 111 11.406 -13.156 -3.432 853 2HB LYS 111 HB1 LYS 111 12.585 -14.430 -3.188 854 1HG LYS 111 HG2 LYS 111 12.158 -15.272 -5.429 855 2HG LYS 111 HG1 LYS 111 10.932 -14.022 -5.668 856 1HD LYS 111 HD2 LYS 111 12.776 -12.342 -5.120 857 2HD LYS 111 HD1 LYS 111 13.902 -13.682 -5.330 858 1HE LYS 111 HE2 LYS 111 11.935 -12.734 -7.406 859 2HE LYS 111 HE1 LYS 111 13.641 -12.297 -7.360 860 1HZ LYS 111 HZ1 LYS 111 13.102 -14.140 -8.894 861 2HZ LYS 111 HZ2 LYS 111 12.658 -15.089 -7.559 862 3HZ LYS 111 HZ3 LYS 111 14.256 -14.550 -7.720 863 H GLY 112 HN GLY 112 9.027 -13.444 -1.973 864 1HA GLY 112 HA2 GLY 112 8.652 -13.103 0.389 865 2HA GLY 112 HA1 GLY 112 10.243 -13.809 0.689 866 H ILE 113 HN ILE 113 8.498 -10.958 -0.073 867 HA ILE 113 HA ILE 113 10.485 -9.536 -1.451 868 HB ILE 113 HB ILE 113 8.106 -8.512 0.091 869 1HG1 ILE 113 HG12 ILE 113 7.573 -9.963 -1.828 870 2HG1 ILE 113 HG11 ILE 113 7.069 -8.302 -2.116 871 1HG2 ILE 113 HG21 ILE 113 9.927 -7.039 -1.809 872 2HG2 ILE 113 HG22 ILE 113 9.725 -6.728 -0.084 873 3HG2 ILE 113 HG23 ILE 113 8.391 -6.426 -1.198 874 1HD1 ILE 113 HD11 ILE 113 9.503 -9.668 -3.247 875 2HD1 ILE 113 HD12 ILE 113 9.109 -7.964 -3.470 876 3HD1 ILE 113 HD13 ILE 113 8.042 -9.207 -4.120 877 H THR 114 HN THR 114 12.205 -8.499 -0.846 878 HA THR 114 HA THR 114 12.698 -8.072 2.022 879 HB THR 114 HB THR 114 15.113 -7.934 1.327 880 HG1 THR 114 HG1 THR 114 14.407 -9.199 -1.088 881 1HG2 THR 114 HG21 THR 114 14.200 -10.005 2.254 882 2HG2 THR 114 HG22 THR 114 15.394 -10.355 1.004 883 3HG2 THR 114 HG23 THR 114 13.674 -10.503 0.646 884 H MET 115 HN MET 115 14.649 -6.194 1.993 885 HA MET 115 HA MET 115 13.153 -3.833 1.344 886 1HB MET 115 HB2 MET 115 14.579 -3.965 3.363 887 2HB MET 115 HB1 MET 115 16.001 -4.081 2.334 888 1HG MET 115 HG2 MET 115 15.702 -1.827 3.197 889 2HG MET 115 HG1 MET 115 15.558 -1.866 1.440 890 1HE MET 115 HE1 MET 115 14.617 0.597 3.183 891 2HE MET 115 HE2 MET 115 13.060 0.970 2.443 892 3HE MET 115 HE3 MET 115 14.436 0.533 1.429 893 H ALA 116 HN ALA 116 16.117 -5.373 0.164 894 HA ALA 116 HA ALA 116 16.815 -3.510 -1.793 895 1HB ALA 116 HB1 ALA 116 18.050 -5.319 -2.853 896 2HB ALA 116 HB2 ALA 116 17.155 -6.507 -1.905 897 3HB ALA 116 HB3 ALA 116 18.249 -5.381 -1.102 898 H GLN 117 HN GLN 117 14.681 -6.331 -1.997 899 HA GLN 117 HA GLN 117 13.941 -6.083 -4.680 900 1HB GLN 117 HB2 GLN 117 12.654 -7.302 -2.269 901 2HB GLN 117 HB1 GLN 117 11.753 -7.199 -3.776 902 1HG GLN 117 HG2 GLN 117 13.290 -8.562 -4.910 903 2HG GLN 117 HG1 GLN 117 14.476 -8.442 -3.609 904 1HE2 GLN 117 HE21 GLN 117 11.477 -9.867 -4.645 905 2HE2 GLN 117 HE22 GLN 117 11.437 -11.121 -3.443 906 H MET 118 HN MET 118 12.125 -4.995 -1.819 907 HA MET 118 HA MET 118 10.051 -3.705 -3.005 908 1HB MET 118 HB2 MET 118 10.445 -4.015 -0.537 909 2HB MET 118 HB1 MET 118 11.505 -2.612 -0.597 910 1HG MET 118 HG2 MET 118 9.593 -1.590 0.045 911 2HG MET 118 HG1 MET 118 9.382 -1.498 -1.701 912 1HE MET 118 HE1 MET 118 8.720 -4.702 -2.214 913 2HE MET 118 HE2 MET 118 7.915 -3.382 -3.067 914 3HE MET 118 HE3 MET 118 6.957 -4.620 -2.255 915 H GLU 119 HN GLU 119 13.213 -2.210 -2.266 916 HA GLU 119 HA GLU 119 12.564 0.366 -3.129 917 1HB GLU 119 HB2 GLU 119 15.252 -1.020 -3.153 918 2HB GLU 119 HB1 GLU 119 15.012 0.709 -3.359 919 1HG GLU 119 HG2 GLU 119 14.229 -0.864 -0.917 920 2HG GLU 119 HG1 GLU 119 15.706 0.083 -1.084 921 H LEU 120 HN LEU 120 14.355 -2.143 -4.963 922 HA LEU 120 HA LEU 120 14.443 -0.579 -7.338 923 1HB LEU 120 HB2 LEU 120 14.983 -3.468 -6.743 924 2HB LEU 120 HB1 LEU 120 14.960 -2.893 -8.396 925 HG LEU 120 HG LEU 120 16.743 -1.230 -7.737 926 1HD1 LEU 120 HD11 LEU 120 16.401 -1.261 -5.328 927 2HD1 LEU 120 HD12 LEU 120 18.053 -1.727 -5.735 928 3HD1 LEU 120 HD13 LEU 120 16.879 -2.957 -5.271 929 1HD2 LEU 120 HD21 LEU 120 17.381 -4.163 -7.477 930 2HD2 LEU 120 HD22 LEU 120 18.536 -2.885 -7.853 931 3HD2 LEU 120 HD23 LEU 120 17.236 -3.261 -8.985 932 H VAL 121 HN VAL 121 12.247 -2.994 -6.135 933 HA VAL 121 HA VAL 121 10.946 -3.462 -8.631 934 HB VAL 121 HB VAL 121 10.726 -4.470 -5.861 935 1HG1 VAL 121 HG11 VAL 121 8.393 -4.636 -7.753 936 2HG1 VAL 121 HG12 VAL 121 8.415 -3.881 -6.156 937 3HG1 VAL 121 HG13 VAL 121 8.609 -5.630 -6.308 938 1HG2 VAL 121 HG21 VAL 121 11.997 -5.620 -7.587 939 2HG2 VAL 121 HG22 VAL 121 10.537 -5.769 -8.569 940 3HG2 VAL 121 HG23 VAL 121 10.649 -6.606 -7.022 941 H MET 122 HN MET 122 10.162 -1.515 -5.751 942 HA MET 122 HA MET 122 7.587 -0.773 -6.721 943 1HB MET 122 HB2 MET 122 9.349 0.181 -4.517 944 2HB MET 122 HB1 MET 122 8.012 1.206 -5.025 945 1HG MET 122 HG2 MET 122 7.842 -1.630 -4.044 946 2HG MET 122 HG1 MET 122 7.308 -0.176 -3.197 947 1HE MET 122 HE1 MET 122 4.023 -2.170 -4.261 948 2HE MET 122 HE2 MET 122 4.956 -1.582 -2.885 949 3HE MET 122 HE3 MET 122 5.591 -2.885 -3.891 950 H LYS 123 HN LYS 123 10.793 0.673 -6.960 951 HA LYS 123 HA LYS 123 9.782 2.975 -8.353 952 1HB LYS 123 HB2 LYS 123 12.627 1.987 -8.057 953 2HB LYS 123 HB1 LYS 123 12.141 3.574 -8.651 954 1HG LYS 123 HG2 LYS 123 11.045 4.002 -6.470 955 2HG LYS 123 HG1 LYS 123 11.678 2.464 -5.891 956 1HD LYS 123 HD2 LYS 123 13.131 4.171 -5.102 957 2HD LYS 123 HD1 LYS 123 13.974 3.325 -6.399 958 1HE LYS 123 HE2 LYS 123 13.639 5.085 -7.916 959 2HE LYS 123 HE1 LYS 123 12.401 5.832 -6.906 960 1HZ LYS 123 HZ1 LYS 123 14.062 6.425 -5.297 961 2HZ LYS 123 HZ2 LYS 123 14.552 6.996 -6.822 962 3HZ LYS 123 HZ3 LYS 123 15.272 5.613 -6.168 963 H ALA 124 HN ALA 124 10.515 -0.225 -9.195 964 HA ALA 124 HA ALA 124 10.916 0.226 -12.005 965 1HB ALA 124 HB1 ALA 124 10.354 -2.243 -12.146 966 2HB ALA 124 HB2 ALA 124 10.211 -2.219 -10.390 967 3HB ALA 124 HB3 ALA 124 11.750 -1.824 -11.155 968 H ALA 125 HN ALA 125 8.214 -0.129 -9.843 969 HA ALA 125 HA ALA 125 6.233 -0.617 -11.839 970 1HB ALA 125 HB1 ALA 125 6.004 0.345 -8.984 971 2HB ALA 125 HB2 ALA 125 5.777 -1.298 -9.588 972 3HB ALA 125 HB3 ALA 125 4.626 -0.033 -10.020 973 H GLY 126 HN GLY 126 8.022 2.104 -11.045 974 1HA GLY 126 HA2 GLY 126 7.946 4.156 -12.161 975 2HA GLY 126 HA1 GLY 126 6.329 3.760 -12.730 976 H PHE 127 HN PHE 127 6.840 3.250 -9.416 977 HA PHE 127 HA PHE 127 5.174 5.548 -8.765 978 1HB PHE 127 HB2 PHE 127 6.188 3.313 -6.987 979 2HB PHE 127 HB1 PHE 127 4.990 4.522 -6.545 980 HD1 PHE 127 HD1 PHE 127 4.757 1.454 -6.501 981 HD2 PHE 127 HD2 PHE 127 3.594 4.405 -9.337 982 HE1 PHE 127 HE1 PHE 127 2.975 -0.034 -7.313 983 HE2 PHE 127 HE2 PHE 127 1.808 2.923 -10.150 984 HZ PHE 127 HZ PHE 127 1.495 0.704 -9.139 985 H LYS 128 HN LYS 128 5.833 7.028 -6.997 986 HA LYS 128 HA LYS 128 8.765 7.235 -6.897 987 1HB LYS 128 HB2 LYS 128 8.643 9.624 -6.955 988 2HB LYS 128 HB1 LYS 128 7.704 9.003 -8.304 989 1HG LYS 128 HG2 LYS 128 5.648 9.465 -7.176 990 2HG LYS 128 HG1 LYS 128 6.504 9.878 -5.688 991 1HD LYS 128 HD2 LYS 128 6.789 11.365 -8.294 992 2HD LYS 128 HD1 LYS 128 5.724 11.855 -6.977 993 1HE LYS 128 HE2 LYS 128 8.717 11.536 -6.764 994 2HE LYS 128 HE1 LYS 128 7.880 13.070 -6.991 995 1HZ LYS 128 HZ1 LYS 128 8.294 12.916 -4.707 996 2HZ LYS 128 HZ2 LYS 128 7.832 11.292 -4.624 997 3HZ LYS 128 HZ3 LYS 128 6.658 12.492 -4.864 998 H GLU 129 HN GLU 129 9.719 7.761 -5.018 999 HA GLU 129 HA GLU 129 8.291 7.231 -2.607 1000 1HB GLU 129 HB2 GLU 129 11.069 8.372 -2.955 1001 2HB GLU 129 HB1 GLU 129 10.425 7.583 -1.521 1002 1HG GLU 129 HG2 GLU 129 10.415 5.475 -2.557 1003 2HG GLU 129 HG1 GLU 129 10.660 6.177 -4.158 1004 H VAL 130 HN VAL 130 7.766 8.679 -0.962 1005 HA VAL 130 HA VAL 130 8.087 11.532 -1.621 1006 HB VAL 130 HB VAL 130 6.062 12.004 -0.296 1007 1HG1 VAL 130 HG11 VAL 130 4.429 11.170 -1.905 1008 2HG1 VAL 130 HG12 VAL 130 5.609 10.007 -2.509 1009 3HG1 VAL 130 HG13 VAL 130 5.890 11.736 -2.715 1010 1HG2 VAL 130 HG21 VAL 130 5.755 9.005 -0.171 1011 2HG2 VAL 130 HG22 VAL 130 4.559 10.187 0.358 1012 3HG2 VAL 130 HG23 VAL 130 6.109 10.069 1.190 1013 H LYS 131 HN LYS 131 8.701 8.996 0.540 1014 HA LYS 131 HA LYS 131 9.798 8.803 2.523 1015 1HB LYS 131 HB2 LYS 131 10.655 11.688 2.132 1016 2HB LYS 131 HB1 LYS 131 11.482 10.439 3.049 1017 1HG LYS 131 HG2 LYS 131 11.130 10.390 0.059 1018 2HG LYS 131 HG1 LYS 131 12.557 11.017 0.884 1019 1HD LYS 131 HD2 LYS 131 12.987 8.834 1.851 1020 2HD LYS 131 HD1 LYS 131 11.511 8.197 1.124 1021 1HE LYS 131 HE2 LYS 131 13.555 7.591 -0.135 1022 2HE LYS 131 HE1 LYS 131 12.403 8.519 -1.090 1023 1HZ LYS 131 HZ1 LYS 131 14.811 9.648 0.242 1024 2HZ LYS 131 HZ2 LYS 131 13.723 10.495 -0.742 1025 3HZ LYS 131 HZ3 LYS 131 14.692 9.275 -1.409 1026 H LEU 132 HN LEU 132 10.242 10.776 4.508 1027 HA LEU 132 HA LEU 132 7.630 12.012 4.961 1028 1HB LEU 132 HB2 LEU 132 9.191 10.812 7.248 1029 2HB LEU 132 HB1 LEU 132 7.536 11.393 7.244 1030 HG LEU 132 HG LEU 132 7.120 9.420 5.588 1031 1HD1 LEU 132 HD11 LEU 132 9.469 8.800 5.311 1032 2HD1 LEU 132 HD12 LEU 132 8.520 7.479 5.993 1033 3HD1 LEU 132 HD13 LEU 132 9.575 8.437 7.034 1034 1HD2 LEU 132 HD21 LEU 132 6.119 9.630 7.795 1035 2HD2 LEU 132 HD22 LEU 132 7.584 8.980 8.533 1036 3HD2 LEU 132 HD23 LEU 132 6.603 7.965 7.477 1037 H GLU 133 HN GLU 133 8.116 13.543 7.112 1038 HA GLU 133 HA GLU 133 9.903 15.481 6.117 1039 1HB GLU 133 HB2 GLU 133 9.603 16.455 8.521 1040 2HB GLU 133 HB1 GLU 133 8.252 16.442 7.400 1041 1HG GLU 133 HG2 GLU 133 7.416 15.765 9.495 1042 2HG GLU 133 HG1 GLU 133 7.493 14.319 8.494 1043 H HIS 134 HN HIS 134 11.789 16.388 7.343 1044 HA HIS 134 HA HIS 134 13.602 14.206 7.791 1045 1HB HIS 134 HB2 HIS 134 15.373 15.875 7.916 1046 2HB HIS 134 HB1 HIS 134 14.357 16.163 6.514 1047 HD1 HIS 134 HD1 HIS 134 15.779 17.783 9.444 1048 HD2 HIS 134 HD2 HIS 134 12.559 18.456 6.894 1049 HE1 HIS 134 HE1 HIS 134 15.139 20.195 9.777 1050 HE2 HIS 134 HE2 HIS 134 13.095 20.540 8.338 1051 H HIS 135 HN HIS 135 13.477 13.168 9.628 1052 HA HIS 135 HA HIS 135 13.175 14.736 12.093 1053 1HB HIS 135 HB2 HIS 135 12.311 12.537 13.076 1054 2HB HIS 135 HB1 HIS 135 11.255 13.396 11.967 1055 HD1 HIS 135 HD1 HIS 135 10.370 12.110 10.027 1056 HD2 HIS 135 HD2 HIS 135 13.599 10.212 11.851 1057 HE1 HIS 135 HE1 HIS 135 10.548 9.846 8.933 1058 HE2 HIS 135 HE2 HIS 135 12.629 8.806 9.915 1059 H HIS 136 HN HIS 136 15.222 15.095 12.679 1060 HA HIS 136 HA HIS 136 16.711 12.735 13.575 1061 1HB HIS 136 HB2 HIS 136 17.535 14.499 11.443 1062 2HB HIS 136 HB1 HIS 136 18.672 14.593 12.784 1063 HD1 HIS 136 HD1 HIS 136 20.261 12.661 13.110 1064 HD2 HIS 136 HD2 HIS 136 17.278 11.859 10.314 1065 HE1 HIS 136 HE1 HIS 136 20.925 10.501 12.003 1066 HE2 HIS 136 HE2 HIS 136 19.045 9.963 10.420 1067 H HIS 137 HN HIS 137 15.067 15.132 14.584 1068 HA HIS 137 HA HIS 137 16.987 16.513 16.258 1069 1HB HIS 137 HB2 HIS 137 15.123 17.794 15.341 1070 2HB HIS 137 HB1 HIS 137 13.968 16.703 16.095 1071 HD1 HIS 137 HD1 HIS 137 13.355 17.131 18.529 1072 HD2 HIS 137 HD2 HIS 137 16.458 19.548 17.155 1073 HE1 HIS 137 HE1 HIS 137 13.719 18.867 20.319 1074 HE2 HIS 137 HE2 HIS 137 15.706 20.210 19.543 1075 H HIS 138 HN HIS 138 17.808 14.943 17.654 1076 HA HIS 138 HA HIS 138 15.976 13.604 19.451 1077 1HB HIS 138 HB2 HIS 138 18.201 12.614 18.804 1078 2HB HIS 138 HB1 HIS 138 18.978 13.893 19.734 1079 HD1 HIS 138 HD1 HIS 138 16.964 10.752 20.132 1080 HD2 HIS 138 HD2 HIS 138 18.887 13.574 22.511 1081 HE1 HIS 138 HE1 HIS 138 17.003 9.777 22.450 1082 HE2 HIS 138 HE2 HIS 138 18.312 11.429 23.835 1083 H HIS 139 HN HIS 139 18.293 16.256 19.531 1084 HA HIS 139 HA HIS 139 16.592 17.971 20.933 1085 1HB HIS 139 HB2 HIS 139 17.219 16.500 22.872 1086 2HB HIS 139 HB1 HIS 139 18.896 16.986 22.638 1087 HD1 HIS 139 HD1 HIS 139 19.569 18.787 24.184 1088 HD2 HIS 139 HD2 HIS 139 15.541 19.050 23.174 1089 HE1 HIS 139 HE1 HIS 139 18.680 20.775 25.441 1090 HE2 HIS 139 HE2 HIS 139 16.293 21.023 24.673 Start of MODEL 7 1 1H MET 1 HT1 MET 1 16.539 8.934 8.942 2 2H MET 1 HT2 MET 1 17.212 8.952 7.393 3 3H MET 1 HT3 MET 1 17.652 7.739 8.491 4 HA MET 1 HA MET 1 14.996 8.144 7.245 5 1HB MET 1 HB2 MET 1 16.926 5.825 7.019 6 2HB MET 1 HB1 MET 1 15.394 5.996 6.174 7 1HG MET 1 HG2 MET 1 17.842 7.706 5.806 8 2HG MET 1 HG1 MET 1 17.236 6.482 4.693 9 1HE MET 1 HE1 MET 1 17.438 8.365 2.775 10 2HE MET 1 HE2 MET 1 17.943 9.565 3.966 11 3HE MET 1 HE3 MET 1 16.619 9.925 2.860 12 H GLY 2 HN GLY 2 16.620 5.369 8.749 13 1HA GLY 2 HA2 GLY 2 14.632 5.416 10.917 14 2HA GLY 2 HA1 GLY 2 14.809 3.963 9.943 15 H ASP 3 HN ASP 3 15.446 2.738 11.768 16 HA ASP 3 HA ASP 3 18.261 2.963 12.391 17 1HB ASP 3 HB2 ASP 3 17.323 4.458 14.059 18 2HB ASP 3 HB1 ASP 3 16.158 3.232 14.548 19 H LYS 4 HN LYS 4 15.462 1.382 13.950 20 HA LYS 4 HA LYS 4 16.885 -1.178 13.743 21 1HB LYS 4 HB2 LYS 4 14.409 -0.449 15.326 22 2HB LYS 4 HB1 LYS 4 15.242 -1.995 15.384 23 1HG LYS 4 HG2 LYS 4 17.195 -0.949 16.341 24 2HG LYS 4 HG1 LYS 4 16.445 0.641 16.196 25 1HD LYS 4 HD2 LYS 4 14.658 -0.097 17.729 26 2HD LYS 4 HD1 LYS 4 15.480 -1.648 17.907 27 1HE LYS 4 HE2 LYS 4 16.648 1.040 18.615 28 2HE LYS 4 HE1 LYS 4 15.955 -0.102 19.766 29 1HZ LYS 4 HZ1 LYS 4 17.658 -1.693 19.197 30 2HZ LYS 4 HZ2 LYS 4 18.384 -0.231 19.659 31 3HZ LYS 4 HZ3 LYS 4 18.299 -0.650 18.023 32 H GLU 5 HN GLU 5 13.430 -0.573 13.855 33 HA GLU 5 HA GLU 5 13.122 -1.892 11.255 34 1HB GLU 5 HB2 GLU 5 11.118 -1.336 13.460 35 2HB GLU 5 HB1 GLU 5 10.720 -2.079 11.915 36 1HG GLU 5 HG2 GLU 5 11.970 -4.004 12.387 37 2HG GLU 5 HG1 GLU 5 12.788 -3.236 13.745 38 H GLU 6 HN GLU 6 12.879 -0.560 9.572 39 HA GLU 6 HA GLU 6 12.689 2.279 10.267 40 1HB GLU 6 HB2 GLU 6 13.844 0.974 7.798 41 2HB GLU 6 HB1 GLU 6 13.916 2.686 8.194 42 1HG GLU 6 HG2 GLU 6 15.249 2.156 10.185 43 2HG GLU 6 HG1 GLU 6 15.203 0.450 9.746 44 H SER 7 HN SER 7 11.311 3.648 9.285 45 HA SER 7 HA SER 7 9.221 2.426 7.640 46 1HB SER 7 HB2 SER 7 9.204 5.049 9.155 47 2HB SER 7 HB1 SER 7 7.834 4.335 8.302 48 HG SER 7 HG SER 7 8.551 2.439 9.835 49 H LYS 8 HN LYS 8 8.706 3.224 5.648 50 HA LYS 8 HA LYS 8 10.046 5.631 4.690 51 1HB LYS 8 HB2 LYS 8 11.535 3.771 4.079 52 2HB LYS 8 HB1 LYS 8 10.224 2.973 3.260 53 1HG LYS 8 HG2 LYS 8 10.117 4.719 1.621 54 2HG LYS 8 HG1 LYS 8 11.314 5.667 2.507 55 1HD LYS 8 HD2 LYS 8 12.927 3.782 2.179 56 2HD LYS 8 HD1 LYS 8 11.730 3.022 1.124 57 1HE LYS 8 HE2 LYS 8 11.759 4.975 -0.326 58 2HE LYS 8 HE1 LYS 8 12.931 5.754 0.733 59 1HZ LYS 8 HZ1 LYS 8 14.474 3.931 0.234 60 2HZ LYS 8 HZ2 LYS 8 14.041 4.809 -1.141 61 3HZ LYS 8 HZ3 LYS 8 13.359 3.282 -0.866 62 H LYS 9 HN LYS 9 8.776 6.809 3.361 63 HA LYS 9 HA LYS 9 6.120 5.681 2.782 64 1HB LYS 9 HB2 LYS 9 6.215 7.603 4.357 65 2HB LYS 9 HB1 LYS 9 6.945 8.575 3.089 66 1HG LYS 9 HG2 LYS 9 4.788 9.237 2.860 67 2HG LYS 9 HG1 LYS 9 4.763 7.842 1.778 68 1HD LYS 9 HD2 LYS 9 2.827 7.761 3.213 69 2HD LYS 9 HD1 LYS 9 3.932 6.458 3.663 70 1HE LYS 9 HE2 LYS 9 4.812 7.876 5.483 71 2HE LYS 9 HE1 LYS 9 3.638 9.119 5.057 72 1HZ LYS 9 HZ1 LYS 9 2.979 6.371 5.966 73 2HZ LYS 9 HZ2 LYS 9 1.856 7.584 5.588 74 3HZ LYS 9 HZ3 LYS 9 2.894 7.771 6.921 75 H PHE 10 HN PHE 10 5.615 5.349 0.710 76 HA PHE 10 HA PHE 10 6.530 7.389 -1.198 77 1HB PHE 10 HB2 PHE 10 6.991 5.882 -2.870 78 2HB PHE 10 HB1 PHE 10 7.424 4.897 -1.483 79 HD1 PHE 10 HD1 PHE 10 6.186 2.926 -0.939 80 HD2 PHE 10 HD2 PHE 10 4.897 5.480 -4.087 81 HE1 PHE 10 HE1 PHE 10 4.649 1.179 -1.728 82 HE2 PHE 10 HE2 PHE 10 3.353 3.738 -4.875 83 HZ PHE 10 HZ PHE 10 3.231 1.582 -3.697 84 H SER 11 HN SER 11 4.919 8.013 -2.740 85 HA SER 11 HA SER 11 2.214 7.101 -2.140 86 1HB SER 11 HB2 SER 11 2.716 8.979 -0.571 87 2HB SER 11 HB1 SER 11 3.005 10.021 -1.962 88 HG SER 11 HG SER 11 0.583 8.628 -1.838 89 H ALA 12 HN ALA 12 1.596 6.493 -4.099 90 HA ALA 12 HA ALA 12 2.232 8.256 -6.366 91 1HB ALA 12 HB1 ALA 12 3.194 6.008 -6.551 92 2HB ALA 12 HB2 ALA 12 1.982 6.296 -7.799 93 3HB ALA 12 HB3 ALA 12 1.584 5.307 -6.394 94 H ASN 13 HN ASN 13 0.600 9.369 -7.165 95 HA ASN 13 HA ASN 13 -2.131 8.565 -6.511 96 1HB ASN 13 HB2 ASN 13 -1.569 10.914 -6.119 97 2HB ASN 13 HB1 ASN 13 -1.071 11.096 -7.800 98 1HD2 ASN 13 HD21 ASN 13 -2.562 12.719 -8.178 99 2HD2 ASN 13 HD22 ASN 13 -4.263 12.392 -8.328 100 H LEU 14 HN LEU 14 -2.620 6.921 -7.839 101 HA LEU 14 HA LEU 14 -1.915 7.005 -10.647 102 1HB LEU 14 HB2 LEU 14 -3.181 4.991 -8.829 103 2HB LEU 14 HB1 LEU 14 -3.348 4.805 -10.563 104 HG LEU 14 HG LEU 14 -1.253 4.016 -10.799 105 1HD1 LEU 14 HD11 LEU 14 -0.220 6.196 -10.451 106 2HD1 LEU 14 HD12 LEU 14 0.733 4.919 -9.696 107 3HD1 LEU 14 HD13 LEU 14 -0.289 5.961 -8.706 108 1HD2 LEU 14 HD21 LEU 14 -1.365 3.867 -7.789 109 2HD2 LEU 14 HD22 LEU 14 -0.358 2.880 -8.850 110 3HD2 LEU 14 HD23 LEU 14 -2.115 2.722 -8.902 111 H ASN 15 HN ASN 15 -3.050 8.569 -11.623 112 HA ASN 15 HA ASN 15 -4.735 9.535 -12.780 113 1HB ASN 15 HB2 ASN 15 -5.485 7.324 -13.425 114 2HB ASN 15 HB1 ASN 15 -6.336 7.131 -11.896 115 1HD2 ASN 15 HD21 ASN 15 -8.343 8.003 -11.657 116 2HD2 ASN 15 HD22 ASN 15 -9.201 8.800 -12.932 117 H GLY 16 HN GLY 16 -6.029 8.185 -9.810 118 1HA GLY 16 HA2 GLY 16 -6.479 10.740 -8.629 119 2HA GLY 16 HA1 GLY 16 -7.984 10.036 -9.210 120 H THR 17 HN THR 17 -5.367 8.072 -8.143 121 HA THR 17 HA THR 17 -6.833 7.390 -5.687 122 HB THR 17 HB THR 17 -5.168 5.412 -7.241 123 HG1 THR 17 HG1 THR 17 -6.696 5.654 -8.722 124 1HG2 THR 17 HG21 THR 17 -7.418 5.103 -5.249 125 2HG2 THR 17 HG22 THR 17 -5.704 4.833 -4.935 126 3HG2 THR 17 HG23 THR 17 -6.572 3.779 -6.049 127 H GLU 18 HN GLU 18 -5.602 8.423 -4.198 128 HA GLU 18 HA GLU 18 -2.741 8.668 -4.563 129 1HB GLU 18 HB2 GLU 18 -4.086 9.540 -2.049 130 2HB GLU 18 HB1 GLU 18 -2.824 10.335 -2.975 131 1HG GLU 18 HG2 GLU 18 -4.472 10.957 -4.678 132 2HG GLU 18 HG1 GLU 18 -5.732 10.169 -3.725 133 H ILE 19 HN ILE 19 -1.868 6.641 -4.293 134 HA ILE 19 HA ILE 19 -2.587 5.111 -1.922 135 HB ILE 19 HB ILE 19 -0.777 4.391 -4.233 136 1HG1 ILE 19 HG12 ILE 19 -3.612 3.621 -3.528 137 2HG1 ILE 19 HG11 ILE 19 -3.092 4.555 -4.923 138 1HG2 ILE 19 HG21 ILE 19 -0.825 2.116 -3.336 139 2HG2 ILE 19 HG22 ILE 19 -1.767 2.676 -1.954 140 3HG2 ILE 19 HG23 ILE 19 -0.112 3.241 -2.180 141 1HD1 ILE 19 HD11 ILE 19 -3.672 2.289 -5.544 142 2HD1 ILE 19 HD12 ILE 19 -2.487 1.657 -4.400 143 3HD1 ILE 19 HD13 ILE 19 -1.952 2.584 -5.803 144 H ALA 20 HN ALA 20 -1.614 5.674 -0.121 145 HA ALA 20 HA ALA 20 1.213 6.475 -0.193 146 1HB ALA 20 HB1 ALA 20 -0.553 7.969 0.852 147 2HB ALA 20 HB2 ALA 20 0.863 7.613 1.837 148 3HB ALA 20 HB3 ALA 20 -0.658 6.771 2.140 149 H ILE 21 HN ILE 21 2.492 4.747 0.067 150 HA ILE 21 HA ILE 21 1.660 2.721 2.033 151 HB ILE 21 HB ILE 21 3.436 2.430 -0.388 152 1HG1 ILE 21 HG12 ILE 21 0.760 1.223 0.350 153 2HG1 ILE 21 HG11 ILE 21 1.041 2.451 -0.877 154 1HG2 ILE 21 HG21 ILE 21 4.358 1.121 1.434 155 2HG2 ILE 21 HG22 ILE 21 3.628 0.062 0.228 156 3HG2 ILE 21 HG23 ILE 21 2.780 0.396 1.737 157 1HD1 ILE 21 HD11 ILE 21 0.710 0.268 -1.876 158 2HD1 ILE 21 HD12 ILE 21 2.060 -0.379 -0.943 159 3HD1 ILE 21 HD13 ILE 21 2.348 0.849 -2.175 160 H THR 22 HN THR 22 2.825 2.438 3.773 161 HA THR 22 HA THR 22 5.480 3.699 3.938 162 HB THR 22 HB THR 22 3.762 2.947 6.300 163 HG1 THR 22 HG1 THR 22 2.718 4.464 4.758 164 1HG2 THR 22 HG21 THR 22 5.086 4.672 7.431 165 2HG2 THR 22 HG22 THR 22 5.955 4.996 5.931 166 3HG2 THR 22 HG23 THR 22 6.129 3.434 6.732 167 H TYR 23 HN TYR 23 7.085 2.254 3.861 168 HA TYR 23 HA TYR 23 6.609 -0.543 4.416 169 1HB TYR 23 HB2 TYR 23 9.306 0.742 4.012 170 2HB TYR 23 HB1 TYR 23 8.859 -0.933 3.743 171 HD1 TYR 23 HD1 TYR 23 8.748 2.456 2.406 172 HD2 TYR 23 HD2 TYR 23 7.838 -1.616 1.648 173 HE1 TYR 23 HE1 TYR 23 8.560 2.972 0.037 174 HE2 TYR 23 HE2 TYR 23 7.608 -1.118 -0.750 175 HH TYR 23 HH TYR 23 8.708 1.762 -2.132 176 H VAL 24 HN VAL 24 7.315 -1.677 6.173 177 HA VAL 24 HA VAL 24 9.121 -0.295 8.038 178 HB VAL 24 HB VAL 24 7.020 -2.385 8.659 179 1HG1 VAL 24 HG11 VAL 24 9.107 -3.002 9.801 180 2HG1 VAL 24 HG12 VAL 24 7.898 -2.427 10.950 181 3HG1 VAL 24 HG13 VAL 24 9.225 -1.371 10.464 182 1HG2 VAL 24 HG21 VAL 24 7.561 0.370 9.754 183 2HG2 VAL 24 HG22 VAL 24 6.262 -0.705 10.271 184 3HG2 VAL 24 HG23 VAL 24 6.272 -0.059 8.630 185 H TYR 25 HN TYR 25 11.005 -0.899 7.191 186 HA TYR 25 HA TYR 25 11.359 -3.753 6.617 187 1HB TYR 25 HB2 TYR 25 13.190 -3.091 5.098 188 2HB TYR 25 HB1 TYR 25 11.636 -2.428 4.618 189 HD1 TYR 25 HD1 TYR 25 15.006 -1.668 5.764 190 HD2 TYR 25 HD2 TYR 25 11.198 -0.016 4.833 191 HE1 TYR 25 HE1 TYR 25 16.012 0.569 5.644 192 HE2 TYR 25 HE2 TYR 25 12.195 2.226 4.717 193 HH TYR 25 HH TYR 25 15.669 2.705 4.904 194 H LYS 26 HN LYS 26 12.961 -4.856 7.443 195 HA LYS 26 HA LYS 26 14.609 -3.536 9.502 196 1HB LYS 26 HB2 LYS 26 12.783 -5.358 10.035 197 2HB LYS 26 HB1 LYS 26 14.008 -6.476 9.458 198 1HG LYS 26 HG2 LYS 26 15.524 -5.795 11.183 199 2HG LYS 26 HG1 LYS 26 14.421 -4.513 11.700 200 1HD LYS 26 HD2 LYS 26 12.720 -6.266 12.189 201 2HD LYS 26 HD1 LYS 26 13.941 -7.487 11.830 202 1HE LYS 26 HE2 LYS 26 15.343 -6.599 13.631 203 2HE LYS 26 HE1 LYS 26 14.106 -5.390 13.989 204 1HZ LYS 26 HZ1 LYS 26 12.885 -6.872 15.105 205 2HZ LYS 26 HZ2 LYS 26 14.284 -7.836 15.137 206 3HZ LYS 26 HZ3 LYS 26 13.106 -8.089 13.944 207 H GLY 27 HN GLY 27 16.496 -3.145 8.444 208 1HA GLY 27 HA2 GLY 27 18.490 -3.620 7.366 209 2HA GLY 27 HA1 GLY 27 18.060 -5.329 7.411 210 H ASP 28 HN ASP 28 17.732 -6.218 5.472 211 HA ASP 28 HA ASP 28 16.713 -4.480 3.320 212 1HB ASP 28 HB2 ASP 28 19.008 -5.616 3.043 213 2HB ASP 28 HB1 ASP 28 18.107 -7.120 2.872 214 H LYS 29 HN LYS 29 15.145 -5.797 5.380 215 HA LYS 29 HA LYS 29 13.482 -7.490 3.633 216 1HB LYS 29 HB2 LYS 29 14.349 -7.919 6.450 217 2HB LYS 29 HB1 LYS 29 12.732 -8.430 5.995 218 1HG LYS 29 HG2 LYS 29 13.638 -9.885 4.289 219 2HG LYS 29 HG1 LYS 29 15.272 -9.323 4.654 220 1HD LYS 29 HD2 LYS 29 13.465 -10.643 6.674 221 2HD LYS 29 HD1 LYS 29 14.651 -11.522 5.700 222 1HE LYS 29 HE2 LYS 29 15.273 -9.237 7.571 223 2HE LYS 29 HE1 LYS 29 15.500 -10.945 7.945 224 1HZ LYS 29 HZ1 LYS 29 17.493 -9.586 7.108 225 2HZ LYS 29 HZ2 LYS 29 16.792 -9.754 5.570 226 3HZ LYS 29 HZ3 LYS 29 17.241 -11.129 6.456 227 H VAL 30 HN VAL 30 11.769 -6.222 3.118 228 HA VAL 30 HA VAL 30 10.583 -4.464 5.078 229 HB VAL 30 HB VAL 30 9.327 -5.314 2.466 230 1HG1 VAL 30 HG11 VAL 30 7.832 -4.199 4.001 231 2HG1 VAL 30 HG12 VAL 30 8.213 -3.118 2.659 232 3HG1 VAL 30 HG13 VAL 30 8.992 -2.890 4.226 233 1HG2 VAL 30 HG21 VAL 30 10.333 -3.320 1.456 234 2HG2 VAL 30 HG22 VAL 30 11.563 -4.466 1.988 235 3HG2 VAL 30 HG23 VAL 30 11.230 -3.021 2.944 236 H LEU 31 HN LEU 31 9.803 -5.588 6.774 237 HA LEU 31 HA LEU 31 8.542 -8.167 6.302 238 1HB LEU 31 HB2 LEU 31 9.331 -6.816 8.884 239 2HB LEU 31 HB1 LEU 31 8.719 -8.452 8.737 240 HG LEU 31 HG LEU 31 11.315 -7.454 7.571 241 1HD1 LEU 31 HD11 LEU 31 12.364 -8.853 9.276 242 2HD1 LEU 31 HD12 LEU 31 10.776 -9.232 9.945 243 3HD1 LEU 31 HD13 LEU 31 11.383 -7.577 10.000 244 1HD2 LEU 31 HD21 LEU 31 10.313 -9.227 6.233 245 2HD2 LEU 31 HD22 LEU 31 10.126 -10.226 7.675 246 3HD2 LEU 31 HD23 LEU 31 11.738 -9.815 7.087 247 H LYS 32 HN LYS 32 7.564 -4.988 6.682 248 HA LYS 32 HA LYS 32 4.809 -5.834 6.968 249 1HB LYS 32 HB2 LYS 32 6.204 -4.124 9.012 250 2HB LYS 32 HB1 LYS 32 4.480 -3.940 8.720 251 1HG LYS 32 HG2 LYS 32 4.008 -6.115 9.466 252 2HG LYS 32 HG1 LYS 32 5.702 -6.602 9.373 253 1HD LYS 32 HD2 LYS 32 6.253 -5.141 11.225 254 2HD LYS 32 HD1 LYS 32 4.591 -4.550 11.283 255 1HE LYS 32 HE2 LYS 32 5.143 -6.274 13.007 256 2HE LYS 32 HE1 LYS 32 3.776 -6.681 11.975 257 1HZ LYS 32 HZ1 LYS 32 5.427 -8.510 12.414 258 2HZ LYS 32 HZ2 LYS 32 6.520 -7.669 11.435 259 3HZ LYS 32 HZ3 LYS 32 5.056 -8.233 10.785 260 H GLN 33 HN GLN 33 3.451 -4.573 5.828 261 HA GLN 33 HA GLN 33 4.495 -2.033 4.760 262 1HB GLN 33 HB2 GLN 33 4.512 -3.848 3.078 263 2HB GLN 33 HB1 GLN 33 2.788 -4.076 3.326 264 1HG GLN 33 HG2 GLN 33 2.375 -1.812 2.511 265 2HG GLN 33 HG1 GLN 33 4.106 -1.598 2.250 266 1HE2 GLN 33 HE21 GLN 33 4.430 -4.386 1.374 267 2HE2 GLN 33 HE22 GLN 33 3.793 -4.443 -0.232 268 H SER 34 HN SER 34 3.278 -0.367 5.435 269 HA SER 34 HA SER 34 0.443 -0.842 6.034 270 1HB SER 34 HB2 SER 34 2.179 1.540 6.739 271 2HB SER 34 HB1 SER 34 0.525 1.254 7.287 272 HG SER 34 HG SER 34 2.430 -0.735 7.755 273 H SER 35 HN SER 35 -0.655 -0.661 4.172 274 HA SER 35 HA SER 35 0.031 1.497 2.308 275 1HB SER 35 HB2 SER 35 -1.741 -0.892 1.773 276 2HB SER 35 HB1 SER 35 -0.949 0.156 0.595 277 HG SER 35 HG SER 35 0.537 -1.349 0.653 278 H GLU 36 HN GLU 36 -1.227 3.262 2.422 279 HA GLU 36 HA GLU 36 -4.055 2.880 3.156 280 1HB GLU 36 HB2 GLU 36 -2.239 5.238 3.618 281 2HB GLU 36 HB1 GLU 36 -3.970 5.270 3.913 282 1HG GLU 36 HG2 GLU 36 -3.771 3.641 5.640 283 2HG GLU 36 HG1 GLU 36 -2.079 3.343 5.238 284 H THR 37 HN THR 37 -5.211 2.877 1.377 285 HA THR 37 HA THR 37 -4.380 4.413 -0.955 286 HB THR 37 HB THR 37 -6.728 2.530 -0.643 287 HG1 THR 37 HG1 THR 37 -5.410 0.939 -1.340 288 1HG2 THR 37 HG21 THR 37 -7.021 3.985 -2.532 289 2HG2 THR 37 HG22 THR 37 -6.567 2.383 -3.115 290 3HG2 THR 37 HG23 THR 37 -5.375 3.680 -3.074 291 H LYS 38 HN LYS 38 -5.020 6.479 -1.077 292 HA LYS 38 HA LYS 38 -7.592 7.248 0.102 293 1HB LYS 38 HB2 LYS 38 -5.587 8.489 0.808 294 2HB LYS 38 HB1 LYS 38 -5.299 8.960 -0.855 295 1HG LYS 38 HG2 LYS 38 -7.069 10.455 -0.876 296 2HG LYS 38 HG1 LYS 38 -7.869 9.675 0.494 297 1HD LYS 38 HD2 LYS 38 -6.184 10.484 2.003 298 2HD LYS 38 HD1 LYS 38 -5.227 11.122 0.672 299 1HE LYS 38 HE2 LYS 38 -8.028 12.066 1.123 300 2HE LYS 38 HE1 LYS 38 -6.705 12.720 2.086 301 1HZ LYS 38 HZ1 LYS 38 -5.651 13.549 0.161 302 2HZ LYS 38 HZ2 LYS 38 -7.285 13.992 0.024 303 3HZ LYS 38 HZ3 LYS 38 -6.674 12.690 -0.881 304 H ILE 39 HN ILE 39 -9.134 6.771 -1.343 305 HA ILE 39 HA ILE 39 -8.706 7.376 -4.171 306 HB ILE 39 HB ILE 39 -11.139 6.078 -2.936 307 1HG1 ILE 39 HG12 ILE 39 -9.953 3.989 -4.085 308 2HG1 ILE 39 HG11 ILE 39 -8.503 4.909 -3.696 309 1HG2 ILE 39 HG21 ILE 39 -10.096 6.098 -5.761 310 2HG2 ILE 39 HG22 ILE 39 -11.484 7.000 -5.155 311 3HG2 ILE 39 HG23 ILE 39 -11.528 5.237 -5.198 312 1HD1 ILE 39 HD11 ILE 39 -9.028 3.295 -1.958 313 2HD1 ILE 39 HD12 ILE 39 -10.616 4.032 -1.739 314 3HD1 ILE 39 HD13 ILE 39 -9.159 4.945 -1.347 315 H GLN 40 HN GLN 40 -9.503 9.148 -5.098 316 HA GLN 40 HA GLN 40 -11.422 10.793 -3.656 317 1HB GLN 40 HB2 GLN 40 -9.979 11.243 -6.277 318 2HB GLN 40 HB1 GLN 40 -11.057 12.406 -5.516 319 1HG GLN 40 HG2 GLN 40 -8.474 11.366 -4.369 320 2HG GLN 40 HG1 GLN 40 -8.731 12.954 -5.088 321 1HE2 GLN 40 HE21 GLN 40 -7.849 12.227 -2.385 322 2HE2 GLN 40 HE22 GLN 40 -8.995 12.968 -1.309 323 H PHE 41 HN PHE 41 -13.537 11.019 -4.204 324 HA PHE 41 HA PHE 41 -14.752 8.889 -5.573 325 1HB PHE 41 HB2 PHE 41 -15.818 11.526 -4.593 326 2HB PHE 41 HB1 PHE 41 -16.844 10.348 -5.402 327 HD1 PHE 41 HD1 PHE 41 -14.379 8.614 -3.610 328 HD2 PHE 41 HD2 PHE 41 -18.010 10.770 -3.090 329 HE1 PHE 41 HE1 PHE 41 -14.746 7.469 -1.466 330 HE2 PHE 41 HE2 PHE 41 -18.381 9.630 -0.946 331 HZ PHE 41 HZ PHE 41 -16.751 7.977 -0.133 332 H ALA 42 HN ALA 42 -13.880 12.106 -6.638 333 HA ALA 42 HA ALA 42 -15.355 12.161 -9.031 334 1HB ALA 42 HB1 ALA 42 -14.340 14.150 -8.023 335 2HB ALA 42 HB2 ALA 42 -13.857 13.952 -9.708 336 3HB ALA 42 HB3 ALA 42 -12.738 13.526 -8.413 337 H SER 43 HN SER 43 -12.497 10.465 -8.150 338 HA SER 43 HA SER 43 -11.647 10.061 -10.901 339 1HB SER 43 HB2 SER 43 -10.467 8.896 -8.376 340 2HB SER 43 HB1 SER 43 -9.699 9.020 -9.960 341 HG SER 43 HG SER 43 -9.482 10.735 -8.059 342 H ILE 44 HN ILE 44 -12.880 8.159 -8.163 343 HA ILE 44 HA ILE 44 -12.863 5.687 -9.580 344 HB ILE 44 HB ILE 44 -12.805 5.685 -7.150 345 1HG1 ILE 44 HG12 ILE 44 -15.367 4.465 -8.208 346 2HG1 ILE 44 HG11 ILE 44 -13.773 3.718 -8.247 347 1HG2 ILE 44 HG21 ILE 44 -14.756 6.303 -5.810 348 2HG2 ILE 44 HG22 ILE 44 -15.576 6.858 -7.269 349 3HG2 ILE 44 HG23 ILE 44 -14.114 7.674 -6.713 350 1HD1 ILE 44 HD11 ILE 44 -13.745 3.665 -5.803 351 2HD1 ILE 44 HD12 ILE 44 -15.132 2.797 -6.463 352 3HD1 ILE 44 HD13 ILE 44 -15.345 4.407 -5.774 353 H GLY 45 HN GLY 45 -15.090 8.337 -9.347 354 1HA GLY 45 HA2 GLY 45 -16.747 8.744 -10.989 355 2HA GLY 45 HA1 GLY 45 -16.772 7.024 -11.356 356 H ALA 46 HN ALA 46 -16.834 8.087 -8.074 357 HA ALA 46 HA ALA 46 -19.574 7.069 -7.848 358 1HB ALA 46 HB1 ALA 46 -17.887 5.934 -6.484 359 2HB ALA 46 HB2 ALA 46 -19.088 6.749 -5.482 360 3HB ALA 46 HB3 ALA 46 -17.491 7.465 -5.702 361 H THR 47 HN THR 47 -21.192 8.384 -7.329 362 HA THR 47 HA THR 47 -20.648 11.205 -6.996 363 HB THR 47 HB THR 47 -23.352 9.869 -6.852 364 HG1 THR 47 HG1 THR 47 -22.265 10.916 -9.252 365 1HG2 THR 47 HG21 THR 47 -24.140 12.018 -7.727 366 2HG2 THR 47 HG22 THR 47 -22.484 12.624 -7.743 367 3HG2 THR 47 HG23 THR 47 -23.264 12.236 -6.211 368 H THR 48 HN THR 48 -22.131 8.613 -5.105 369 HA THR 48 HA THR 48 -22.185 10.371 -2.749 370 HB THR 48 HB THR 48 -23.674 7.771 -3.192 371 HG1 THR 48 HG1 THR 48 -24.331 10.476 -3.728 372 1HG2 THR 48 HG21 THR 48 -23.350 8.349 -0.833 373 2HG2 THR 48 HG22 THR 48 -25.043 8.504 -1.301 374 3HG2 THR 48 HG23 THR 48 -24.041 9.945 -1.128 375 H LYS 49 HN LYS 49 -21.471 9.520 -0.721 376 HA LYS 49 HA LYS 49 -19.152 8.038 -0.611 377 1HB LYS 49 HB2 LYS 49 -20.067 9.427 1.232 378 2HB LYS 49 HB1 LYS 49 -21.292 8.201 1.525 379 1HG LYS 49 HG2 LYS 49 -19.619 6.610 2.185 380 2HG LYS 49 HG1 LYS 49 -18.327 7.724 1.740 381 1HD LYS 49 HD2 LYS 49 -18.412 8.047 4.012 382 2HD LYS 49 HD1 LYS 49 -19.510 9.309 3.460 383 1HE LYS 49 HE2 LYS 49 -20.366 6.577 4.415 384 2HE LYS 49 HE1 LYS 49 -20.350 8.027 5.415 385 1HZ LYS 49 HZ1 LYS 49 -22.540 7.749 4.645 386 2HZ LYS 49 HZ2 LYS 49 -22.047 7.460 3.053 387 3HZ LYS 49 HZ3 LYS 49 -21.897 9.020 3.722 388 H GLU 50 HN GLU 50 -22.478 6.909 -0.258 389 HA GLU 50 HA GLU 50 -21.865 4.203 0.291 390 1HB GLU 50 HB2 GLU 50 -24.387 5.073 -1.088 391 2HB GLU 50 HB1 GLU 50 -24.168 3.813 0.117 392 1HG GLU 50 HG2 GLU 50 -24.044 6.778 0.605 393 2HG GLU 50 HG1 GLU 50 -25.369 5.702 1.039 394 H ASP 51 HN ASP 51 -22.103 6.069 -2.592 395 HA ASP 51 HA ASP 51 -22.552 3.925 -4.424 396 1HB ASP 51 HB2 ASP 51 -23.169 6.332 -4.809 397 2HB ASP 51 HB1 ASP 51 -21.457 6.693 -4.980 398 H ALA 52 HN ALA 52 -19.776 5.531 -3.057 399 HA ALA 52 HA ALA 52 -17.860 4.236 -4.771 400 1HB ALA 52 HB1 ALA 52 -16.185 5.204 -3.295 401 2HB ALA 52 HB2 ALA 52 -17.441 5.665 -2.147 402 3HB ALA 52 HB3 ALA 52 -17.386 6.414 -3.741 403 H ALA 53 HN ALA 53 -19.263 3.713 -1.604 404 HA ALA 53 HA ALA 53 -17.549 1.745 -0.630 405 1HB ALA 53 HB1 ALA 53 -19.245 2.840 0.743 406 2HB ALA 53 HB2 ALA 53 -19.396 1.086 0.828 407 3HB ALA 53 HB3 ALA 53 -20.516 2.020 -0.163 408 H LYS 54 HN LYS 54 -20.385 1.477 -2.720 409 HA LYS 54 HA LYS 54 -20.623 -1.298 -2.786 410 1HB LYS 54 HB2 LYS 54 -21.254 0.770 -4.889 411 2HB LYS 54 HB1 LYS 54 -21.712 -0.923 -5.024 412 1HG LYS 54 HG2 LYS 54 -23.090 -0.761 -3.065 413 2HG LYS 54 HG1 LYS 54 -22.544 0.891 -2.773 414 1HD LYS 54 HD2 LYS 54 -23.608 1.648 -4.798 415 2HD LYS 54 HD1 LYS 54 -24.038 -0.008 -5.234 416 1HE LYS 54 HE2 LYS 54 -25.934 1.252 -4.278 417 2HE LYS 54 HE1 LYS 54 -25.510 -0.172 -3.329 418 1HZ LYS 54 HZ1 LYS 54 -24.699 2.618 -2.701 419 2HZ LYS 54 HZ2 LYS 54 -24.333 1.243 -1.773 420 3HZ LYS 54 HZ3 LYS 54 -25.940 1.759 -1.930 421 H THR 55 HN THR 55 -18.174 0.672 -4.161 422 HA THR 55 HA THR 55 -17.305 -1.462 -5.964 423 HB THR 55 HB THR 55 -16.100 1.290 -5.609 424 HG1 THR 55 HG1 THR 55 -18.171 0.334 -7.310 425 1HG2 THR 55 HG21 THR 55 -14.622 -0.347 -6.682 426 2HG2 THR 55 HG22 THR 55 -15.153 0.881 -7.831 427 3HG2 THR 55 HG23 THR 55 -15.886 -0.723 -7.854 428 H LEU 56 HN LEU 56 -16.215 0.378 -3.130 429 HA LEU 56 HA LEU 56 -13.612 -0.850 -3.147 430 1HB LEU 56 HB2 LEU 56 -14.937 0.942 -1.118 431 2HB LEU 56 HB1 LEU 56 -13.261 0.432 -1.060 432 HG LEU 56 HG LEU 56 -14.502 2.116 -3.238 433 1HD1 LEU 56 HD11 LEU 56 -13.130 3.914 -2.321 434 2HD1 LEU 56 HD12 LEU 56 -12.591 2.847 -1.026 435 3HD1 LEU 56 HD13 LEU 56 -14.286 3.320 -1.130 436 1HD2 LEU 56 HD21 LEU 56 -12.206 2.391 -4.031 437 2HD2 LEU 56 HD22 LEU 56 -12.699 0.699 -4.074 438 3HD2 LEU 56 HD23 LEU 56 -11.639 1.276 -2.788 439 H GLU 57 HN GLU 57 -16.595 -1.289 -1.319 440 HA GLU 57 HA GLU 57 -15.663 -2.711 0.855 441 1HB GLU 57 HB2 GLU 57 -18.263 -2.949 -0.641 442 2HB GLU 57 HB1 GLU 57 -17.949 -3.809 0.850 443 1HG GLU 57 HG2 GLU 57 -17.812 -0.820 0.556 444 2HG GLU 57 HG1 GLU 57 -19.245 -1.694 1.091 445 HA PRO 58 HA PRO 58 -16.108 -6.928 -1.764 446 1HB PRO 58 HB2 PRO 58 -15.465 -5.719 -4.395 447 2HB PRO 58 HB1 PRO 58 -16.536 -7.067 -4.005 448 1HG PRO 58 HG2 PRO 58 -17.449 -4.610 -4.657 449 2HG PRO 58 HG1 PRO 58 -18.310 -5.702 -3.561 450 1HD PRO 58 HD2 PRO 58 -16.830 -3.225 -2.959 451 2HD PRO 58 HD1 PRO 58 -18.118 -4.032 -2.057 452 H LEU 59 HN LEU 59 -13.983 -4.228 -2.658 453 HA LEU 59 HA LEU 59 -11.881 -5.889 -3.610 454 1HB LEU 59 HB2 LEU 59 -12.276 -2.994 -3.176 455 2HB LEU 59 HB1 LEU 59 -10.616 -3.557 -3.181 456 HG LEU 59 HG LEU 59 -10.903 -4.475 -5.425 457 1HD1 LEU 59 HD11 LEU 59 -12.941 -4.061 -6.705 458 2HD1 LEU 59 HD12 LEU 59 -13.708 -3.386 -5.267 459 3HD1 LEU 59 HD13 LEU 59 -13.254 -5.090 -5.307 460 1HD2 LEU 59 HD21 LEU 59 -11.849 -1.622 -5.196 461 2HD2 LEU 59 HD22 LEU 59 -11.172 -2.371 -6.642 462 3HD2 LEU 59 HD23 LEU 59 -10.171 -2.166 -5.204 463 H SER 60 HN SER 60 -12.145 -3.928 -0.619 464 HA SER 60 HA SER 60 -9.610 -4.713 0.347 465 1HB SER 60 HB2 SER 60 -10.265 -3.711 2.444 466 2HB SER 60 HB1 SER 60 -10.880 -2.709 1.132 467 HG SER 60 HG SER 60 -12.256 -4.395 2.911 468 H ALA 61 HN ALA 61 -12.758 -6.164 0.518 469 HA ALA 61 HA ALA 61 -12.329 -7.882 2.722 470 1HB ALA 61 HB1 ALA 61 -14.324 -9.040 1.979 471 2HB ALA 61 HB2 ALA 61 -14.236 -8.229 0.416 472 3HB ALA 61 HB3 ALA 61 -14.555 -7.294 1.879 473 H LYS 62 HN LYS 62 -10.778 -7.886 -0.176 474 HA LYS 62 HA LYS 62 -10.534 -10.766 -0.414 475 1HB LYS 62 HB2 LYS 62 -9.138 -8.524 -1.881 476 2HB LYS 62 HB1 LYS 62 -8.939 -10.234 -2.241 477 1HG LYS 62 HG2 LYS 62 -11.369 -10.359 -2.733 478 2HG LYS 62 HG1 LYS 62 -11.464 -8.612 -2.502 479 1HD LYS 62 HD2 LYS 62 -9.899 -8.265 -4.332 480 2HD LYS 62 HD1 LYS 62 -9.727 -10.010 -4.536 481 1HE LYS 62 HE2 LYS 62 -12.187 -10.112 -4.986 482 2HE LYS 62 HE1 LYS 62 -12.201 -8.349 -4.986 483 1HZ LYS 62 HZ1 LYS 62 -12.031 -9.394 -7.223 484 2HZ LYS 62 HZ2 LYS 62 -10.500 -9.979 -6.792 485 3HZ LYS 62 HZ3 LYS 62 -10.778 -8.306 -6.874 486 H TYR 63 HN TYR 63 -9.367 -8.562 1.691 487 HA TYR 63 HA TYR 63 -6.767 -9.919 1.944 488 1HB TYR 63 HB2 TYR 63 -7.637 -7.140 2.654 489 2HB TYR 63 HB1 TYR 63 -6.252 -7.875 3.452 490 HD1 TYR 63 HD1 TYR 63 -7.489 -6.355 0.391 491 HD2 TYR 63 HD2 TYR 63 -4.275 -8.519 2.151 492 HE1 TYR 63 HE1 TYR 63 -6.036 -5.737 -1.499 493 HE2 TYR 63 HE2 TYR 63 -2.820 -7.906 0.283 494 HH TYR 63 HH TYR 63 -3.636 -5.512 -1.990 495 H LYS 64 HN LYS 64 -9.798 -9.534 3.486 496 HA LYS 64 HA LYS 64 -9.134 -9.491 6.153 497 1HB LYS 64 HB2 LYS 64 -11.346 -10.729 6.503 498 2HB LYS 64 HB1 LYS 64 -11.389 -9.175 5.688 499 1HG LYS 64 HG2 LYS 64 -12.785 -10.349 4.344 500 2HG LYS 64 HG1 LYS 64 -11.257 -10.690 3.533 501 1HD LYS 64 HD2 LYS 64 -11.109 -12.799 4.854 502 2HD LYS 64 HD1 LYS 64 -12.726 -12.465 5.478 503 1HE LYS 64 HE2 LYS 64 -12.840 -14.013 3.610 504 2HE LYS 64 HE1 LYS 64 -13.602 -12.480 3.188 505 1HZ LYS 64 HZ1 LYS 64 -11.672 -11.847 1.949 506 2HZ LYS 64 HZ2 LYS 64 -12.157 -13.383 1.420 507 3HZ LYS 64 HZ3 LYS 64 -10.821 -13.225 2.451 508 H ASN 65 HN ASN 65 -7.829 -10.672 7.249 509 HA ASN 65 HA ASN 65 -6.966 -12.408 8.395 510 1HB ASN 65 HB2 ASN 65 -9.348 -13.897 7.296 511 2HB ASN 65 HB1 ASN 65 -8.248 -14.542 8.511 512 1HD2 ASN 65 HD21 ASN 65 -8.189 -13.541 10.577 513 2HD2 ASN 65 HD22 ASN 65 -9.532 -12.612 11.149 514 H ILE 66 HN ILE 66 -6.147 -11.986 5.530 515 HA ILE 66 HA ILE 66 -5.295 -14.570 4.623 516 HB ILE 66 HB ILE 66 -4.031 -11.877 4.054 517 1HG1 ILE 66 HG12 ILE 66 -6.145 -13.420 2.538 518 2HG1 ILE 66 HG11 ILE 66 -6.340 -11.859 3.334 519 1HG2 ILE 66 HG21 ILE 66 -2.528 -13.723 3.573 520 2HG2 ILE 66 HG22 ILE 66 -3.084 -12.974 2.076 521 3HG2 ILE 66 HG23 ILE 66 -3.775 -14.509 2.603 522 1HD1 ILE 66 HD11 ILE 66 -6.142 -11.594 0.936 523 2HD1 ILE 66 HD12 ILE 66 -4.585 -12.423 0.957 524 3HD1 ILE 66 HD13 ILE 66 -4.764 -10.863 1.760 525 H ALA 67 HN ALA 67 -4.139 -12.190 6.824 526 HA ALA 67 HA ALA 67 -2.230 -13.817 8.123 527 1HB ALA 67 HB1 ALA 67 -0.192 -12.598 7.467 528 2HB ALA 67 HB2 ALA 67 -1.127 -11.668 6.294 529 3HB ALA 67 HB3 ALA 67 -0.923 -13.406 6.078 530 H GLY 68 HN GLY 68 -0.559 -11.487 8.860 531 1HA GLY 68 HA2 GLY 68 -2.311 -10.129 10.673 532 2HA GLY 68 HA1 GLY 68 -0.614 -9.756 10.386 533 H VAL 69 HN VAL 69 -3.559 -9.731 8.416 534 HA VAL 69 HA VAL 69 -2.827 -7.046 7.472 535 HB VAL 69 HB VAL 69 -4.414 -7.607 5.531 536 1HG1 VAL 69 HG11 VAL 69 -1.978 -7.484 5.308 537 2HG1 VAL 69 HG12 VAL 69 -2.670 -8.742 4.282 538 3HG1 VAL 69 HG13 VAL 69 -1.853 -9.179 5.784 539 1HG2 VAL 69 HG21 VAL 69 -5.473 -9.556 6.507 540 2HG2 VAL 69 HG22 VAL 69 -3.918 -10.386 6.569 541 3HG2 VAL 69 HG23 VAL 69 -4.641 -9.982 5.010 542 H GLU 70 HN GLU 70 -4.067 -5.428 8.030 543 HA GLU 70 HA GLU 70 -6.800 -5.998 8.979 544 1HB GLU 70 HB2 GLU 70 -5.129 -3.601 9.726 545 2HB GLU 70 HB1 GLU 70 -6.631 -4.134 10.465 546 1HG GLU 70 HG2 GLU 70 -5.422 -6.184 11.230 547 2HG GLU 70 HG1 GLU 70 -3.932 -5.440 10.653 548 H GLU 71 HN GLU 71 -8.273 -5.380 7.528 549 HA GLU 71 HA GLU 71 -7.708 -3.128 5.767 550 1HB GLU 71 HB2 GLU 71 -9.810 -3.765 4.627 551 2HB GLU 71 HB1 GLU 71 -8.667 -5.097 4.708 552 1HG GLU 71 HG2 GLU 71 -9.905 -6.126 6.486 553 2HG GLU 71 HG1 GLU 71 -10.979 -4.732 6.600 554 H LYS 72 HN LYS 72 -8.382 -1.134 6.238 555 HA LYS 72 HA LYS 72 -10.810 -0.840 7.873 556 1HB LYS 72 HB2 LYS 72 -8.253 0.750 8.124 557 2HB LYS 72 HB1 LYS 72 -9.767 1.198 8.895 558 1HG LYS 72 HG2 LYS 72 -9.733 -0.896 10.163 559 2HG LYS 72 HG1 LYS 72 -8.206 -1.330 9.393 560 1HD LYS 72 HD2 LYS 72 -7.120 0.591 10.392 561 2HD LYS 72 HD1 LYS 72 -8.651 1.131 11.080 562 1HE LYS 72 HE2 LYS 72 -7.364 0.049 12.798 563 2HE LYS 72 HE1 LYS 72 -8.747 -0.967 12.397 564 1HZ LYS 72 HZ1 LYS 72 -6.738 -2.275 12.626 565 2HZ LYS 72 HZ2 LYS 72 -5.964 -1.360 11.439 566 3HZ LYS 72 HZ3 LYS 72 -7.289 -2.331 11.028 567 H LEU 73 HN LEU 73 -12.135 -0.356 6.184 568 HA LEU 73 HA LEU 73 -11.427 1.700 4.278 569 1HB LEU 73 HB2 LEU 73 -13.914 0.061 4.725 570 2HB LEU 73 HB1 LEU 73 -13.842 1.349 3.538 571 HG LEU 73 HG LEU 73 -12.048 -1.080 3.533 572 1HD1 LEU 73 HD11 LEU 73 -14.378 -1.678 3.103 573 2HD1 LEU 73 HD12 LEU 73 -13.394 -1.830 1.647 574 3HD1 LEU 73 HD13 LEU 73 -14.464 -0.442 1.847 575 1HD2 LEU 73 HD21 LEU 73 -12.506 1.080 1.483 576 2HD2 LEU 73 HD22 LEU 73 -11.472 -0.335 1.287 577 3HD2 LEU 73 HD23 LEU 73 -11.064 0.896 2.483 578 H THR 74 HN THR 74 -11.368 3.719 5.070 579 HA THR 74 HA THR 74 -13.578 4.564 6.813 580 HB THR 74 HB THR 74 -12.123 6.513 7.388 581 HG1 THR 74 HG1 THR 74 -9.861 5.163 6.446 582 1HG2 THR 74 HG21 THR 74 -10.601 5.245 8.840 583 2HG2 THR 74 HG22 THR 74 -10.950 3.781 7.918 584 3HG2 THR 74 HG23 THR 74 -12.229 4.564 8.848 585 H TYR 75 HN TYR 75 -15.170 5.457 5.731 586 HA TYR 75 HA TYR 75 -14.602 7.011 3.307 587 1HB TYR 75 HB2 TYR 75 -17.245 6.031 4.413 588 2HB TYR 75 HB1 TYR 75 -17.014 6.839 2.870 589 HD1 TYR 75 HD1 TYR 75 -16.267 3.748 4.758 590 HD2 TYR 75 HD2 TYR 75 -16.401 5.617 0.940 591 HE1 TYR 75 HE1 TYR 75 -15.956 1.562 3.685 592 HE2 TYR 75 HE2 TYR 75 -16.086 3.431 -0.145 593 HH TYR 75 HH TYR 75 -16.238 0.448 1.659 594 H THR 76 HN THR 76 -14.938 9.188 3.224 595 HA THR 76 HA THR 76 -15.872 10.466 5.694 596 HB THR 76 HB THR 76 -14.872 12.555 4.730 597 HG1 THR 76 HG1 THR 76 -13.580 10.842 2.863 598 1HG2 THR 76 HG21 THR 76 -13.625 11.205 6.338 599 2HG2 THR 76 HG22 THR 76 -12.539 11.906 5.138 600 3HG2 THR 76 HG23 THR 76 -12.998 10.206 5.028 601 H ASP 77 HN ASP 77 -15.918 11.567 2.361 602 HA ASP 77 HA ASP 77 -18.693 11.405 1.928 603 1HB ASP 77 HB2 ASP 77 -19.176 13.891 1.977 604 2HB ASP 77 HB1 ASP 77 -19.010 13.127 3.552 605 H THR 78 HN THR 78 -15.680 13.074 1.267 606 HA THR 78 HA THR 78 -16.426 13.259 -1.570 607 HB THR 78 HB THR 78 -14.189 14.708 -0.135 608 HG1 THR 78 HG1 THR 78 -16.279 15.361 0.622 609 1HG2 THR 78 HG21 THR 78 -13.852 14.481 -2.556 610 2HG2 THR 78 HG22 THR 78 -14.186 16.155 -2.113 611 3HG2 THR 78 HG23 THR 78 -15.452 15.168 -2.844 612 H TYR 79 HN TYR 79 -14.247 11.779 0.680 613 HA TYR 79 HA TYR 79 -13.077 10.248 -1.504 614 1HB TYR 79 HB2 TYR 79 -10.796 10.524 -0.674 615 2HB TYR 79 HB1 TYR 79 -11.483 12.080 -1.114 616 HD1 TYR 79 HD1 TYR 79 -10.118 10.055 1.573 617 HD2 TYR 79 HD2 TYR 79 -12.155 13.681 0.664 618 HE1 TYR 79 HE1 TYR 79 -9.520 10.941 3.788 619 HE2 TYR 79 HE2 TYR 79 -11.563 14.572 2.875 620 HH TYR 79 HH TYR 79 -10.918 13.795 5.068 621 H ALA 80 HN ALA 80 -11.810 8.370 -0.664 622 HA ALA 80 HA ALA 80 -12.684 7.499 2.002 623 1HB ALA 80 HB1 ALA 80 -12.863 5.825 -0.502 624 2HB ALA 80 HB2 ALA 80 -14.226 6.505 0.385 625 3HB ALA 80 HB3 ALA 80 -13.211 5.274 1.136 626 H GLN 81 HN GLN 81 -11.177 6.290 3.102 627 HA GLN 81 HA GLN 81 -8.636 5.851 1.677 628 1HB GLN 81 HB2 GLN 81 -9.121 6.654 4.542 629 2HB GLN 81 HB1 GLN 81 -7.569 6.072 3.960 630 1HG GLN 81 HG2 GLN 81 -7.551 7.940 2.322 631 2HG GLN 81 HG1 GLN 81 -9.019 8.555 3.084 632 1HE2 GLN 81 HE21 GLN 81 -6.483 6.995 4.885 633 2HE2 GLN 81 HE22 GLN 81 -5.928 8.402 5.721 634 H GLU 82 HN GLU 82 -8.152 3.803 1.405 635 HA GLU 82 HA GLU 82 -9.121 1.747 3.198 636 1HB GLU 82 HB2 GLU 82 -7.038 1.475 1.021 637 2HB GLU 82 HB1 GLU 82 -7.949 0.184 1.784 638 1HG GLU 82 HG2 GLU 82 -10.010 1.120 0.768 639 2HG GLU 82 HG1 GLU 82 -8.999 2.280 -0.096 640 H ASN 83 HN ASN 83 -8.175 2.343 5.186 641 HA ASN 83 HA ASN 83 -5.309 2.635 5.371 642 1HB ASN 83 HB2 ASN 83 -7.322 2.214 7.600 643 2HB ASN 83 HB1 ASN 83 -5.661 2.761 7.788 644 1HD2 ASN 83 HD21 ASN 83 -5.122 4.887 7.202 645 2HD2 ASN 83 HD22 ASN 83 -6.341 6.096 6.993 646 H VAL 84 HN VAL 84 -4.311 0.795 4.676 647 HA VAL 84 HA VAL 84 -5.290 -1.748 5.819 648 HB VAL 84 HB VAL 84 -3.724 -1.391 3.259 649 1HG1 VAL 84 HG11 VAL 84 -5.168 -3.783 4.396 650 2HG1 VAL 84 HG12 VAL 84 -3.419 -3.575 4.285 651 3HG1 VAL 84 HG13 VAL 84 -4.387 -3.711 2.817 652 1HG2 VAL 84 HG21 VAL 84 -5.922 -0.372 3.035 653 2HG2 VAL 84 HG22 VAL 84 -6.685 -1.844 3.637 654 3HG2 VAL 84 HG23 VAL 84 -5.831 -1.860 2.093 655 H THR 85 HN THR 85 -3.999 -2.858 7.106 656 HA THR 85 HA THR 85 -1.119 -2.236 7.092 657 HB THR 85 HB THR 85 -2.703 -3.548 9.314 658 HG1 THR 85 HG1 THR 85 -2.663 -0.993 8.591 659 1HG2 THR 85 HG21 THR 85 -0.334 -4.117 9.330 660 2HG2 THR 85 HG22 THR 85 -0.708 -3.029 10.667 661 3HG2 THR 85 HG23 THR 85 0.096 -2.410 9.223 662 H ILE 86 HN ILE 86 -0.021 -3.707 5.964 663 HA ILE 86 HA ILE 86 -1.026 -6.477 5.905 664 HB ILE 86 HB ILE 86 0.741 -5.041 3.912 665 1HG1 ILE 86 HG12 ILE 86 -2.132 -5.963 3.663 666 2HG1 ILE 86 HG11 ILE 86 -1.621 -4.295 3.895 667 1HG2 ILE 86 HG21 ILE 86 -0.414 -7.826 3.830 668 2HG2 ILE 86 HG22 ILE 86 1.286 -7.406 4.035 669 3HG2 ILE 86 HG23 ILE 86 0.463 -7.040 2.518 670 1HD1 ILE 86 HD11 ILE 86 -2.177 -4.740 1.574 671 2HD1 ILE 86 HD12 ILE 86 -0.968 -6.023 1.519 672 3HD1 ILE 86 HD13 ILE 86 -0.468 -4.347 1.749 673 H ASP 87 HN ASP 87 0.077 -7.580 7.477 674 HA ASP 87 HA ASP 87 2.850 -7.206 7.994 675 1HB ASP 87 HB2 ASP 87 1.487 -8.279 9.682 676 2HB ASP 87 HB1 ASP 87 1.052 -9.572 8.566 677 H MET 88 HN MET 88 4.578 -7.965 6.944 678 HA MET 88 HA MET 88 4.027 -9.620 4.583 679 1HB MET 88 HB2 MET 88 6.280 -7.667 5.074 680 2HB MET 88 HB1 MET 88 6.053 -8.615 3.609 681 1HG MET 88 HG2 MET 88 3.894 -7.486 3.246 682 2HG MET 88 HG1 MET 88 4.201 -6.494 4.671 683 1HE MET 88 HE1 MET 88 5.384 -7.437 1.075 684 2HE MET 88 HE2 MET 88 6.830 -7.714 2.046 685 3HE MET 88 HE3 MET 88 6.796 -6.398 0.871 686 H GLU 89 HN GLU 89 4.822 -10.293 7.501 687 HA GLU 89 HA GLU 89 7.177 -11.916 6.903 688 1HB GLU 89 HB2 GLU 89 5.665 -11.432 9.472 689 2HB GLU 89 HB1 GLU 89 6.990 -12.579 9.330 690 1HG GLU 89 HG2 GLU 89 8.453 -10.718 8.601 691 2HG GLU 89 HG1 GLU 89 7.122 -9.604 8.915 692 H LYS 90 HN LYS 90 3.753 -12.163 7.601 693 HA LYS 90 HA LYS 90 3.910 -15.043 6.992 694 1HB LYS 90 HB2 LYS 90 3.084 -14.357 9.287 695 2HB LYS 90 HB1 LYS 90 1.690 -13.640 8.493 696 1HG LYS 90 HG2 LYS 90 2.087 -16.367 7.634 697 2HG LYS 90 HG1 LYS 90 1.958 -16.258 9.390 698 1HD LYS 90 HD2 LYS 90 -0.180 -15.302 9.286 699 2HD LYS 90 HD1 LYS 90 0.000 -14.868 7.586 700 1HE LYS 90 HE2 LYS 90 -0.200 -17.677 8.669 701 2HE LYS 90 HE1 LYS 90 -1.510 -16.781 7.902 702 1HZ LYS 90 HZ1 LYS 90 -0.437 -18.301 6.353 703 2HZ LYS 90 HZ2 LYS 90 1.056 -17.538 6.603 704 3HZ LYS 90 HZ3 LYS 90 -0.213 -16.693 5.867 705 H VAL 91 HN VAL 91 3.664 -12.607 5.188 706 HA VAL 91 HA VAL 91 1.159 -12.397 4.024 707 HB VAL 91 HB VAL 91 2.695 -12.312 1.788 708 1HG1 VAL 91 HG11 VAL 91 1.239 -10.551 2.518 709 2HG1 VAL 91 HG12 VAL 91 2.837 -9.883 2.183 710 3HG1 VAL 91 HG13 VAL 91 2.327 -10.149 3.850 711 1HG2 VAL 91 HG21 VAL 91 4.731 -12.922 2.951 712 2HG2 VAL 91 HG22 VAL 91 4.513 -11.583 4.078 713 3HG2 VAL 91 HG23 VAL 91 4.832 -11.258 2.374 714 H ASP 92 HN ASP 92 -0.123 -14.006 3.469 715 HA ASP 92 HA ASP 92 0.948 -16.486 2.467 716 1HB ASP 92 HB2 ASP 92 -1.092 -16.338 3.945 717 2HB ASP 92 HB1 ASP 92 -1.952 -15.649 2.572 718 H PHE 93 HN PHE 93 1.982 -15.908 0.590 719 HA PHE 93 HA PHE 93 0.832 -14.363 -1.464 720 1HB PHE 93 HB2 PHE 93 3.087 -16.373 -1.523 721 2HB PHE 93 HB1 PHE 93 2.638 -15.377 -2.902 722 HD1 PHE 93 HD1 PHE 93 4.727 -15.620 -0.100 723 HD2 PHE 93 HD2 PHE 93 2.538 -12.800 -2.414 724 HE1 PHE 93 HE1 PHE 93 6.176 -13.815 0.734 725 HE2 PHE 93 HE2 PHE 93 3.983 -10.990 -1.586 726 HZ PHE 93 HZ PHE 93 5.807 -11.496 -0.012 727 H LYS 94 HN LYS 94 0.289 -17.554 -0.469 728 HA LYS 94 HA LYS 94 -0.517 -18.735 -2.909 729 1HB LYS 94 HB2 LYS 94 0.023 -19.986 -0.827 730 2HB LYS 94 HB1 LYS 94 -1.430 -19.342 -0.084 731 1HG LYS 94 HG2 LYS 94 -1.649 -20.893 -2.620 732 2HG LYS 94 HG1 LYS 94 -1.396 -21.742 -1.097 733 1HD LYS 94 HD2 LYS 94 -3.389 -20.608 -0.174 734 2HD LYS 94 HD1 LYS 94 -3.656 -19.849 -1.744 735 1HE LYS 94 HE2 LYS 94 -3.626 -22.815 -1.199 736 2HE LYS 94 HE1 LYS 94 -5.067 -21.828 -1.438 737 1HZ LYS 94 HZ1 LYS 94 -4.291 -21.318 -3.676 738 2HZ LYS 94 HZ2 LYS 94 -4.473 -22.989 -3.455 739 3HZ LYS 94 HZ3 LYS 94 -2.924 -22.299 -3.445 740 H ALA 95 HN ALA 95 -2.339 -17.144 -0.293 741 HA ALA 95 HA ALA 95 -4.780 -17.073 -1.785 742 1HB ALA 95 HB1 ALA 95 -3.965 -15.487 0.651 743 2HB ALA 95 HB2 ALA 95 -4.765 -17.060 0.661 744 3HB ALA 95 HB3 ALA 95 -5.603 -15.648 0.016 745 H LEU 96 HN LEU 96 -2.197 -14.739 -1.094 746 HA LEU 96 HA LEU 96 -3.393 -12.485 -2.254 747 1HB LEU 96 HB2 LEU 96 -0.520 -13.234 -1.822 748 2HB LEU 96 HB1 LEU 96 -0.969 -11.719 -2.580 749 HG LEU 96 HG LEU 96 -1.684 -12.596 0.218 750 1HD1 LEU 96 HD11 LEU 96 0.141 -10.433 -0.820 751 2HD1 LEU 96 HD12 LEU 96 0.644 -11.935 -0.042 752 3HD1 LEU 96 HD13 LEU 96 -0.251 -10.722 0.875 753 1HD2 LEU 96 HD21 LEU 96 -3.487 -11.291 -0.796 754 2HD2 LEU 96 HD22 LEU 96 -2.331 -10.036 -1.240 755 3HD2 LEU 96 HD23 LEU 96 -2.659 -10.371 0.460 756 H GLN 97 HN GLN 97 -2.019 -15.245 -3.740 757 HA GLN 97 HA GLN 97 -1.197 -14.229 -6.205 758 1HB GLN 97 HB2 GLN 97 -0.852 -16.554 -5.329 759 2HB GLN 97 HB1 GLN 97 -2.535 -16.890 -5.706 760 1HG GLN 97 HG2 GLN 97 -2.091 -16.463 -8.069 761 2HG GLN 97 HG1 GLN 97 -0.401 -16.127 -7.685 762 1HE2 GLN 97 HE21 GLN 97 -2.848 -18.567 -7.954 763 2HE2 GLN 97 HE22 GLN 97 -1.790 -19.932 -7.879 764 H GLY 98 HN GLY 98 -4.360 -14.611 -4.877 765 1HA GLY 98 HA2 GLY 98 -5.640 -14.314 -7.493 766 2HA GLY 98 HA1 GLY 98 -6.457 -14.608 -5.965 767 H ILE 99 HN ILE 99 -4.288 -12.261 -5.277 768 HA ILE 99 HA ILE 99 -6.093 -10.089 -6.106 769 HB ILE 99 HB ILE 99 -4.769 -10.182 -3.382 770 1HG1 ILE 99 HG12 ILE 99 -7.338 -10.294 -2.721 771 2HG1 ILE 99 HG11 ILE 99 -7.474 -11.085 -4.287 772 1HG2 ILE 99 HG21 ILE 99 -6.843 -8.335 -4.561 773 2HG2 ILE 99 HG22 ILE 99 -5.161 -7.937 -4.203 774 3HG2 ILE 99 HG23 ILE 99 -6.283 -8.301 -2.889 775 1HD1 ILE 99 HD11 ILE 99 -5.857 -12.768 -3.571 776 2HD1 ILE 99 HD12 ILE 99 -7.255 -12.703 -2.498 777 3HD1 ILE 99 HD13 ILE 99 -5.729 -11.972 -2.003 778 H SER 100 HN SER 100 -3.289 -9.775 -4.033 779 HA SER 100 HA SER 100 -1.348 -8.647 -4.207 780 1HB SER 100 HB2 SER 100 -1.484 -9.479 -7.106 781 2HB SER 100 HB1 SER 100 -0.055 -8.839 -6.293 782 HG SER 100 HG SER 100 -1.434 -11.147 -5.384 783 H GLY 101 HN GLY 101 -2.280 -7.819 -7.490 784 1HA GLY 101 HA2 GLY 101 -3.217 -5.804 -8.273 785 2HA GLY 101 HA1 GLY 101 -3.047 -5.127 -6.660 786 H ILE 102 HN ILE 102 -0.216 -6.631 -7.336 787 HA ILE 102 HA ILE 102 1.039 -4.091 -8.088 788 HB ILE 102 HB ILE 102 2.327 -6.580 -6.948 789 1HG1 ILE 102 HG12 ILE 102 1.638 -3.975 -5.573 790 2HG1 ILE 102 HG11 ILE 102 0.751 -5.480 -5.377 791 1HG2 ILE 102 HG21 ILE 102 4.262 -5.126 -6.546 792 2HG2 ILE 102 HG22 ILE 102 3.426 -3.798 -7.351 793 3HG2 ILE 102 HG23 ILE 102 3.874 -5.241 -8.262 794 1HD1 ILE 102 HD11 ILE 102 2.241 -5.104 -3.507 795 2HD1 ILE 102 HD12 ILE 102 3.620 -5.001 -4.604 796 3HD1 ILE 102 HD13 ILE 102 2.747 -6.523 -4.424 797 H ASN 103 HN ASN 103 1.985 -3.847 -10.017 798 HA ASN 103 HA ASN 103 1.974 -5.987 -11.930 799 1HB ASN 103 HB2 ASN 103 3.009 -3.149 -12.061 800 2HB ASN 103 HB1 ASN 103 3.129 -4.277 -13.405 801 1HD2 ASN 103 HD21 ASN 103 1.849 -2.985 -14.709 802 2HD2 ASN 103 HD22 ASN 103 0.141 -2.853 -14.483 803 H VAL 104 HN VAL 104 3.321 -7.535 -11.047 804 HA VAL 104 HA VAL 104 6.165 -7.061 -11.410 805 HB VAL 104 HB VAL 104 5.562 -6.512 -8.997 806 1HG1 VAL 104 HG11 VAL 104 3.894 -8.226 -8.627 807 2HG1 VAL 104 HG12 VAL 104 5.214 -8.393 -7.469 808 3HG1 VAL 104 HG13 VAL 104 5.106 -9.487 -8.849 809 1HG2 VAL 104 HG21 VAL 104 7.488 -7.702 -8.055 810 2HG2 VAL 104 HG22 VAL 104 7.842 -7.018 -9.642 811 3HG2 VAL 104 HG23 VAL 104 7.528 -8.746 -9.476 812 H SER 105 HN SER 105 7.344 -9.275 -11.007 813 HA SER 105 HA SER 105 5.819 -11.265 -12.477 814 1HB SER 105 HB2 SER 105 8.111 -12.410 -12.547 815 2HB SER 105 HB1 SER 105 7.956 -10.878 -13.409 816 HG SER 105 HG SER 105 9.737 -10.547 -12.257 817 H ALA 106 HN ALA 106 6.519 -13.636 -11.822 818 HA ALA 106 HA ALA 106 5.470 -13.977 -9.144 819 1HB ALA 106 HB1 ALA 106 5.391 -16.356 -9.724 820 2HB ALA 106 HB2 ALA 106 6.225 -16.012 -11.234 821 3HB ALA 106 HB3 ALA 106 4.610 -15.363 -10.953 822 H GLU 107 HN GLU 107 8.490 -14.100 -10.785 823 HA GLU 107 HA GLU 107 9.864 -15.673 -8.799 824 1HB GLU 107 HB2 GLU 107 11.235 -13.902 -10.804 825 2HB GLU 107 HB1 GLU 107 11.788 -15.422 -10.120 826 1HG GLU 107 HG2 GLU 107 11.239 -16.086 -12.226 827 2HG GLU 107 HG1 GLU 107 9.714 -16.391 -11.396 828 H ASP 108 HN ASP 108 8.491 -12.973 -8.227 829 HA ASP 108 HA ASP 108 10.743 -11.764 -6.788 830 1HB ASP 108 HB2 ASP 108 9.911 -10.416 -8.784 831 2HB ASP 108 HB1 ASP 108 8.381 -10.249 -7.930 832 H ALA 109 HN ALA 109 7.216 -11.431 -6.966 833 HA ALA 109 HA ALA 109 6.779 -10.966 -4.256 834 1HB ALA 109 HB1 ALA 109 4.434 -11.416 -4.717 835 2HB ALA 109 HB2 ALA 109 4.868 -12.166 -6.253 836 3HB ALA 109 HB3 ALA 109 5.150 -10.444 -6.002 837 H LYS 110 HN LYS 110 6.416 -14.031 -6.061 838 HA LYS 110 HA LYS 110 5.811 -15.427 -3.592 839 1HB LYS 110 HB2 LYS 110 6.148 -16.558 -6.375 840 2HB LYS 110 HB1 LYS 110 5.466 -17.392 -4.985 841 1HG LYS 110 HG2 LYS 110 3.688 -15.580 -4.955 842 2HG LYS 110 HG1 LYS 110 4.298 -15.106 -6.543 843 1HD LYS 110 HD2 LYS 110 3.221 -17.825 -5.793 844 2HD LYS 110 HD1 LYS 110 2.382 -16.605 -6.752 845 1HE LYS 110 HE2 LYS 110 4.165 -16.740 -8.439 846 2HE LYS 110 HE1 LYS 110 4.953 -18.000 -7.491 847 1HZ LYS 110 HZ1 LYS 110 2.301 -18.145 -8.821 848 2HZ LYS 110 HZ2 LYS 110 2.876 -19.320 -7.742 849 3HZ LYS 110 HZ3 LYS 110 3.696 -19.035 -9.203 850 H LYS 111 HN LYS 111 8.587 -14.347 -4.786 851 HA LYS 111 HA LYS 111 10.160 -16.763 -4.277 852 1HB LYS 111 HB2 LYS 111 10.665 -15.447 -6.298 853 2HB LYS 111 HB1 LYS 111 11.003 -14.043 -5.298 854 1HG LYS 111 HG2 LYS 111 13.065 -15.054 -5.998 855 2HG LYS 111 HG1 LYS 111 12.870 -15.269 -4.258 856 1HD LYS 111 HD2 LYS 111 12.082 -17.555 -4.631 857 2HD LYS 111 HD1 LYS 111 12.269 -17.337 -6.372 858 1HE LYS 111 HE2 LYS 111 14.174 -18.537 -5.503 859 2HE LYS 111 HE1 LYS 111 14.678 -16.933 -6.033 860 1HZ LYS 111 HZ1 LYS 111 15.672 -17.512 -3.916 861 2HZ LYS 111 HZ2 LYS 111 14.143 -17.749 -3.224 862 3HZ LYS 111 HZ3 LYS 111 14.619 -16.196 -3.725 863 H GLY 112 HN GLY 112 9.456 -13.597 -3.000 864 1HA GLY 112 HA2 GLY 112 9.713 -13.615 -0.463 865 2HA GLY 112 HA1 GLY 112 11.386 -14.035 -0.815 866 H ILE 113 HN ILE 113 9.401 -11.538 -0.059 867 HA ILE 113 HA ILE 113 10.550 -9.575 -1.843 868 HB ILE 113 HB ILE 113 8.520 -9.337 0.370 869 1HG1 ILE 113 HG12 ILE 113 7.622 -10.456 -1.550 870 2HG1 ILE 113 HG11 ILE 113 7.007 -8.808 -1.566 871 1HG2 ILE 113 HG21 ILE 113 9.773 -7.265 0.256 872 2HG2 ILE 113 HG22 ILE 113 8.147 -7.037 -0.388 873 3HG2 ILE 113 HG23 ILE 113 9.518 -7.183 -1.487 874 1HD1 ILE 113 HD11 ILE 113 9.196 -9.954 -3.288 875 2HD1 ILE 113 HD12 ILE 113 8.786 -8.240 -3.220 876 3HD1 ILE 113 HD13 ILE 113 7.599 -9.407 -3.797 877 H THR 114 HN THR 114 11.994 -8.060 -1.359 878 HA THR 114 HA THR 114 13.105 -7.971 1.364 879 HB THR 114 HB THR 114 15.350 -7.635 0.390 880 HG1 THR 114 HG1 THR 114 14.361 -8.516 -2.116 881 1HG2 THR 114 HG21 THR 114 15.743 -9.943 -0.367 882 2HG2 THR 114 HG22 THR 114 14.002 -10.177 -0.530 883 3HG2 THR 114 HG23 THR 114 14.708 -9.888 1.060 884 H MET 115 HN MET 115 14.849 -5.915 1.147 885 HA MET 115 HA MET 115 13.101 -3.654 0.753 886 1HB MET 115 HB2 MET 115 14.672 -3.663 2.631 887 2HB MET 115 HB1 MET 115 16.027 -3.757 1.515 888 1HG MET 115 HG2 MET 115 15.699 -1.498 2.389 889 2HG MET 115 HG1 MET 115 15.505 -1.568 0.638 890 1HE MET 115 HE1 MET 115 12.947 1.208 1.568 891 2HE MET 115 HE2 MET 115 14.297 0.751 0.528 892 3HE MET 115 HE3 MET 115 14.543 0.931 2.265 893 H ALA 116 HN ALA 116 16.125 -4.828 -0.706 894 HA ALA 116 HA ALA 116 16.321 -2.852 -2.695 895 1HB ALA 116 HB1 ALA 116 17.839 -4.375 -3.830 896 2HB ALA 116 HB2 ALA 116 17.292 -5.704 -2.806 897 3HB ALA 116 HB3 ALA 116 18.167 -4.347 -2.097 898 H GLN 117 HN GLN 117 14.426 -5.760 -2.468 899 HA GLN 117 HA GLN 117 13.507 -6.090 -5.085 900 1HB GLN 117 HB2 GLN 117 12.908 -7.154 -2.611 901 2HB GLN 117 HB1 GLN 117 11.431 -6.290 -3.010 902 1HG GLN 117 HG2 GLN 117 11.049 -8.417 -3.820 903 2HG GLN 117 HG1 GLN 117 11.568 -7.530 -5.253 904 1HE2 GLN 117 HE21 GLN 117 12.235 -9.381 -6.300 905 2HE2 GLN 117 HE22 GLN 117 13.666 -10.248 -5.832 906 H MET 118 HN MET 118 11.605 -4.452 -2.569 907 HA MET 118 HA MET 118 9.915 -3.136 -4.311 908 1HB MET 118 HB2 MET 118 10.597 -2.881 -1.454 909 2HB MET 118 HB1 MET 118 9.840 -1.475 -2.187 910 1HG MET 118 HG2 MET 118 8.260 -3.078 -1.130 911 2HG MET 118 HG1 MET 118 7.930 -2.723 -2.826 912 1HE MET 118 HE1 MET 118 6.573 -5.174 -1.424 913 2HE MET 118 HE2 MET 118 6.823 -6.452 -2.613 914 3HE MET 118 HE3 MET 118 6.380 -4.829 -3.144 915 H GLU 119 HN GLU 119 13.099 -2.093 -3.190 916 HA GLU 119 HA GLU 119 12.983 0.548 -4.121 917 1HB GLU 119 HB2 GLU 119 15.246 -1.423 -3.873 918 2HB GLU 119 HB1 GLU 119 15.512 0.188 -4.524 919 1HG GLU 119 HG2 GLU 119 14.268 -0.306 -1.835 920 2HG GLU 119 HG1 GLU 119 16.004 -0.118 -2.079 921 H LEU 120 HN LEU 120 14.394 -2.245 -5.825 922 HA LEU 120 HA LEU 120 14.640 -0.975 -8.323 923 1HB LEU 120 HB2 LEU 120 14.482 -3.855 -7.473 924 2HB LEU 120 HB1 LEU 120 14.714 -3.406 -9.146 925 HG LEU 120 HG LEU 120 16.569 -2.729 -6.861 926 1HD1 LEU 120 HD11 LEU 120 18.108 -4.279 -7.961 927 2HD1 LEU 120 HD12 LEU 120 16.862 -4.673 -9.145 928 3HD1 LEU 120 HD13 LEU 120 16.627 -5.089 -7.447 929 1HD2 LEU 120 HD21 LEU 120 16.565 -0.989 -8.572 930 2HD2 LEU 120 HD22 LEU 120 16.841 -2.204 -9.819 931 3HD2 LEU 120 HD23 LEU 120 18.075 -1.899 -8.597 932 H VAL 121 HN VAL 121 12.088 -2.834 -6.888 933 HA VAL 121 HA VAL 121 10.681 -3.319 -9.333 934 HB VAL 121 HB VAL 121 10.268 -4.034 -6.448 935 1HG1 VAL 121 HG11 VAL 121 8.335 -5.357 -7.043 936 2HG1 VAL 121 HG12 VAL 121 8.366 -4.690 -8.678 937 3HG1 VAL 121 HG13 VAL 121 8.035 -3.637 -7.298 938 1HG2 VAL 121 HG21 VAL 121 11.912 -5.294 -7.702 939 2HG2 VAL 121 HG22 VAL 121 10.713 -5.662 -8.942 940 3HG2 VAL 121 HG23 VAL 121 10.525 -6.310 -7.312 941 H MET 122 HN MET 122 10.001 -1.394 -6.387 942 HA MET 122 HA MET 122 7.511 -0.440 -7.408 943 1HB MET 122 HB2 MET 122 9.094 -0.073 -4.977 944 2HB MET 122 HB1 MET 122 8.231 1.376 -5.466 945 1HG MET 122 HG2 MET 122 6.958 -0.005 -3.891 946 2HG MET 122 HG1 MET 122 6.135 0.187 -5.438 947 1HE MET 122 HE1 MET 122 4.970 -3.388 -4.571 948 2HE MET 122 HE2 MET 122 4.503 -1.789 -5.152 949 3HE MET 122 HE3 MET 122 5.101 -1.988 -3.504 950 H LYS 123 HN LYS 123 10.820 0.767 -7.454 951 HA LYS 123 HA LYS 123 10.029 3.298 -8.554 952 1HB LYS 123 HB2 LYS 123 12.730 1.968 -8.330 953 2HB LYS 123 HB1 LYS 123 12.485 3.585 -8.979 954 1HG LYS 123 HG2 LYS 123 11.594 4.345 -6.870 955 2HG LYS 123 HG1 LYS 123 11.689 2.714 -6.208 956 1HD LYS 123 HD2 LYS 123 14.115 2.758 -6.412 957 2HD LYS 123 HD1 LYS 123 14.039 4.372 -7.123 958 1HE LYS 123 HE2 LYS 123 13.049 5.234 -5.062 959 2HE LYS 123 HE1 LYS 123 13.105 3.622 -4.354 960 1HZ LYS 123 HZ1 LYS 123 15.513 5.081 -5.291 961 2HZ LYS 123 HZ2 LYS 123 15.462 3.663 -4.360 962 3HZ LYS 123 HZ3 LYS 123 14.952 5.131 -3.693 963 H ALA 124 HN ALA 124 10.711 0.150 -9.817 964 HA ALA 124 HA ALA 124 11.020 0.914 -12.542 965 1HB ALA 124 HB1 ALA 124 9.919 -1.690 -11.494 966 2HB ALA 124 HB2 ALA 124 11.637 -1.320 -11.608 967 3HB ALA 124 HB3 ALA 124 10.653 -1.397 -13.071 968 H ALA 125 HN ALA 125 8.279 0.271 -10.455 969 HA ALA 125 HA ALA 125 6.288 0.295 -12.488 970 1HB ALA 125 HB1 ALA 125 5.969 0.894 -9.546 971 2HB ALA 125 HB2 ALA 125 5.938 -0.719 -10.262 972 3HB ALA 125 HB3 ALA 125 4.687 0.456 -10.676 973 H GLY 126 HN GLY 126 8.157 2.726 -11.053 974 1HA GLY 126 HA2 GLY 126 8.233 4.977 -11.581 975 2HA GLY 126 HA1 GLY 126 6.789 4.760 -12.559 976 H PHE 127 HN PHE 127 7.109 3.891 -9.166 977 HA PHE 127 HA PHE 127 4.846 5.527 -8.481 978 1HB PHE 127 HB2 PHE 127 6.689 3.798 -6.830 979 2HB PHE 127 HB1 PHE 127 5.365 4.723 -6.135 980 HD1 PHE 127 HD1 PHE 127 3.200 4.346 -8.023 981 HD2 PHE 127 HD2 PHE 127 6.128 1.569 -6.672 982 HE1 PHE 127 HE1 PHE 127 1.640 2.495 -8.459 983 HE2 PHE 127 HE2 PHE 127 4.573 -0.286 -7.113 984 HZ PHE 127 HZ PHE 127 2.327 0.175 -8.006 985 H LYS 128 HN LYS 128 4.954 7.070 -6.633 986 HA LYS 128 HA LYS 128 7.200 8.869 -7.085 987 1HB LYS 128 HB2 LYS 128 4.901 9.729 -7.303 988 2HB LYS 128 HB1 LYS 128 4.586 9.307 -5.628 989 1HG LYS 128 HG2 LYS 128 6.153 10.956 -4.860 990 2HG LYS 128 HG1 LYS 128 6.658 11.303 -6.518 991 1HD LYS 128 HD2 LYS 128 4.440 12.121 -7.054 992 2HD LYS 128 HD1 LYS 128 3.864 11.687 -5.445 993 1HE LYS 128 HE2 LYS 128 5.371 13.314 -4.449 994 2HE LYS 128 HE1 LYS 128 6.011 13.718 -6.042 995 1HZ LYS 128 HZ1 LYS 128 4.264 15.259 -5.124 996 2HZ LYS 128 HZ2 LYS 128 3.142 14.008 -5.361 997 3HZ LYS 128 HZ3 LYS 128 3.971 14.664 -6.686 998 H GLU 129 HN GLU 129 8.874 8.348 -5.877 999 HA GLU 129 HA GLU 129 8.555 7.192 -3.243 1000 1HB GLU 129 HB2 GLU 129 10.261 6.703 -5.268 1001 2HB GLU 129 HB1 GLU 129 11.235 7.833 -4.339 1002 1HG GLU 129 HG2 GLU 129 9.960 5.540 -2.942 1003 2HG GLU 129 HG1 GLU 129 11.389 5.259 -3.934 1004 H VAL 130 HN VAL 130 8.865 8.247 -1.343 1005 HA VAL 130 HA VAL 130 9.399 11.143 -1.575 1006 HB VAL 130 HB VAL 130 7.458 9.781 0.303 1007 1HG1 VAL 130 HG11 VAL 130 7.886 12.710 -0.268 1008 2HG1 VAL 130 HG12 VAL 130 8.340 11.862 1.210 1009 3HG1 VAL 130 HG13 VAL 130 6.639 12.030 0.778 1010 1HG2 VAL 130 HG21 VAL 130 6.918 11.327 -2.224 1011 2HG2 VAL 130 HG22 VAL 130 5.693 10.763 -1.088 1012 3HG2 VAL 130 HG23 VAL 130 6.673 9.598 -1.977 1013 H LYS 131 HN LYS 131 10.327 8.254 0.027 1014 HA LYS 131 HA LYS 131 11.370 7.728 1.978 1015 1HB LYS 131 HB2 LYS 131 12.375 10.555 1.643 1016 2HB LYS 131 HB1 LYS 131 12.804 9.596 3.049 1017 1HG LYS 131 HG2 LYS 131 14.588 9.450 1.498 1018 2HG LYS 131 HG1 LYS 131 13.763 7.892 1.497 1019 1HD LYS 131 HD2 LYS 131 12.638 8.438 -0.559 1020 2HD LYS 131 HD1 LYS 131 13.291 10.077 -0.526 1021 1HE LYS 131 HE2 LYS 131 15.513 9.275 -0.868 1022 2HE LYS 131 HE1 LYS 131 15.002 7.601 -0.643 1023 1HZ LYS 131 HZ1 LYS 131 14.082 9.355 -2.855 1024 2HZ LYS 131 HZ2 LYS 131 13.738 7.705 -2.654 1025 3HZ LYS 131 HZ3 LYS 131 15.322 8.204 -2.988 1026 H LEU 132 HN LEU 132 11.522 10.629 3.601 1027 HA LEU 132 HA LEU 132 9.044 11.434 4.315 1028 1HB LEU 132 HB2 LEU 132 8.620 10.372 6.532 1029 2HB LEU 132 HB1 LEU 132 8.362 9.321 5.160 1030 HG LEU 132 HG LEU 132 10.749 8.434 5.690 1031 1HD1 LEU 132 HD11 LEU 132 11.360 10.125 7.335 1032 2HD1 LEU 132 HD12 LEU 132 11.328 8.519 8.064 1033 3HD1 LEU 132 HD13 LEU 132 9.999 9.643 8.349 1034 1HD2 LEU 132 HD21 LEU 132 8.398 7.852 7.482 1035 2HD2 LEU 132 HD22 LEU 132 9.790 6.799 7.228 1036 3HD2 LEU 132 HD23 LEU 132 8.693 7.148 5.891 1037 H GLU 133 HN GLU 133 12.245 10.669 5.401 1038 HA GLU 133 HA GLU 133 12.323 12.610 7.493 1039 1HB GLU 133 HB2 GLU 133 13.730 10.586 7.460 1040 2HB GLU 133 HB1 GLU 133 14.563 11.195 6.040 1041 1HG GLU 133 HG2 GLU 133 15.451 13.047 7.315 1042 2HG GLU 133 HG1 GLU 133 14.556 12.516 8.742 1043 H HIS 134 HN HIS 134 13.188 12.525 4.109 1044 HA HIS 134 HA HIS 134 14.583 15.033 4.113 1045 1HB HIS 134 HB2 HIS 134 14.912 13.011 2.539 1046 2HB HIS 134 HB1 HIS 134 13.504 13.616 1.680 1047 HD1 HIS 134 HD1 HIS 134 17.123 14.238 2.226 1048 HD2 HIS 134 HD2 HIS 134 13.936 16.032 0.247 1049 HE1 HIS 134 HE1 HIS 134 18.150 15.939 0.690 1050 HE2 HIS 134 HE2 HIS 134 16.214 16.974 -0.545 1051 H HIS 135 HN HIS 135 11.563 14.635 4.811 1052 HA HIS 135 HA HIS 135 10.143 16.152 2.875 1053 1HB HIS 135 HB2 HIS 135 8.279 16.082 4.366 1054 2HB HIS 135 HB1 HIS 135 9.081 14.524 4.461 1055 HD1 HIS 135 HD1 HIS 135 11.275 15.381 6.603 1056 HD2 HIS 135 HD2 HIS 135 7.193 16.123 6.860 1057 HE1 HIS 135 HE1 HIS 135 10.792 15.653 9.048 1058 HE2 HIS 135 HE2 HIS 135 8.284 15.870 9.189 1059 H HIS 136 HN HIS 136 10.217 18.255 2.530 1060 HA HIS 136 HA HIS 136 11.206 20.007 4.649 1061 1HB HIS 136 HB2 HIS 136 11.443 20.023 1.813 1062 2HB HIS 136 HB1 HIS 136 10.551 21.468 2.283 1063 HD1 HIS 136 HD1 HIS 136 11.793 23.156 3.889 1064 HD2 HIS 136 HD2 HIS 136 14.132 20.032 2.434 1065 HE1 HIS 136 HE1 HIS 136 14.177 23.821 4.336 1066 HE2 HIS 136 HE2 HIS 136 15.574 21.998 3.302 1067 H HIS 137 HN HIS 137 8.340 19.160 2.917 1068 HA HIS 137 HA HIS 137 6.853 21.339 4.194 1069 1HB HIS 137 HB2 HIS 137 6.699 20.672 1.644 1070 2HB HIS 137 HB1 HIS 137 5.619 19.420 2.247 1071 HD1 HIS 137 HD1 HIS 137 5.711 22.909 1.236 1072 HD2 HIS 137 HD2 HIS 137 3.296 20.535 3.662 1073 HE1 HIS 137 HE1 HIS 137 3.583 24.215 1.572 1074 HE2 HIS 137 HE2 HIS 137 2.132 22.767 3.044 1075 H HIS 138 HN HIS 138 5.217 20.914 5.648 1076 HA HIS 138 HA HIS 138 5.413 18.291 6.904 1077 1HB HIS 138 HB2 HIS 138 4.135 20.869 7.837 1078 2HB HIS 138 HB1 HIS 138 4.189 19.382 8.780 1079 HD1 HIS 138 HD1 HIS 138 6.243 22.290 7.743 1080 HD2 HIS 138 HD2 HIS 138 6.775 18.677 9.730 1081 HE1 HIS 138 HE1 HIS 138 8.504 22.442 8.828 1082 HE2 HIS 138 HE2 HIS 138 8.900 20.145 9.789 1083 H HIS 139 HN HIS 139 3.661 17.001 7.421 1084 HA HIS 139 HA HIS 139 1.092 17.687 6.153 1085 1HB HIS 139 HB2 HIS 139 2.581 15.071 6.096 1086 2HB HIS 139 HB1 HIS 139 0.830 15.113 5.935 1087 HD1 HIS 139 HD1 HIS 139 -0.145 15.943 3.731 1088 HD2 HIS 139 HD2 HIS 139 4.011 16.124 3.902 1089 HE1 HIS 139 HE1 HIS 139 0.619 16.369 1.369 1090 HE2 HIS 139 HE2 HIS 139 3.121 16.665 1.532 Start of MODEL 8 1 1H MET 1 HT1 MET 1 19.201 -5.710 12.974 2 2H MET 1 HT2 MET 1 18.676 -6.884 14.082 3 3H MET 1 HT3 MET 1 20.294 -6.381 14.089 4 HA MET 1 HA MET 1 17.921 -4.760 14.803 5 1HB MET 1 HB2 MET 1 19.257 -6.558 16.359 6 2HB MET 1 HB1 MET 1 20.160 -5.088 16.697 7 1HG MET 1 HG2 MET 1 17.180 -5.412 16.995 8 2HG MET 1 HG1 MET 1 18.353 -5.485 18.308 9 1HE MET 1 HE1 MET 1 15.757 -3.583 18.223 10 2HE MET 1 HE2 MET 1 16.428 -2.094 18.886 11 3HE MET 1 HE3 MET 1 16.868 -3.648 19.591 12 H GLY 2 HN GLY 2 21.331 -4.835 13.955 13 1HA GLY 2 HA2 GLY 2 21.769 -2.023 14.374 14 2HA GLY 2 HA1 GLY 2 22.795 -3.114 13.447 15 H ASP 3 HN ASP 3 19.465 -1.997 13.205 16 HA ASP 3 HA ASP 3 19.808 -0.978 10.525 17 1HB ASP 3 HB2 ASP 3 17.899 -2.591 9.773 18 2HB ASP 3 HB1 ASP 3 19.549 -3.205 9.827 19 H LYS 4 HN LYS 4 17.393 -2.216 12.807 20 HA LYS 4 HA LYS 4 15.744 -1.211 13.984 21 1HB LYS 4 HB2 LYS 4 16.826 1.334 12.774 22 2HB LYS 4 HB1 LYS 4 15.416 1.304 13.819 23 1HG LYS 4 HG2 LYS 4 17.242 1.917 15.176 24 2HG LYS 4 HG1 LYS 4 16.880 0.239 15.576 25 1HD LYS 4 HD2 LYS 4 18.718 -0.516 14.179 26 2HD LYS 4 HD1 LYS 4 19.048 1.143 13.682 27 1HE LYS 4 HE2 LYS 4 20.615 0.416 15.393 28 2HE LYS 4 HE1 LYS 4 19.599 1.727 15.987 29 1HZ LYS 4 HZ1 LYS 4 18.288 0.179 17.218 30 2HZ LYS 4 HZ2 LYS 4 19.917 -0.097 17.597 31 3HZ LYS 4 HZ3 LYS 4 19.103 -1.148 16.543 32 H GLU 5 HN GLU 5 13.569 -0.461 13.665 33 HA GLU 5 HA GLU 5 12.588 -1.303 11.101 34 1HB GLU 5 HB2 GLU 5 11.047 -0.192 13.455 35 2HB GLU 5 HB1 GLU 5 10.379 -1.071 12.085 36 1HG GLU 5 HG2 GLU 5 11.695 -3.048 12.760 37 2HG GLU 5 HG1 GLU 5 12.243 -2.159 14.179 38 H GLU 6 HN GLU 6 12.940 0.114 9.507 39 HA GLU 6 HA GLU 6 12.428 2.955 9.988 40 1HB GLU 6 HB2 GLU 6 13.747 1.578 7.643 41 2HB GLU 6 HB1 GLU 6 13.551 3.317 7.817 42 1HG GLU 6 HG2 GLU 6 14.906 3.189 9.898 43 2HG GLU 6 HG1 GLU 6 15.199 1.489 9.534 44 H SER 7 HN SER 7 10.838 4.053 9.007 45 HA SER 7 HA SER 7 8.905 2.501 7.465 46 1HB SER 7 HB2 SER 7 8.640 5.325 8.535 47 2HB SER 7 HB1 SER 7 7.344 4.282 7.948 48 HG SER 7 HG SER 7 8.542 2.910 9.813 49 H LYS 8 HN LYS 8 9.217 2.507 5.350 50 HA LYS 8 HA LYS 8 10.281 4.949 4.074 51 1HB LYS 8 HB2 LYS 8 11.645 2.781 4.015 52 2HB LYS 8 HB1 LYS 8 10.389 2.136 2.972 53 1HG LYS 8 HG2 LYS 8 12.126 2.865 1.564 54 2HG LYS 8 HG1 LYS 8 10.841 4.066 1.424 55 1HD LYS 8 HD2 LYS 8 12.009 5.617 2.763 56 2HD LYS 8 HD1 LYS 8 13.144 4.389 3.329 57 1HE LYS 8 HE2 LYS 8 12.925 5.401 0.496 58 2HE LYS 8 HE1 LYS 8 14.153 5.888 1.664 59 1HZ LYS 8 HZ1 LYS 8 14.921 3.590 1.755 60 2HZ LYS 8 HZ2 LYS 8 14.996 4.190 0.172 61 3HZ LYS 8 HZ3 LYS 8 13.748 3.133 0.615 62 H LYS 9 HN LYS 9 8.747 6.022 2.976 63 HA LYS 9 HA LYS 9 6.422 4.500 2.033 64 1HB LYS 9 HB2 LYS 9 5.878 6.215 3.689 65 2HB LYS 9 HB1 LYS 9 6.645 7.439 2.688 66 1HG LYS 9 HG2 LYS 9 4.956 7.334 1.068 67 2HG LYS 9 HG1 LYS 9 4.341 5.802 1.687 68 1HD LYS 9 HD2 LYS 9 2.839 7.592 2.298 69 2HD LYS 9 HD1 LYS 9 3.620 6.953 3.743 70 1HE LYS 9 HE2 LYS 9 5.213 8.834 3.678 71 2HE LYS 9 HE1 LYS 9 4.366 9.480 2.273 72 1HZ LYS 9 HZ1 LYS 9 2.347 9.617 3.661 73 2HZ LYS 9 HZ2 LYS 9 3.603 10.592 4.242 74 3HZ LYS 9 HZ3 LYS 9 3.250 9.118 5.004 75 H PHE 10 HN PHE 10 5.735 4.646 -0.058 76 HA PHE 10 HA PHE 10 6.974 6.745 -1.691 77 1HB PHE 10 HB2 PHE 10 7.177 5.403 -3.582 78 2HB PHE 10 HB1 PHE 10 7.634 4.292 -2.301 79 HD1 PHE 10 HD1 PHE 10 6.420 2.303 -1.933 80 HD2 PHE 10 HD2 PHE 10 4.901 5.245 -4.598 81 HE1 PHE 10 HE1 PHE 10 4.757 0.694 -2.755 82 HE2 PHE 10 HE2 PHE 10 3.227 3.643 -5.420 83 HZ PHE 10 HZ PHE 10 3.157 1.364 -4.500 84 H SER 11 HN SER 11 5.544 7.843 -3.055 85 HA SER 11 HA SER 11 2.716 7.161 -2.729 86 1HB SER 11 HB2 SER 11 3.875 9.911 -2.205 87 2HB SER 11 HB1 SER 11 2.171 9.475 -2.134 88 HG SER 11 HG SER 11 3.512 7.775 -0.608 89 H ALA 12 HN ALA 12 2.123 6.789 -4.761 90 HA ALA 12 HA ALA 12 2.904 8.765 -6.802 91 1HB ALA 12 HB1 ALA 12 4.024 6.587 -7.127 92 2HB ALA 12 HB2 ALA 12 2.938 6.996 -8.454 93 3HB ALA 12 HB3 ALA 12 2.443 5.814 -7.242 94 H ASN 13 HN ASN 13 1.234 9.844 -7.618 95 HA ASN 13 HA ASN 13 -1.474 9.021 -7.052 96 1HB ASN 13 HB2 ASN 13 -0.644 11.426 -7.032 97 2HB ASN 13 HB1 ASN 13 -0.584 11.331 -8.788 98 1HD2 ASN 13 HD21 ASN 13 -2.523 11.216 -9.954 99 2HD2 ASN 13 HD22 ASN 13 -4.035 11.646 -9.234 100 H LEU 14 HN LEU 14 -1.981 7.219 -8.211 101 HA LEU 14 HA LEU 14 -1.067 6.962 -10.947 102 1HB LEU 14 HB2 LEU 14 -2.105 5.161 -8.863 103 2HB LEU 14 HB1 LEU 14 -2.551 4.733 -10.503 104 HG LEU 14 HG LEU 14 -0.342 4.312 -11.137 105 1HD1 LEU 14 HD11 LEU 14 0.650 6.391 -10.338 106 2HD1 LEU 14 HD12 LEU 14 1.620 5.001 -9.851 107 3HD1 LEU 14 HD13 LEU 14 0.573 5.800 -8.678 108 1HD2 LEU 14 HD21 LEU 14 -0.473 3.556 -8.221 109 2HD2 LEU 14 HD22 LEU 14 0.567 2.824 -9.443 110 3HD2 LEU 14 HD23 LEU 14 -1.184 2.641 -9.554 111 H ASN 15 HN ASN 15 -2.307 8.635 -11.863 112 HA ASN 15 HA ASN 15 -3.910 9.339 -13.286 113 1HB ASN 15 HB2 ASN 15 -4.614 6.418 -13.146 114 2HB ASN 15 HB1 ASN 15 -5.542 7.539 -14.135 115 1HD2 ASN 15 HD21 ASN 15 -4.938 6.483 -16.027 116 2HD2 ASN 15 HD22 ASN 15 -3.346 6.643 -16.693 117 H GLY 16 HN GLY 16 -4.529 8.851 -10.200 118 1HA GLY 16 HA2 GLY 16 -6.586 10.506 -9.802 119 2HA GLY 16 HA1 GLY 16 -7.428 9.038 -10.285 120 H THR 17 HN THR 17 -5.883 7.103 -9.089 121 HA THR 17 HA THR 17 -6.660 7.432 -6.332 122 HB THR 17 HB THR 17 -5.543 5.071 -6.204 123 HG1 THR 17 HG1 THR 17 -4.577 5.340 -8.344 124 1HG2 THR 17 HG21 THR 17 -7.615 4.045 -7.023 125 2HG2 THR 17 HG22 THR 17 -8.061 5.565 -7.798 126 3HG2 THR 17 HG23 THR 17 -7.944 5.472 -6.039 127 H GLU 18 HN GLU 18 -5.414 8.285 -4.853 128 HA GLU 18 HA GLU 18 -2.573 8.659 -5.324 129 1HB GLU 18 HB2 GLU 18 -3.859 9.426 -2.748 130 2HB GLU 18 HB1 GLU 18 -2.669 10.293 -3.702 131 1HG GLU 18 HG2 GLU 18 -4.333 11.017 -5.254 132 2HG GLU 18 HG1 GLU 18 -5.549 9.986 -4.502 133 H ILE 19 HN ILE 19 -1.548 6.713 -5.060 134 HA ILE 19 HA ILE 19 -2.271 5.054 -2.777 135 HB ILE 19 HB ILE 19 -0.447 4.472 -5.115 136 1HG1 ILE 19 HG12 ILE 19 -3.261 3.607 -4.424 137 2HG1 ILE 19 HG11 ILE 19 -2.770 4.610 -5.782 138 1HG2 ILE 19 HG21 ILE 19 -0.429 2.166 -4.318 139 2HG2 ILE 19 HG22 ILE 19 -1.395 2.633 -2.917 140 3HG2 ILE 19 HG23 ILE 19 0.249 3.252 -3.104 141 1HD1 ILE 19 HD11 ILE 19 -2.093 1.707 -5.392 142 2HD1 ILE 19 HD12 ILE 19 -1.604 2.707 -6.760 143 3HD1 ILE 19 HD13 ILE 19 -3.312 2.358 -6.487 144 H ALA 20 HN ALA 20 -1.328 5.516 -0.949 145 HA ALA 20 HA ALA 20 1.518 6.264 -0.950 146 1HB ALA 20 HB1 ALA 20 -0.116 7.887 0.032 147 2HB ALA 20 HB2 ALA 20 1.155 7.369 1.134 148 3HB ALA 20 HB3 ALA 20 -0.468 6.693 1.275 149 H ILE 21 HN ILE 21 2.751 4.542 -0.581 150 HA ILE 21 HA ILE 21 1.752 2.517 1.305 151 HB ILE 21 HB ILE 21 3.609 2.197 -1.050 152 1HG1 ILE 21 HG12 ILE 21 0.846 1.133 -0.427 153 2HG1 ILE 21 HG11 ILE 21 1.265 2.311 -1.665 154 1HG2 ILE 21 HG21 ILE 21 4.399 0.831 0.805 155 2HG2 ILE 21 HG22 ILE 21 3.714 -0.175 -0.471 156 3HG2 ILE 21 HG23 ILE 21 2.787 0.140 0.995 157 1HD1 ILE 21 HD11 ILE 21 2.529 0.598 -2.858 158 2HD1 ILE 21 HD12 ILE 21 0.841 0.137 -2.635 159 3HD1 ILE 21 HD13 ILE 21 2.094 -0.579 -1.619 160 H THR 22 HN THR 22 2.678 2.681 3.208 161 HA THR 22 HA THR 22 5.502 3.487 3.387 162 HB THR 22 HB THR 22 3.545 3.250 5.677 163 HG1 THR 22 HG1 THR 22 3.098 4.845 3.816 164 1HG2 THR 22 HG21 THR 22 6.118 4.796 5.344 165 2HG2 THR 22 HG22 THR 22 5.914 3.317 6.283 166 3HG2 THR 22 HG23 THR 22 5.095 4.798 6.781 167 H TYR 23 HN TYR 23 6.789 1.723 3.333 168 HA TYR 23 HA TYR 23 5.846 -0.656 4.765 169 1HB TYR 23 HB2 TYR 23 7.729 -1.808 3.429 170 2HB TYR 23 HB1 TYR 23 6.248 -1.366 2.592 171 HD1 TYR 23 HD1 TYR 23 6.232 0.576 1.061 172 HD2 TYR 23 HD2 TYR 23 9.829 -0.850 2.823 173 HE1 TYR 23 HE1 TYR 23 7.534 1.795 -0.626 174 HE2 TYR 23 HE2 TYR 23 11.141 0.373 1.142 175 HH TYR 23 HH TYR 23 9.766 2.715 -0.922 176 H VAL 24 HN VAL 24 6.659 -1.063 6.624 177 HA VAL 24 HA VAL 24 9.159 0.155 7.476 178 HB VAL 24 HB VAL 24 7.127 -1.476 9.022 179 1HG1 VAL 24 HG11 VAL 24 8.336 -0.750 11.024 180 2HG1 VAL 24 HG12 VAL 24 9.553 0.022 10.009 181 3HG1 VAL 24 HG13 VAL 24 9.357 -1.730 9.973 182 1HG2 VAL 24 HG21 VAL 24 6.277 0.702 8.341 183 2HG2 VAL 24 HG22 VAL 24 7.707 1.483 9.021 184 3HG2 VAL 24 HG23 VAL 24 6.563 0.660 10.083 185 H TYR 25 HN TYR 25 11.003 -0.905 7.378 186 HA TYR 25 HA TYR 25 10.878 -3.838 7.139 187 1HB TYR 25 HB2 TYR 25 12.823 -3.734 5.656 188 2HB TYR 25 HB1 TYR 25 11.489 -2.793 5.004 189 HD1 TYR 25 HD1 TYR 25 14.927 -2.768 5.962 190 HD2 TYR 25 HD2 TYR 25 11.555 -0.248 5.336 191 HE1 TYR 25 HE1 TYR 25 16.424 -0.831 5.739 192 HE2 TYR 25 HE2 TYR 25 13.043 1.701 5.112 193 HH TYR 25 HH TYR 25 15.469 2.277 5.989 194 H LYS 26 HN LYS 26 12.650 -5.010 7.987 195 HA LYS 26 HA LYS 26 14.278 -3.524 9.935 196 1HB LYS 26 HB2 LYS 26 12.535 -4.837 11.084 197 2HB LYS 26 HB1 LYS 26 13.096 -6.292 10.273 198 1HG LYS 26 HG2 LYS 26 15.241 -6.112 11.418 199 2HG LYS 26 HG1 LYS 26 14.692 -4.643 12.219 200 1HD LYS 26 HD2 LYS 26 13.307 -7.306 12.497 201 2HD LYS 26 HD1 LYS 26 14.562 -6.745 13.599 202 1HE LYS 26 HE2 LYS 26 12.659 -6.105 14.719 203 2HE LYS 26 HE1 LYS 26 13.036 -4.640 13.818 204 1HZ LYS 26 HZ1 LYS 26 11.432 -5.460 12.101 205 2HZ LYS 26 HZ2 LYS 26 10.730 -5.032 13.583 206 3HZ LYS 26 HZ3 LYS 26 10.961 -6.669 13.193 207 H GLY 27 HN GLY 27 16.090 -3.389 8.719 208 1HA GLY 27 HA2 GLY 27 18.135 -4.161 7.952 209 2HA GLY 27 HA1 GLY 27 17.606 -5.805 8.291 210 H ASP 28 HN ASP 28 17.338 -7.047 6.579 211 HA ASP 28 HA ASP 28 17.175 -5.832 3.928 212 1HB ASP 28 HB2 ASP 28 17.797 -7.997 3.087 213 2HB ASP 28 HB1 ASP 28 18.825 -7.662 4.479 214 H LYS 29 HN LYS 29 15.082 -7.023 6.245 215 HA LYS 29 HA LYS 29 13.233 -8.135 4.244 216 1HB LYS 29 HB2 LYS 29 14.221 -9.603 6.120 217 2HB LYS 29 HB1 LYS 29 13.144 -8.718 7.191 218 1HG LYS 29 HG2 LYS 29 11.230 -9.450 5.821 219 2HG LYS 29 HG1 LYS 29 12.339 -10.398 4.828 220 1HD LYS 29 HD2 LYS 29 11.705 -10.769 7.749 221 2HD LYS 29 HD1 LYS 29 11.356 -11.876 6.422 222 1HE LYS 29 HE2 LYS 29 14.087 -11.126 7.465 223 2HE LYS 29 HE1 LYS 29 13.261 -12.663 7.707 224 1HZ LYS 29 HZ1 LYS 29 14.804 -12.980 5.971 225 2HZ LYS 29 HZ2 LYS 29 14.339 -11.564 5.177 226 3HZ LYS 29 HZ3 LYS 29 13.284 -12.886 5.217 227 H VAL 30 HN VAL 30 11.515 -6.907 3.833 228 HA VAL 30 HA VAL 30 10.585 -4.866 5.631 229 HB VAL 30 HB VAL 30 9.136 -6.007 3.228 230 1HG1 VAL 30 HG11 VAL 30 8.896 -3.352 4.642 231 2HG1 VAL 30 HG12 VAL 30 7.723 -4.670 4.678 232 3HG1 VAL 30 HG13 VAL 30 8.038 -3.809 3.171 233 1HG2 VAL 30 HG21 VAL 30 11.102 -3.718 3.335 234 2HG2 VAL 30 HG22 VAL 30 10.116 -4.158 1.940 235 3HG2 VAL 30 HG23 VAL 30 11.346 -5.273 2.536 236 H LEU 31 HN LEU 31 8.910 -5.034 7.106 237 HA LEU 31 HA LEU 31 7.830 -7.759 7.400 238 1HB LEU 31 HB2 LEU 31 8.798 -5.891 9.554 239 2HB LEU 31 HB1 LEU 31 7.935 -7.386 9.864 240 HG LEU 31 HG LEU 31 10.617 -7.167 8.492 241 1HD1 LEU 31 HD11 LEU 31 9.876 -8.125 11.248 242 2HD1 LEU 31 HD12 LEU 31 10.776 -6.661 10.855 243 3HD1 LEU 31 HD13 LEU 31 11.477 -8.243 10.517 244 1HD2 LEU 31 HD21 LEU 31 9.297 -9.049 7.671 245 2HD2 LEU 31 HD22 LEU 31 9.033 -9.591 9.327 246 3HD2 LEU 31 HD23 LEU 31 10.658 -9.602 8.646 247 H LYS 32 HN LYS 32 6.960 -4.605 6.851 248 HA LYS 32 HA LYS 32 4.201 -5.248 7.201 249 1HB LYS 32 HB2 LYS 32 5.487 -4.125 9.443 250 2HB LYS 32 HB1 LYS 32 4.514 -2.838 8.742 251 1HG LYS 32 HG2 LYS 32 2.524 -4.065 8.986 252 2HG LYS 32 HG1 LYS 32 3.397 -5.566 9.294 253 1HD LYS 32 HD2 LYS 32 3.402 -3.152 11.105 254 2HD LYS 32 HD1 LYS 32 2.410 -4.592 11.338 255 1HE LYS 32 HE2 LYS 32 5.418 -4.401 11.411 256 2HE LYS 32 HE1 LYS 32 4.334 -4.775 12.750 257 1HZ LYS 32 HZ1 LYS 32 5.278 -6.806 12.020 258 2HZ LYS 32 HZ2 LYS 32 4.944 -6.471 10.395 259 3HZ LYS 32 HZ3 LYS 32 3.675 -6.807 11.462 260 H GLN 33 HN GLN 33 3.318 -4.418 5.459 261 HA GLN 33 HA GLN 33 4.331 -1.855 4.427 262 1HB GLN 33 HB2 GLN 33 4.691 -3.645 2.852 263 2HB GLN 33 HB1 GLN 33 3.024 -4.180 3.008 264 1HG GLN 33 HG2 GLN 33 2.272 -2.069 2.008 265 2HG GLN 33 HG1 GLN 33 3.954 -1.581 1.814 266 1HE2 GLN 33 HE21 GLN 33 1.805 -2.039 -0.150 267 2HE2 GLN 33 HE22 GLN 33 2.452 -3.189 -1.270 268 H SER 34 HN SER 34 3.027 -0.321 5.262 269 HA SER 34 HA SER 34 0.150 -0.754 5.338 270 1HB SER 34 HB2 SER 34 0.145 1.571 6.376 271 2HB SER 34 HB1 SER 34 0.983 0.321 7.288 272 HG SER 34 HG SER 34 2.797 1.351 5.727 273 H SER 35 HN SER 35 -0.733 -0.629 3.389 274 HA SER 35 HA SER 35 0.099 1.518 1.557 275 1HB SER 35 HB2 SER 35 -1.547 -0.932 0.894 276 2HB SER 35 HB1 SER 35 -0.698 0.136 -0.226 277 HG SER 35 HG SER 35 0.454 -1.632 1.674 278 H GLU 36 HN GLU 36 -1.229 3.276 1.641 279 HA GLU 36 HA GLU 36 -4.093 2.723 2.076 280 1HB GLU 36 HB2 GLU 36 -3.097 3.990 3.922 281 2HB GLU 36 HB1 GLU 36 -2.550 5.213 2.793 282 1HG GLU 36 HG2 GLU 36 -4.835 5.804 2.264 283 2HG GLU 36 HG1 GLU 36 -5.430 4.506 3.298 284 H THR 37 HN THR 37 -5.133 2.809 0.255 285 HA THR 37 HA THR 37 -4.250 4.526 -1.919 286 HB THR 37 HB THR 37 -6.617 2.651 -1.853 287 HG1 THR 37 HG1 THR 37 -5.294 1.045 -2.151 288 1HG2 THR 37 HG21 THR 37 -6.719 4.222 -3.681 289 2HG2 THR 37 HG22 THR 37 -6.299 2.626 -4.301 290 3HG2 THR 37 HG23 THR 37 -5.052 3.857 -4.124 291 H LYS 38 HN LYS 38 -4.866 6.605 -1.762 292 HA LYS 38 HA LYS 38 -7.391 7.284 -0.504 293 1HB LYS 38 HB2 LYS 38 -5.443 8.627 0.054 294 2HB LYS 38 HB1 LYS 38 -5.214 9.028 -1.637 295 1HG LYS 38 HG2 LYS 38 -6.991 10.492 -1.675 296 2HG LYS 38 HG1 LYS 38 -7.773 9.735 -0.284 297 1HD LYS 38 HD2 LYS 38 -6.170 10.660 1.212 298 2HD LYS 38 HD1 LYS 38 -5.151 11.209 -0.113 299 1HE LYS 38 HE2 LYS 38 -7.961 12.199 0.152 300 2HE LYS 38 HE1 LYS 38 -6.676 12.903 1.133 301 1HZ LYS 38 HZ1 LYS 38 -7.128 14.065 -1.010 302 2HZ LYS 38 HZ2 LYS 38 -6.535 12.695 -1.826 303 3HZ LYS 38 HZ3 LYS 38 -5.518 13.578 -0.798 304 H ILE 39 HN ILE 39 -9.146 7.126 -1.625 305 HA ILE 39 HA ILE 39 -9.034 7.513 -4.540 306 HB ILE 39 HB ILE 39 -11.108 6.007 -2.935 307 1HG1 ILE 39 HG12 ILE 39 -8.836 4.858 -4.567 308 2HG1 ILE 39 HG11 ILE 39 -8.788 5.031 -2.818 309 1HG2 ILE 39 HG21 ILE 39 -11.744 5.065 -5.105 310 2HG2 ILE 39 HG22 ILE 39 -10.532 6.072 -5.896 311 3HG2 ILE 39 HG23 ILE 39 -11.910 6.821 -5.088 312 1HD1 ILE 39 HD11 ILE 39 -10.761 3.369 -4.365 313 2HD1 ILE 39 HD12 ILE 39 -10.687 3.526 -2.609 314 3HD1 ILE 39 HD13 ILE 39 -9.358 2.765 -3.485 315 H GLN 40 HN GLN 40 -10.258 9.047 -5.459 316 HA GLN 40 HA GLN 40 -11.855 10.748 -3.712 317 1HB GLN 40 HB2 GLN 40 -10.959 11.111 -6.580 318 2HB GLN 40 HB1 GLN 40 -11.851 12.304 -5.643 319 1HG GLN 40 HG2 GLN 40 -9.124 11.239 -4.936 320 2HG GLN 40 HG1 GLN 40 -9.439 12.773 -5.748 321 1HE2 GLN 40 HE21 GLN 40 -8.173 12.160 -3.128 322 2HE2 GLN 40 HE22 GLN 40 -9.081 13.100 -1.984 323 H PHE 41 HN PHE 41 -14.051 11.060 -3.954 324 HA PHE 41 HA PHE 41 -15.560 8.928 -4.989 325 1HB PHE 41 HB2 PHE 41 -16.240 11.650 -3.950 326 2HB PHE 41 HB1 PHE 41 -17.488 10.703 -4.750 327 HD1 PHE 41 HD1 PHE 41 -14.777 9.364 -2.610 328 HD2 PHE 41 HD2 PHE 41 -18.916 10.295 -2.937 329 HE1 PHE 41 HE1 PHE 41 -15.206 8.177 -0.501 330 HE2 PHE 41 HE2 PHE 41 -19.351 9.107 -0.827 331 HZ PHE 41 HZ PHE 41 -17.493 8.051 0.396 332 H ALA 42 HN ALA 42 -14.590 11.981 -6.382 333 HA ALA 42 HA ALA 42 -16.322 11.910 -8.629 334 1HB ALA 42 HB1 ALA 42 -15.215 13.953 -7.861 335 2HB ALA 42 HB2 ALA 42 -14.868 13.624 -9.559 336 3HB ALA 42 HB3 ALA 42 -13.654 13.279 -8.327 337 H SER 43 HN SER 43 -13.485 10.165 -7.845 338 HA SER 43 HA SER 43 -12.779 9.618 -10.611 339 1HB SER 43 HB2 SER 43 -11.036 9.959 -8.839 340 2HB SER 43 HB1 SER 43 -11.587 8.471 -8.073 341 HG SER 43 HG SER 43 -10.471 8.759 -10.675 342 H ILE 44 HN ILE 44 -14.069 7.930 -7.791 343 HA ILE 44 HA ILE 44 -14.301 5.417 -9.165 344 HB ILE 44 HB ILE 44 -13.864 5.418 -6.786 345 1HG1 ILE 44 HG12 ILE 44 -16.652 4.392 -7.368 346 2HG1 ILE 44 HG11 ILE 44 -15.149 3.522 -7.665 347 1HG2 ILE 44 HG21 ILE 44 -15.515 6.209 -5.157 348 2HG2 ILE 44 HG22 ILE 44 -16.517 6.813 -6.478 349 3HG2 ILE 44 HG23 ILE 44 -14.924 7.513 -6.189 350 1HD1 ILE 44 HD11 ILE 44 -16.257 2.734 -5.651 351 2HD1 ILE 44 HD12 ILE 44 -16.196 4.361 -4.971 352 3HD1 ILE 44 HD13 ILE 44 -14.701 3.474 -5.271 353 H GLY 45 HN GLY 45 -16.219 8.233 -8.900 354 1HA GLY 45 HA2 GLY 45 -18.217 8.711 -9.990 355 2HA GLY 45 HA1 GLY 45 -18.321 7.022 -10.476 356 H ALA 46 HN ALA 46 -17.914 8.276 -7.223 357 HA ALA 46 HA ALA 46 -20.423 6.941 -6.471 358 1HB ALA 46 HB1 ALA 46 -18.410 6.130 -5.334 359 2HB ALA 46 HB2 ALA 46 -19.537 6.879 -4.205 360 3HB ALA 46 HB3 ALA 46 -18.099 7.758 -4.728 361 H THR 47 HN THR 47 -22.102 8.249 -6.251 362 HA THR 47 HA THR 47 -21.733 11.075 -5.799 363 HB THR 47 HB THR 47 -24.265 11.095 -5.890 364 HG1 THR 47 HG1 THR 47 -25.208 9.214 -5.760 365 1HG2 THR 47 HG21 THR 47 -24.344 10.695 -8.309 366 2HG2 THR 47 HG22 THR 47 -22.793 9.858 -8.221 367 3HG2 THR 47 HG23 THR 47 -22.888 11.581 -7.855 368 H THR 48 HN THR 48 -22.139 8.314 -3.908 369 HA THR 48 HA THR 48 -22.344 9.926 -1.521 370 HB THR 48 HB THR 48 -24.715 9.449 -2.095 371 HG1 THR 48 HG1 THR 48 -25.243 8.851 -0.013 372 1HG2 THR 48 HG21 THR 48 -23.931 6.561 -1.674 373 2HG2 THR 48 HG22 THR 48 -24.405 7.289 -3.210 374 3HG2 THR 48 HG23 THR 48 -25.573 7.165 -1.894 375 H LYS 49 HN LYS 49 -22.394 8.251 0.433 376 HA LYS 49 HA LYS 49 -19.859 6.998 0.286 377 1HB LYS 49 HB2 LYS 49 -22.010 6.946 2.401 378 2HB LYS 49 HB1 LYS 49 -20.414 6.237 2.613 379 1HG LYS 49 HG2 LYS 49 -19.358 8.365 2.430 380 2HG LYS 49 HG1 LYS 49 -20.869 9.134 1.938 381 1HD LYS 49 HD2 LYS 49 -21.824 8.780 4.109 382 2HD LYS 49 HD1 LYS 49 -20.445 7.800 4.609 383 1HE LYS 49 HE2 LYS 49 -18.986 9.723 4.484 384 2HE LYS 49 HE1 LYS 49 -20.298 10.717 3.853 385 1HZ LYS 49 HZ1 LYS 49 -21.435 10.578 5.911 386 2HZ LYS 49 HZ2 LYS 49 -19.833 10.985 6.277 387 3HZ LYS 49 HZ3 LYS 49 -20.378 9.398 6.510 388 H GLU 50 HN GLU 50 -23.158 5.774 0.179 389 HA GLU 50 HA GLU 50 -22.603 3.045 0.468 390 1HB GLU 50 HB2 GLU 50 -24.815 4.526 -0.929 391 2HB GLU 50 HB1 GLU 50 -24.737 2.771 -0.959 392 1HG GLU 50 HG2 GLU 50 -26.231 3.607 0.787 393 2HG GLU 50 HG1 GLU 50 -24.884 2.682 1.448 394 H ASP 51 HN ASP 51 -22.680 5.070 -2.438 395 HA ASP 51 HA ASP 51 -22.226 3.051 -4.325 396 1HB ASP 51 HB2 ASP 51 -21.825 6.004 -4.290 397 2HB ASP 51 HB1 ASP 51 -21.054 5.083 -5.577 398 H ALA 52 HN ALA 52 -20.002 4.901 -2.336 399 HA ALA 52 HA ALA 52 -17.631 3.956 -3.583 400 1HB ALA 52 HB1 ALA 52 -18.004 5.044 -0.793 401 2HB ALA 52 HB2 ALA 52 -17.688 6.006 -2.237 402 3HB ALA 52 HB3 ALA 52 -16.472 4.871 -1.648 403 H ALA 53 HN ALA 53 -19.276 3.055 -0.550 404 HA ALA 53 HA ALA 53 -17.453 1.046 0.168 405 1HB ALA 53 HB1 ALA 53 -19.083 0.319 1.783 406 2HB ALA 53 HB2 ALA 53 -20.354 1.226 0.958 407 3HB ALA 53 HB3 ALA 53 -19.025 2.081 1.743 408 H LYS 54 HN LYS 54 -20.559 0.794 -1.594 409 HA LYS 54 HA LYS 54 -20.650 -2.011 -1.633 410 1HB LYS 54 HB2 LYS 54 -22.325 -1.840 -3.314 411 2HB LYS 54 HB1 LYS 54 -22.537 -0.464 -2.241 412 1HG LYS 54 HG2 LYS 54 -21.391 0.968 -3.869 413 2HG LYS 54 HG1 LYS 54 -21.214 -0.417 -4.948 414 1HD LYS 54 HD2 LYS 54 -23.682 -0.642 -4.990 415 2HD LYS 54 HD1 LYS 54 -23.802 0.815 -4.002 416 1HE LYS 54 HE2 LYS 54 -22.609 2.062 -5.782 417 2HE LYS 54 HE1 LYS 54 -22.627 0.605 -6.774 418 1HZ LYS 54 HZ1 LYS 54 -24.434 2.122 -7.342 419 2HZ LYS 54 HZ2 LYS 54 -25.038 2.019 -5.761 420 3HZ LYS 54 HZ3 LYS 54 -25.033 0.650 -6.757 421 H THR 55 HN THR 55 -18.641 0.143 -3.350 422 HA THR 55 HA THR 55 -17.954 -1.863 -5.365 423 HB THR 55 HB THR 55 -16.927 0.971 -5.145 424 HG1 THR 55 HG1 THR 55 -18.965 1.419 -5.620 425 1HG2 THR 55 HG21 THR 55 -15.576 -0.486 -6.560 426 2HG2 THR 55 HG22 THR 55 -16.457 0.680 -7.547 427 3HG2 THR 55 HG23 THR 55 -17.016 -0.990 -7.444 428 H LEU 56 HN LEU 56 -16.528 -0.008 -2.698 429 HA LEU 56 HA LEU 56 -13.885 -1.051 -3.247 430 1HB LEU 56 HB2 LEU 56 -14.872 0.743 -1.037 431 2HB LEU 56 HB1 LEU 56 -13.191 0.332 -1.327 432 HG LEU 56 HG LEU 56 -14.981 1.877 -3.206 433 1HD1 LEU 56 HD11 LEU 56 -13.519 3.759 -2.670 434 2HD1 LEU 56 HD12 LEU 56 -12.646 2.755 -1.513 435 3HD1 LEU 56 HD13 LEU 56 -14.341 3.153 -1.232 436 1HD2 LEU 56 HD21 LEU 56 -12.052 1.190 -3.429 437 2HD2 LEU 56 HD22 LEU 56 -12.968 2.214 -4.535 438 3HD2 LEU 56 HD23 LEU 56 -13.350 0.499 -4.402 439 H GLU 57 HN GLU 57 -16.461 -1.683 -0.943 440 HA GLU 57 HA GLU 57 -14.929 -3.005 0.993 441 1HB GLU 57 HB2 GLU 57 -17.827 -3.390 0.264 442 2HB GLU 57 HB1 GLU 57 -17.060 -4.120 1.670 443 1HG GLU 57 HG2 GLU 57 -16.445 -1.799 2.399 444 2HG GLU 57 HG1 GLU 57 -17.481 -1.199 1.108 445 HA PRO 58 HA PRO 58 -15.855 -7.159 -1.370 446 1HB PRO 58 HB2 PRO 58 -16.307 -6.862 -4.064 447 2HB PRO 58 HB1 PRO 58 -17.578 -7.085 -2.858 448 1HG PRO 58 HG2 PRO 58 -16.606 -4.572 -4.149 449 2HG PRO 58 HG1 PRO 58 -18.264 -5.065 -3.754 450 1HD PRO 58 HD2 PRO 58 -16.890 -3.305 -2.244 451 2HD PRO 58 HD1 PRO 58 -18.052 -4.444 -1.536 452 H LEU 59 HN LEU 59 -14.138 -4.399 -2.513 453 HA LEU 59 HA LEU 59 -12.141 -5.958 -3.922 454 1HB LEU 59 HB2 LEU 59 -12.676 -3.086 -3.485 455 2HB LEU 59 HB1 LEU 59 -10.987 -3.527 -3.635 456 HG LEU 59 HG LEU 59 -11.367 -4.458 -5.836 457 1HD1 LEU 59 HD11 LEU 59 -14.265 -3.755 -5.407 458 2HD1 LEU 59 HD12 LEU 59 -13.585 -5.380 -5.520 459 3HD1 LEU 59 HD13 LEU 59 -13.560 -4.314 -6.925 460 1HD2 LEU 59 HD21 LEU 59 -12.639 -1.743 -5.519 461 2HD2 LEU 59 HD22 LEU 59 -12.038 -2.420 -7.032 462 3HD2 LEU 59 HD23 LEU 59 -10.918 -2.078 -5.713 463 H SER 60 HN SER 60 -12.272 -3.987 -0.968 464 HA SER 60 HA SER 60 -9.680 -4.733 -0.081 465 1HB SER 60 HB2 SER 60 -10.573 -3.795 2.140 466 2HB SER 60 HB1 SER 60 -10.518 -2.693 0.762 467 HG SER 60 HG SER 60 -12.661 -2.736 0.608 468 H ALA 61 HN ALA 61 -12.715 -6.297 -0.012 469 HA ALA 61 HA ALA 61 -12.468 -7.977 2.207 470 1HB ALA 61 HB1 ALA 61 -14.028 -9.457 1.058 471 2HB ALA 61 HB2 ALA 61 -13.740 -8.599 -0.456 472 3HB ALA 61 HB3 ALA 61 -14.520 -7.772 0.892 473 H LYS 62 HN LYS 62 -10.744 -7.944 -0.769 474 HA LYS 62 HA LYS 62 -9.850 -10.663 -0.682 475 1HB LYS 62 HB2 LYS 62 -9.188 -8.246 -2.295 476 2HB LYS 62 HB1 LYS 62 -8.030 -9.569 -2.271 477 1HG LYS 62 HG2 LYS 62 -9.560 -11.069 -3.237 478 2HG LYS 62 HG1 LYS 62 -10.927 -9.996 -2.929 479 1HD LYS 62 HD2 LYS 62 -8.662 -9.157 -4.711 480 2HD LYS 62 HD1 LYS 62 -9.995 -10.135 -5.328 481 1HE LYS 62 HE2 LYS 62 -10.356 -7.508 -3.898 482 2HE LYS 62 HE1 LYS 62 -10.267 -7.671 -5.653 483 1HZ LYS 62 HZ1 LYS 62 -12.564 -7.627 -4.658 484 2HZ LYS 62 HZ2 LYS 62 -12.246 -9.163 -4.021 485 3HZ LYS 62 HZ3 LYS 62 -12.238 -8.922 -5.698 486 H TYR 63 HN TYR 63 -9.171 -8.026 1.218 487 HA TYR 63 HA TYR 63 -6.560 -9.154 1.979 488 1HB TYR 63 HB2 TYR 63 -7.644 -6.354 2.265 489 2HB TYR 63 HB1 TYR 63 -6.215 -6.914 3.126 490 HD1 TYR 63 HD1 TYR 63 -4.274 -7.808 1.737 491 HD2 TYR 63 HD2 TYR 63 -7.463 -5.539 0.074 492 HE1 TYR 63 HE1 TYR 63 -2.871 -7.279 -0.206 493 HE2 TYR 63 HE2 TYR 63 -6.067 -4.998 -1.878 494 HH TYR 63 HH TYR 63 -3.740 -4.889 -2.506 495 H LYS 64 HN LYS 64 -9.376 -9.912 2.716 496 HA LYS 64 HA LYS 64 -9.214 -9.495 5.623 497 1HB LYS 64 HB2 LYS 64 -11.514 -10.490 3.924 498 2HB LYS 64 HB1 LYS 64 -11.560 -10.272 5.667 499 1HG LYS 64 HG2 LYS 64 -11.104 -8.070 3.663 500 2HG LYS 64 HG1 LYS 64 -12.643 -8.437 4.447 501 1HD LYS 64 HD2 LYS 64 -10.118 -7.725 5.928 502 2HD LYS 64 HD1 LYS 64 -11.369 -6.560 5.493 503 1HE LYS 64 HE2 LYS 64 -12.997 -7.778 6.818 504 2HE LYS 64 HE1 LYS 64 -11.794 -9.011 7.197 505 1HZ LYS 64 HZ1 LYS 64 -12.107 -7.376 8.988 506 2HZ LYS 64 HZ2 LYS 64 -11.561 -6.142 7.955 507 3HZ LYS 64 HZ3 LYS 64 -10.517 -7.401 8.404 508 H ASN 65 HN ASN 65 -8.263 -11.672 3.351 509 HA ASN 65 HA ASN 65 -8.705 -13.979 5.120 510 1HB ASN 65 HB2 ASN 65 -9.315 -15.360 3.207 511 2HB ASN 65 HB1 ASN 65 -10.404 -13.984 3.338 512 1HD2 ASN 65 HD21 ASN 65 -9.735 -15.660 1.043 513 2HD2 ASN 65 HD22 ASN 65 -9.153 -14.577 -0.177 514 H ILE 66 HN ILE 66 -6.299 -12.194 4.034 515 HA ILE 66 HA ILE 66 -4.728 -14.347 2.831 516 HB ILE 66 HB ILE 66 -3.834 -11.510 3.345 517 1HG1 ILE 66 HG12 ILE 66 -5.011 -12.710 0.825 518 2HG1 ILE 66 HG11 ILE 66 -5.826 -11.561 1.883 519 1HG2 ILE 66 HG21 ILE 66 -2.022 -13.120 3.001 520 2HG2 ILE 66 HG22 ILE 66 -2.147 -12.003 1.642 521 3HG2 ILE 66 HG23 ILE 66 -2.771 -13.645 1.492 522 1HD1 ILE 66 HD11 ILE 66 -3.303 -11.033 0.330 523 2HD1 ILE 66 HD12 ILE 66 -4.148 -9.881 1.364 524 3HD1 ILE 66 HD13 ILE 66 -4.922 -10.483 -0.102 525 H ALA 67 HN ALA 67 -3.371 -11.884 4.883 526 HA ALA 67 HA ALA 67 -2.419 -13.959 6.747 527 1HB ALA 67 HB1 ALA 67 -0.969 -11.507 5.728 528 2HB ALA 67 HB2 ALA 67 -0.604 -13.183 5.317 529 3HB ALA 67 HB3 ALA 67 -0.357 -12.606 6.965 530 H GLY 68 HN GLY 68 -1.106 -11.812 8.327 531 1HA GLY 68 HA2 GLY 68 -3.333 -10.841 9.854 532 2HA GLY 68 HA1 GLY 68 -1.639 -10.421 10.096 533 H VAL 69 HN VAL 69 -3.973 -10.019 7.460 534 HA VAL 69 HA VAL 69 -2.931 -7.344 6.967 535 HB VAL 69 HB VAL 69 -4.592 -7.572 4.940 536 1HG1 VAL 69 HG11 VAL 69 -2.819 -8.631 3.632 537 2HG1 VAL 69 HG12 VAL 69 -2.043 -9.180 5.118 538 3HG1 VAL 69 HG13 VAL 69 -2.156 -7.453 4.765 539 1HG2 VAL 69 HG21 VAL 69 -5.720 -9.582 5.648 540 2HG2 VAL 69 HG22 VAL 69 -4.186 -10.443 5.759 541 3HG2 VAL 69 HG23 VAL 69 -4.792 -9.918 4.186 542 H GLU 70 HN GLU 70 -3.833 -5.748 7.975 543 HA GLU 70 HA GLU 70 -6.651 -5.867 8.755 544 1HB GLU 70 HB2 GLU 70 -4.489 -3.873 9.482 545 2HB GLU 70 HB1 GLU 70 -6.118 -3.902 10.143 546 1HG GLU 70 HG2 GLU 70 -5.678 -6.065 11.161 547 2HG GLU 70 HG1 GLU 70 -4.057 -6.071 10.475 548 H GLU 71 HN GLU 71 -8.126 -4.231 8.118 549 HA GLU 71 HA GLU 71 -7.130 -2.309 6.157 550 1HB GLU 71 HB2 GLU 71 -9.239 -2.713 4.797 551 2HB GLU 71 HB1 GLU 71 -7.979 -3.928 4.692 552 1HG GLU 71 HG2 GLU 71 -10.090 -5.022 4.793 553 2HG GLU 71 HG1 GLU 71 -9.238 -5.317 6.302 554 H LYS 72 HN LYS 72 -8.308 -0.419 5.951 555 HA LYS 72 HA LYS 72 -10.678 -0.083 7.621 556 1HB LYS 72 HB2 LYS 72 -8.237 1.678 7.831 557 2HB LYS 72 HB1 LYS 72 -9.822 2.141 8.428 558 1HG LYS 72 HG2 LYS 72 -9.655 -0.117 9.740 559 2HG LYS 72 HG1 LYS 72 -7.924 0.097 9.470 560 1HD LYS 72 HD2 LYS 72 -8.530 1.067 11.598 561 2HD LYS 72 HD1 LYS 72 -8.086 2.353 10.473 562 1HE LYS 72 HE2 LYS 72 -10.075 2.971 11.731 563 2HE LYS 72 HE1 LYS 72 -10.459 2.773 10.022 564 1HZ LYS 72 HZ1 LYS 72 -12.155 1.744 11.354 565 2HZ LYS 72 HZ2 LYS 72 -11.008 0.824 12.200 566 3HZ LYS 72 HZ3 LYS 72 -11.288 0.523 10.554 567 H LEU 73 HN LEU 73 -11.995 0.182 5.898 568 HA LEU 73 HA LEU 73 -11.412 2.153 3.865 569 1HB LEU 73 HB2 LEU 73 -13.937 0.631 4.526 570 2HB LEU 73 HB1 LEU 73 -13.789 1.748 3.184 571 HG LEU 73 HG LEU 73 -12.229 -0.815 3.518 572 1HD1 LEU 73 HD11 LEU 73 -13.561 -1.575 1.609 573 2HD1 LEU 73 HD12 LEU 73 -14.478 -0.068 1.655 574 3HD1 LEU 73 HD13 LEU 73 -14.572 -1.200 3.006 575 1HD2 LEU 73 HD21 LEU 73 -12.283 1.177 1.252 576 2HD2 LEU 73 HD22 LEU 73 -11.444 -0.373 1.243 577 3HD2 LEU 73 HD23 LEU 73 -10.936 0.898 2.356 578 H THR 74 HN THR 74 -11.271 4.166 4.641 579 HA THR 74 HA THR 74 -13.361 5.053 6.528 580 HB THR 74 HB THR 74 -11.054 6.785 6.464 581 HG1 THR 74 HG1 THR 74 -10.527 4.122 6.240 582 1HG2 THR 74 HG21 THR 74 -12.680 6.619 8.300 583 2HG2 THR 74 HG22 THR 74 -11.030 6.325 8.853 584 3HG2 THR 74 HG23 THR 74 -12.136 4.970 8.618 585 H TYR 75 HN TYR 75 -14.844 6.211 5.400 586 HA TYR 75 HA TYR 75 -13.796 8.099 3.411 587 1HB TYR 75 HB2 TYR 75 -16.260 7.992 2.534 588 2HB TYR 75 HB1 TYR 75 -15.107 6.744 2.092 589 HD1 TYR 75 HD1 TYR 75 -15.490 4.483 2.653 590 HD2 TYR 75 HD2 TYR 75 -17.963 7.508 4.336 591 HE1 TYR 75 HE1 TYR 75 -17.036 2.757 3.470 592 HE2 TYR 75 HE2 TYR 75 -19.514 5.788 5.158 593 HH TYR 75 HH TYR 75 -20.149 3.481 4.625 594 H THR 76 HN THR 76 -13.883 10.122 3.941 595 HA THR 76 HA THR 76 -15.265 11.083 6.220 596 HB THR 76 HB THR 76 -14.179 12.753 3.953 597 HG1 THR 76 HG1 THR 76 -12.863 11.127 5.753 598 1HG2 THR 76 HG21 THR 76 -13.794 14.413 5.720 599 2HG2 THR 76 HG22 THR 76 -14.496 13.313 6.906 600 3HG2 THR 76 HG23 THR 76 -15.498 13.973 5.614 601 H ASP 77 HN ASP 77 -15.660 11.754 2.788 602 HA ASP 77 HA ASP 77 -18.432 11.571 2.649 603 1HB ASP 77 HB2 ASP 77 -18.412 13.530 4.176 604 2HB ASP 77 HB1 ASP 77 -17.473 14.428 2.988 605 H THR 78 HN THR 78 -15.721 13.583 1.559 606 HA THR 78 HA THR 78 -16.708 13.501 -1.180 607 HB THR 78 HB THR 78 -14.659 15.045 -1.509 608 HG1 THR 78 HG1 THR 78 -13.703 15.798 0.294 609 1HG2 THR 78 HG21 THR 78 -16.972 15.841 -1.519 610 2HG2 THR 78 HG22 THR 78 -15.922 16.983 -0.680 611 3HG2 THR 78 HG23 THR 78 -16.966 15.904 0.244 612 H TYR 79 HN TYR 79 -14.359 11.932 0.780 613 HA TYR 79 HA TYR 79 -13.368 10.523 -1.551 614 1HB TYR 79 HB2 TYR 79 -11.046 10.882 -1.104 615 2HB TYR 79 HB1 TYR 79 -11.817 12.458 -1.188 616 HD1 TYR 79 HD1 TYR 79 -12.271 13.706 0.975 617 HD2 TYR 79 HD2 TYR 79 -9.880 10.189 0.818 618 HE1 TYR 79 HE1 TYR 79 -11.274 14.289 3.149 619 HE2 TYR 79 HE2 TYR 79 -8.887 10.760 2.989 620 HH TYR 79 HH TYR 79 -10.131 13.185 5.025 621 H ALA 80 HN ALA 80 -12.187 8.595 -1.020 622 HA ALA 80 HA ALA 80 -12.897 7.528 1.627 623 1HB ALA 80 HB1 ALA 80 -12.844 6.043 -1.000 624 2HB ALA 80 HB2 ALA 80 -14.293 6.566 -0.140 625 3HB ALA 80 HB3 ALA 80 -13.232 5.355 0.578 626 H GLN 81 HN GLN 81 -11.368 6.497 2.720 627 HA GLN 81 HA GLN 81 -8.676 6.378 1.573 628 1HB GLN 81 HB2 GLN 81 -9.708 6.576 4.398 629 2HB GLN 81 HB1 GLN 81 -8.036 6.170 4.053 630 1HG GLN 81 HG2 GLN 81 -7.733 8.287 2.918 631 2HG GLN 81 HG1 GLN 81 -9.433 8.683 3.165 632 1HE2 GLN 81 HE21 GLN 81 -6.318 8.301 4.682 633 2HE2 GLN 81 HE22 GLN 81 -6.720 9.140 6.145 634 H GLU 82 HN GLU 82 -8.216 4.423 0.803 635 HA GLU 82 HA GLU 82 -9.231 2.041 2.145 636 1HB GLU 82 HB2 GLU 82 -9.263 2.148 -0.326 637 2HB GLU 82 HB1 GLU 82 -7.516 2.325 -0.333 638 1HG GLU 82 HG2 GLU 82 -7.338 0.100 0.744 639 2HG GLU 82 HG1 GLU 82 -9.085 -0.072 0.579 640 H ASN 83 HN ASN 83 -8.052 2.348 4.109 641 HA ASN 83 HA ASN 83 -5.158 2.361 4.016 642 1HB ASN 83 HB2 ASN 83 -6.384 3.597 5.786 643 2HB ASN 83 HB1 ASN 83 -7.018 2.070 6.391 644 1HD2 ASN 83 HD21 ASN 83 -4.267 4.156 6.182 645 2HD2 ASN 83 HD22 ASN 83 -3.271 3.281 7.301 646 H VAL 84 HN VAL 84 -4.195 0.521 3.426 647 HA VAL 84 HA VAL 84 -5.305 -2.001 4.497 648 HB VAL 84 HB VAL 84 -3.564 -1.786 2.044 649 1HG1 VAL 84 HG11 VAL 84 -4.509 -4.000 1.555 650 2HG1 VAL 84 HG12 VAL 84 -5.397 -3.939 3.080 651 3HG1 VAL 84 HG13 VAL 84 -3.633 -3.967 3.087 652 1HG2 VAL 84 HG21 VAL 84 -6.579 -1.811 2.172 653 2HG2 VAL 84 HG22 VAL 84 -5.621 -2.008 0.704 654 3HG2 VAL 84 HG23 VAL 84 -5.563 -0.488 1.597 655 H THR 85 HN THR 85 -4.127 -2.673 6.160 656 HA THR 85 HA THR 85 -1.256 -2.131 6.227 657 HB THR 85 HB THR 85 -3.104 -3.188 8.379 658 HG1 THR 85 HG1 THR 85 -3.348 -0.933 7.758 659 1HG2 THR 85 HG21 THR 85 -1.232 -2.798 9.909 660 2HG2 THR 85 HG22 THR 85 -0.209 -2.340 8.545 661 3HG2 THR 85 HG23 THR 85 -0.813 -3.992 8.680 662 H ILE 86 HN ILE 86 -0.186 -3.625 5.072 663 HA ILE 86 HA ILE 86 -0.991 -6.431 5.228 664 HB ILE 86 HB ILE 86 1.131 -5.139 3.503 665 1HG1 ILE 86 HG12 ILE 86 -1.669 -6.028 2.769 666 2HG1 ILE 86 HG11 ILE 86 -1.177 -4.355 3.012 667 1HG2 ILE 86 HG21 ILE 86 1.040 -7.233 2.218 668 2HG2 ILE 86 HG22 ILE 86 -0.086 -7.898 3.400 669 3HG2 ILE 86 HG23 ILE 86 1.562 -7.500 3.882 670 1HD1 ILE 86 HD11 ILE 86 0.388 -4.560 1.137 671 2HD1 ILE 86 HD12 ILE 86 -1.279 -4.883 0.659 672 3HD1 ILE 86 HD13 ILE 86 -0.152 -6.220 0.886 673 H ASP 87 HN ASP 87 -0.231 -7.298 7.095 674 HA ASP 87 HA ASP 87 2.385 -6.739 8.118 675 1HB ASP 87 HB2 ASP 87 0.578 -7.448 9.620 676 2HB ASP 87 HB1 ASP 87 0.474 -8.995 8.782 677 H MET 88 HN MET 88 4.250 -7.582 7.450 678 HA MET 88 HA MET 88 4.147 -9.812 5.557 679 1HB MET 88 HB2 MET 88 6.251 -7.730 6.095 680 2HB MET 88 HB1 MET 88 6.542 -9.133 5.077 681 1HG MET 88 HG2 MET 88 4.662 -8.408 3.636 682 2HG MET 88 HG1 MET 88 4.532 -6.945 4.616 683 1HE MET 88 HE1 MET 88 4.766 -5.572 2.323 684 2HE MET 88 HE2 MET 88 5.015 -7.047 1.390 685 3HE MET 88 HE3 MET 88 6.152 -5.708 1.241 686 H GLU 89 HN GLU 89 4.175 -9.858 8.649 687 HA GLU 89 HA GLU 89 6.593 -11.482 8.977 688 1HB GLU 89 HB2 GLU 89 4.683 -10.364 11.036 689 2HB GLU 89 HB1 GLU 89 6.063 -11.387 11.414 690 1HG GLU 89 HG2 GLU 89 7.517 -9.669 10.317 691 2HG GLU 89 HG1 GLU 89 6.100 -8.629 10.220 692 H LYS 90 HN LYS 90 3.184 -11.697 8.659 693 HA LYS 90 HA LYS 90 3.452 -14.619 8.900 694 1HB LYS 90 HB2 LYS 90 2.145 -13.513 10.812 695 2HB LYS 90 HB1 LYS 90 0.911 -13.149 9.612 696 1HG LYS 90 HG2 LYS 90 0.773 -15.580 9.106 697 2HG LYS 90 HG1 LYS 90 1.882 -15.875 10.445 698 1HD LYS 90 HD2 LYS 90 0.276 -14.863 11.992 699 2HD LYS 90 HD1 LYS 90 -0.832 -14.565 10.649 700 1HE LYS 90 HE2 LYS 90 -0.899 -16.996 10.212 701 2HE LYS 90 HE1 LYS 90 0.132 -17.256 11.617 702 1HZ LYS 90 HZ1 LYS 90 -2.123 -17.637 12.238 703 2HZ LYS 90 HZ2 LYS 90 -2.624 -16.148 11.606 704 3HZ LYS 90 HZ3 LYS 90 -1.628 -16.192 12.980 705 H VAL 91 HN VAL 91 3.630 -12.769 6.602 706 HA VAL 91 HA VAL 91 1.294 -12.664 5.084 707 HB VAL 91 HB VAL 91 3.045 -12.864 3.084 708 1HG1 VAL 91 HG11 VAL 91 2.549 -10.541 4.914 709 2HG1 VAL 91 HG12 VAL 91 1.770 -10.920 3.377 710 3HG1 VAL 91 HG13 VAL 91 3.453 -10.392 3.406 711 1HG2 VAL 91 HG21 VAL 91 4.924 -13.525 4.451 712 2HG2 VAL 91 HG22 VAL 91 4.730 -12.092 5.462 713 3HG2 VAL 91 HG23 VAL 91 5.213 -11.923 3.773 714 H ASP 92 HN ASP 92 0.261 -13.961 3.744 715 HA ASP 92 HA ASP 92 1.389 -16.625 3.233 716 1HB ASP 92 HB2 ASP 92 -0.780 -16.690 4.389 717 2HB ASP 92 HB1 ASP 92 -1.494 -15.700 3.120 718 H PHE 93 HN PHE 93 2.563 -16.336 1.400 719 HA PHE 93 HA PHE 93 1.654 -14.605 -0.692 720 1HB PHE 93 HB2 PHE 93 3.977 -16.537 -0.631 721 2HB PHE 93 HB1 PHE 93 3.643 -15.413 -1.947 722 HD1 PHE 93 HD1 PHE 93 5.298 -15.881 1.162 723 HD2 PHE 93 HD2 PHE 93 3.574 -12.926 -1.367 724 HE1 PHE 93 HE1 PHE 93 6.624 -14.144 2.293 725 HE2 PHE 93 HE2 PHE 93 4.894 -11.185 -0.241 726 HZ PHE 93 HZ PHE 93 6.424 -11.792 1.590 727 H LYS 94 HN LYS 94 0.743 -17.620 0.223 728 HA LYS 94 HA LYS 94 0.247 -18.832 -2.300 729 1HB LYS 94 HB2 LYS 94 0.161 -20.304 -0.474 730 2HB LYS 94 HB1 LYS 94 -0.843 -19.218 0.476 731 1HG LYS 94 HG2 LYS 94 -2.736 -19.675 -0.998 732 2HG LYS 94 HG1 LYS 94 -1.729 -20.764 -1.953 733 1HD LYS 94 HD2 LYS 94 -3.204 -21.914 -0.305 734 2HD LYS 94 HD1 LYS 94 -1.489 -22.270 -0.111 735 1HE LYS 94 HE2 LYS 94 -2.642 -21.889 2.036 736 2HE LYS 94 HE1 LYS 94 -1.334 -20.746 1.750 737 1HZ LYS 94 HZ1 LYS 94 -4.161 -20.095 1.126 738 2HZ LYS 94 HZ2 LYS 94 -2.845 -19.030 1.303 739 3HZ LYS 94 HZ3 LYS 94 -3.481 -19.824 2.657 740 H ALA 95 HN ALA 95 -1.842 -17.012 -0.046 741 HA ALA 95 HA ALA 95 -3.967 -16.712 -1.920 742 1HB ALA 95 HB1 ALA 95 -4.865 -15.078 -0.337 743 2HB ALA 95 HB2 ALA 95 -3.337 -15.080 0.543 744 3HB ALA 95 HB3 ALA 95 -4.329 -16.538 0.495 745 H LEU 96 HN LEU 96 -1.269 -14.661 -0.899 746 HA LEU 96 HA LEU 96 -1.958 -12.457 -2.542 747 1HB LEU 96 HB2 LEU 96 0.512 -13.274 -1.074 748 2HB LEU 96 HB1 LEU 96 0.581 -11.945 -2.211 749 HG LEU 96 HG LEU 96 -1.278 -12.063 0.164 750 1HD1 LEU 96 HD11 LEU 96 1.312 -10.562 -0.209 751 2HD1 LEU 96 HD12 LEU 96 1.049 -11.926 0.878 752 3HD1 LEU 96 HD13 LEU 96 0.213 -10.400 1.162 753 1HD2 LEU 96 HD21 LEU 96 -2.118 -10.705 -1.681 754 2HD2 LEU 96 HD22 LEU 96 -0.589 -9.828 -1.744 755 3HD2 LEU 96 HD23 LEU 96 -1.628 -9.691 -0.325 756 H GLN 97 HN GLN 97 -0.762 -15.499 -3.369 757 HA GLN 97 HA GLN 97 0.957 -14.906 -5.495 758 1HB GLN 97 HB2 GLN 97 0.581 -17.192 -4.596 759 2HB GLN 97 HB1 GLN 97 -1.019 -17.192 -5.323 760 1HG GLN 97 HG2 GLN 97 -0.008 -16.990 -7.542 761 2HG GLN 97 HG1 GLN 97 1.594 -17.000 -6.806 762 1HE2 GLN 97 HE21 GLN 97 2.389 -18.908 -5.921 763 2HE2 GLN 97 HE22 GLN 97 1.706 -20.447 -6.305 764 H GLY 98 HN GLY 98 -2.569 -15.193 -5.369 765 1HA GLY 98 HA2 GLY 98 -2.736 -14.324 -8.161 766 2HA GLY 98 HA1 GLY 98 -4.060 -14.955 -7.193 767 H ILE 99 HN ILE 99 -3.258 -13.122 -4.939 768 HA ILE 99 HA ILE 99 -4.990 -10.977 -5.813 769 HB ILE 99 HB ILE 99 -3.775 -11.434 -3.077 770 1HG1 ILE 99 HG12 ILE 99 -6.493 -12.223 -4.163 771 2HG1 ILE 99 HG11 ILE 99 -5.166 -13.333 -3.842 772 1HG2 ILE 99 HG21 ILE 99 -4.548 -9.142 -3.392 773 2HG2 ILE 99 HG22 ILE 99 -5.608 -10.006 -2.279 774 3HG2 ILE 99 HG23 ILE 99 -6.115 -9.733 -3.945 775 1HD1 ILE 99 HD11 ILE 99 -5.284 -12.782 -1.467 776 2HD1 ILE 99 HD12 ILE 99 -6.819 -13.404 -2.071 777 3HD1 ILE 99 HD13 ILE 99 -6.618 -11.674 -1.793 778 H SER 100 HN SER 100 -1.643 -11.425 -5.738 779 HA SER 100 HA SER 100 -0.790 -8.871 -4.899 780 1HB SER 100 HB2 SER 100 1.305 -9.482 -6.296 781 2HB SER 100 HB1 SER 100 0.910 -10.466 -4.889 782 HG SER 100 HG SER 100 0.323 -12.095 -6.154 783 H GLY 101 HN GLY 101 -1.845 -7.204 -5.830 784 1HA GLY 101 HA2 GLY 101 -1.898 -6.925 -8.722 785 2HA GLY 101 HA1 GLY 101 -2.558 -5.793 -7.548 786 H ILE 102 HN ILE 102 0.497 -6.686 -6.626 787 HA ILE 102 HA ILE 102 1.642 -4.142 -7.379 788 HB ILE 102 HB ILE 102 3.148 -6.424 -6.107 789 1HG1 ILE 102 HG12 ILE 102 1.387 -4.408 -4.687 790 2HG1 ILE 102 HG11 ILE 102 1.051 -6.127 -4.844 791 1HG2 ILE 102 HG21 ILE 102 3.409 -3.425 -5.915 792 2HG2 ILE 102 HG22 ILE 102 4.464 -4.513 -6.818 793 3HG2 ILE 102 HG23 ILE 102 4.412 -4.594 -5.056 794 1HD1 ILE 102 HD11 ILE 102 3.384 -4.920 -3.375 795 2HD1 ILE 102 HD12 ILE 102 3.030 -6.642 -3.522 796 3HD1 ILE 102 HD13 ILE 102 1.925 -5.586 -2.643 797 H ASN 103 HN ASN 103 1.210 -4.922 -9.721 798 HA ASN 103 HA ASN 103 3.089 -6.921 -10.643 799 1HB ASN 103 HB2 ASN 103 0.758 -6.944 -11.474 800 2HB ASN 103 HB1 ASN 103 1.041 -5.388 -12.251 801 1HD2 ASN 103 HD21 ASN 103 0.671 -6.190 -14.303 802 2HD2 ASN 103 HD22 ASN 103 1.792 -7.236 -15.108 803 H VAL 104 HN VAL 104 4.819 -5.313 -9.926 804 HA VAL 104 HA VAL 104 5.678 -3.723 -12.207 805 HB VAL 104 HB VAL 104 7.249 -4.567 -9.757 806 1HG1 VAL 104 HG11 VAL 104 7.844 -2.505 -11.879 807 2HG1 VAL 104 HG12 VAL 104 8.686 -4.037 -11.641 808 3HG1 VAL 104 HG13 VAL 104 8.796 -2.772 -10.418 809 1HG2 VAL 104 HG21 VAL 104 5.368 -3.156 -9.132 810 2HG2 VAL 104 HG22 VAL 104 5.844 -1.962 -10.338 811 3HG2 VAL 104 HG23 VAL 104 6.887 -2.278 -8.953 812 H SER 105 HN SER 105 6.840 -6.503 -10.400 813 HA SER 105 HA SER 105 6.682 -8.072 -12.839 814 1HB SER 105 HB2 SER 105 8.841 -9.270 -11.930 815 2HB SER 105 HB1 SER 105 9.001 -7.803 -12.896 816 HG SER 105 HG SER 105 9.634 -8.262 -10.268 817 H ALA 106 HN ALA 106 5.009 -9.306 -12.240 818 HA ALA 106 HA ALA 106 4.032 -9.580 -9.682 819 1HB ALA 106 HB1 ALA 106 2.690 -9.984 -11.645 820 2HB ALA 106 HB2 ALA 106 2.614 -11.376 -10.567 821 3HB ALA 106 HB3 ALA 106 3.618 -11.435 -12.016 822 H GLU 107 HN GLU 107 6.342 -11.648 -11.317 823 HA GLU 107 HA GLU 107 6.184 -13.887 -9.636 824 1HB GLU 107 HB2 GLU 107 8.459 -12.811 -11.302 825 2HB GLU 107 HB1 GLU 107 8.525 -14.353 -10.465 826 1HG GLU 107 HG2 GLU 107 7.970 -14.668 -12.799 827 2HG GLU 107 HG1 GLU 107 6.623 -15.154 -11.774 828 H ASP 108 HN ASP 108 7.693 -10.807 -9.201 829 HA ASP 108 HA ASP 108 9.591 -11.453 -7.228 830 1HB ASP 108 HB2 ASP 108 8.205 -8.971 -8.133 831 2HB ASP 108 HB1 ASP 108 9.077 -8.912 -6.612 832 H ALA 109 HN ALA 109 6.201 -10.439 -6.978 833 HA ALA 109 HA ALA 109 6.184 -10.409 -4.122 834 1HB ALA 109 HB1 ALA 109 3.751 -10.226 -4.328 835 2HB ALA 109 HB2 ALA 109 3.880 -10.544 -6.059 836 3HB ALA 109 HB3 ALA 109 4.585 -9.078 -5.376 837 H LYS 110 HN LYS 110 5.462 -12.784 -6.578 838 HA LYS 110 HA LYS 110 4.146 -14.621 -4.830 839 1HB LYS 110 HB2 LYS 110 5.470 -15.257 -7.471 840 2HB LYS 110 HB1 LYS 110 4.165 -16.138 -6.689 841 1HG LYS 110 HG2 LYS 110 2.662 -14.250 -7.040 842 2HG LYS 110 HG1 LYS 110 3.970 -13.341 -7.800 843 1HD LYS 110 HD2 LYS 110 4.131 -15.306 -9.435 844 2HD LYS 110 HD1 LYS 110 2.558 -15.795 -8.803 845 1HE LYS 110 HE2 LYS 110 3.200 -13.121 -10.043 846 2HE LYS 110 HE1 LYS 110 2.363 -14.443 -10.848 847 1HZ LYS 110 HZ1 LYS 110 0.560 -14.253 -9.292 848 2HZ LYS 110 HZ2 LYS 110 0.851 -12.728 -9.979 849 3HZ LYS 110 HZ3 LYS 110 1.380 -13.064 -8.408 850 H LYS 111 HN LYS 111 7.391 -13.828 -5.494 851 HA LYS 111 HA LYS 111 8.475 -16.341 -4.524 852 1HB LYS 111 HB2 LYS 111 9.578 -15.146 -6.375 853 2HB LYS 111 HB1 LYS 111 9.847 -13.765 -5.322 854 1HG LYS 111 HG2 LYS 111 11.260 -15.183 -3.879 855 2HG LYS 111 HG1 LYS 111 11.044 -16.511 -5.022 856 1HD LYS 111 HD2 LYS 111 12.034 -15.107 -6.794 857 2HD LYS 111 HD1 LYS 111 12.308 -13.834 -5.603 858 1HE LYS 111 HE2 LYS 111 13.741 -15.366 -4.324 859 2HE LYS 111 HE1 LYS 111 13.489 -16.608 -5.550 860 1HZ LYS 111 HZ1 LYS 111 15.573 -15.475 -5.915 861 2HZ LYS 111 HZ2 LYS 111 14.793 -13.972 -5.972 862 3HZ LYS 111 HZ3 LYS 111 14.506 -15.120 -7.186 863 H GLY 112 HN GLY 112 8.558 -12.901 -3.579 864 1HA GLY 112 HA2 GLY 112 8.023 -12.953 -0.967 865 2HA GLY 112 HA1 GLY 112 9.653 -13.611 -0.973 866 H ILE 113 HN ILE 113 7.975 -10.871 -0.507 867 HA ILE 113 HA ILE 113 9.671 -9.044 -1.964 868 HB ILE 113 HB ILE 113 7.462 -8.527 0.030 869 1HG1 ILE 113 HG12 ILE 113 6.686 -9.519 -2.072 870 2HG1 ILE 113 HG11 ILE 113 6.178 -7.837 -1.959 871 1HG2 ILE 113 HG21 ILE 113 9.074 -6.700 0.050 872 2HG2 ILE 113 HG22 ILE 113 7.564 -6.193 -0.706 873 3HG2 ILE 113 HG23 ILE 113 8.968 -6.571 -1.705 874 1HD1 ILE 113 HD11 ILE 113 7.990 -7.188 -3.462 875 2HD1 ILE 113 HD12 ILE 113 6.932 -8.389 -4.205 876 3HD1 ILE 113 HD13 ILE 113 8.505 -8.871 -3.569 877 H THR 114 HN THR 114 11.520 -8.304 -1.268 878 HA THR 114 HA THR 114 11.962 -7.940 1.618 879 HB THR 114 HB THR 114 14.424 -8.304 1.092 880 HG1 THR 114 HG1 THR 114 14.320 -9.913 -0.914 881 1HG2 THR 114 HG21 THR 114 13.112 -9.993 2.270 882 2HG2 THR 114 HG22 THR 114 14.255 -10.759 1.166 883 3HG2 THR 114 HG23 THR 114 12.549 -10.648 0.732 884 H MET 115 HN MET 115 14.168 -6.434 1.688 885 HA MET 115 HA MET 115 13.271 -3.917 0.759 886 1HB MET 115 HB2 MET 115 14.699 -4.255 2.770 887 2HB MET 115 HB1 MET 115 16.042 -4.657 1.711 888 1HG MET 115 HG2 MET 115 16.377 -2.427 2.325 889 2HG MET 115 HG1 MET 115 15.747 -2.366 0.683 890 1HE MET 115 HE1 MET 115 12.196 -0.897 1.100 891 2HE MET 115 HE2 MET 115 12.687 -2.558 0.762 892 3HE MET 115 HE3 MET 115 13.530 -1.214 -0.007 893 H ALA 116 HN ALA 116 15.972 -5.997 -0.293 894 HA ALA 116 HA ALA 116 16.960 -4.474 -2.372 895 1HB ALA 116 HB1 ALA 116 17.804 -6.538 -3.331 896 2HB ALA 116 HB2 ALA 116 16.685 -7.477 -2.344 897 3HB ALA 116 HB3 ALA 116 17.983 -6.562 -1.577 898 H GLN 117 HN GLN 117 14.326 -6.846 -2.492 899 HA GLN 117 HA GLN 117 13.621 -6.547 -5.192 900 1HB GLN 117 HB2 GLN 117 12.450 -7.734 -2.808 901 2HB GLN 117 HB1 GLN 117 11.227 -7.004 -3.840 902 1HG GLN 117 HG2 GLN 117 11.472 -9.308 -4.427 903 2HG GLN 117 HG1 GLN 117 12.091 -8.313 -5.740 904 1HE2 GLN 117 HE21 GLN 117 13.794 -9.014 -2.740 905 2HE2 GLN 117 HE22 GLN 117 15.048 -9.961 -3.466 906 H MET 118 HN MET 118 11.900 -5.070 -2.422 907 HA MET 118 HA MET 118 10.246 -3.493 -3.983 908 1HB MET 118 HB2 MET 118 9.907 -3.954 -1.585 909 2HB MET 118 HB1 MET 118 11.229 -2.860 -1.203 910 1HG MET 118 HG2 MET 118 9.983 -1.020 -1.540 911 2HG MET 118 HG1 MET 118 9.095 -1.735 -2.886 912 1HE MET 118 HE1 MET 118 6.381 -3.868 -1.085 913 2HE MET 118 HE2 MET 118 7.948 -4.399 -1.696 914 3HE MET 118 HE3 MET 118 6.976 -3.263 -2.631 915 H GLU 119 HN GLU 119 13.513 -2.729 -2.820 916 HA GLU 119 HA GLU 119 13.581 -0.032 -3.590 917 1HB GLU 119 HB2 GLU 119 15.684 -2.154 -3.310 918 2HB GLU 119 HB1 GLU 119 16.107 -0.580 -3.968 919 1HG GLU 119 HG2 GLU 119 14.684 -0.841 -1.351 920 2HG GLU 119 HG1 GLU 119 16.436 -0.982 -1.467 921 H LEU 120 HN LEU 120 14.903 -2.801 -5.412 922 HA LEU 120 HA LEU 120 15.406 -1.353 -7.776 923 1HB LEU 120 HB2 LEU 120 14.992 -4.296 -7.274 924 2HB LEU 120 HB1 LEU 120 15.522 -3.650 -8.809 925 HG LEU 120 HG LEU 120 17.008 -3.436 -6.190 926 1HD1 LEU 120 HD11 LEU 120 17.587 -5.034 -8.681 927 2HD1 LEU 120 HD12 LEU 120 17.048 -5.682 -7.131 928 3HD1 LEU 120 HD13 LEU 120 18.630 -4.915 -7.264 929 1HD2 LEU 120 HD21 LEU 120 18.809 -2.456 -7.510 930 2HD2 LEU 120 HD22 LEU 120 17.351 -1.467 -7.599 931 3HD2 LEU 120 HD23 LEU 120 17.795 -2.509 -8.952 932 H VAL 121 HN VAL 121 12.658 -3.079 -6.619 933 HA VAL 121 HA VAL 121 11.297 -3.327 -9.104 934 HB VAL 121 HB VAL 121 10.687 -3.943 -6.240 935 1HG1 VAL 121 HG11 VAL 121 8.580 -3.108 -7.098 936 2HG1 VAL 121 HG12 VAL 121 8.534 -4.853 -6.844 937 3HG1 VAL 121 HG13 VAL 121 8.701 -4.202 -8.477 938 1HG2 VAL 121 HG21 VAL 121 10.489 -6.214 -7.113 939 2HG2 VAL 121 HG22 VAL 121 12.049 -5.492 -7.511 940 3HG2 VAL 121 HG23 VAL 121 10.793 -5.611 -8.743 941 H MET 122 HN MET 122 10.804 -1.247 -6.225 942 HA MET 122 HA MET 122 8.538 0.047 -7.375 943 1HB MET 122 HB2 MET 122 10.126 0.347 -4.910 944 2HB MET 122 HB1 MET 122 9.333 1.810 -5.481 945 1HG MET 122 HG2 MET 122 7.987 0.526 -3.861 946 2HG MET 122 HG1 MET 122 7.188 0.752 -5.416 947 1HE MET 122 HE1 MET 122 5.452 -1.105 -5.321 948 2HE MET 122 HE2 MET 122 5.883 -1.313 -3.622 949 3HE MET 122 HE3 MET 122 5.754 -2.720 -4.681 950 H LYS 123 HN LYS 123 11.983 0.758 -7.314 951 HA LYS 123 HA LYS 123 11.721 3.323 -8.529 952 1HB LYS 123 HB2 LYS 123 14.074 1.425 -8.510 953 2HB LYS 123 HB1 LYS 123 14.132 3.107 -9.020 954 1HG LYS 123 HG2 LYS 123 13.449 3.784 -6.746 955 2HG LYS 123 HG1 LYS 123 13.506 2.090 -6.256 956 1HD LYS 123 HD2 LYS 123 15.564 3.111 -5.601 957 2HD LYS 123 HD1 LYS 123 15.901 2.048 -6.971 958 1HE LYS 123 HE2 LYS 123 17.080 4.120 -7.287 959 2HE LYS 123 HE1 LYS 123 15.773 4.020 -8.468 960 1HZ LYS 123 HZ1 LYS 123 15.853 6.211 -7.509 961 2HZ LYS 123 HZ2 LYS 123 15.747 5.581 -5.940 962 3HZ LYS 123 HZ3 LYS 123 14.430 5.439 -6.999 963 H ALA 124 HN ALA 124 11.782 0.053 -9.700 964 HA ALA 124 HA ALA 124 12.250 0.673 -12.445 965 1HB ALA 124 HB1 ALA 124 10.842 -1.759 -11.358 966 2HB ALA 124 HB2 ALA 124 12.594 -1.580 -11.405 967 3HB ALA 124 HB3 ALA 124 11.670 -1.596 -12.907 968 H ALA 125 HN ALA 125 9.484 0.724 -10.372 969 HA ALA 125 HA ALA 125 7.579 0.815 -12.559 970 1HB ALA 125 HB1 ALA 125 7.138 1.271 -9.610 971 2HB ALA 125 HB2 ALA 125 6.996 -0.283 -10.432 972 3HB ALA 125 HB3 ALA 125 5.891 1.034 -10.833 973 H GLY 126 HN GLY 126 9.683 2.977 -11.186 974 1HA GLY 126 HA2 GLY 126 9.914 5.245 -11.557 975 2HA GLY 126 HA1 GLY 126 8.383 5.222 -12.421 976 H PHE 127 HN PHE 127 8.688 3.980 -9.177 977 HA PHE 127 HA PHE 127 6.795 5.950 -8.215 978 1HB PHE 127 HB2 PHE 127 8.134 3.583 -6.893 979 2HB PHE 127 HB1 PHE 127 7.046 4.672 -6.042 980 HD1 PHE 127 HD1 PHE 127 6.980 1.570 -6.869 981 HD2 PHE 127 HD2 PHE 127 4.993 5.106 -8.152 982 HE1 PHE 127 HE1 PHE 127 5.048 0.222 -7.580 983 HE2 PHE 127 HE2 PHE 127 3.060 3.763 -8.868 984 HZ PHE 127 HZ PHE 127 3.085 1.319 -8.582 985 H LYS 128 HN LYS 128 7.168 7.450 -6.625 986 HA LYS 128 HA LYS 128 9.964 8.215 -6.198 987 1HB LYS 128 HB2 LYS 128 8.469 9.932 -7.112 988 2HB LYS 128 HB1 LYS 128 7.378 9.728 -5.751 989 1HG LYS 128 HG2 LYS 128 9.214 10.493 -4.252 990 2HG LYS 128 HG1 LYS 128 10.173 10.846 -5.692 991 1HD LYS 128 HD2 LYS 128 8.433 12.392 -6.463 992 2HD LYS 128 HD1 LYS 128 7.484 12.041 -5.017 993 1HE LYS 128 HE2 LYS 128 9.364 12.888 -3.640 994 2HE LYS 128 HE1 LYS 128 10.207 13.335 -5.122 995 1HZ LYS 128 HZ1 LYS 128 9.077 15.233 -4.204 996 2HZ LYS 128 HZ2 LYS 128 7.596 14.409 -4.190 997 3HZ LYS 128 HZ3 LYS 128 8.331 14.803 -5.667 998 H GLU 129 HN GLU 129 10.884 7.619 -4.325 999 HA GLU 129 HA GLU 129 9.247 6.592 -2.201 1000 1HB GLU 129 HB2 GLU 129 11.413 6.212 -1.012 1001 2HB GLU 129 HB1 GLU 129 11.292 5.430 -2.578 1002 1HG GLU 129 HG2 GLU 129 12.623 8.092 -2.350 1003 2HG GLU 129 HG1 GLU 129 13.481 6.632 -1.863 1004 H VAL 130 HN VAL 130 8.066 8.118 -1.309 1005 HA VAL 130 HA VAL 130 8.971 10.655 -0.435 1006 HB VAL 130 HB VAL 130 6.529 9.019 0.302 1007 1HG1 VAL 130 HG11 VAL 130 7.167 11.884 1.008 1008 2HG1 VAL 130 HG12 VAL 130 7.039 10.531 2.134 1009 3HG1 VAL 130 HG13 VAL 130 5.614 11.084 1.258 1010 1HG2 VAL 130 HG21 VAL 130 5.364 10.622 -1.133 1011 2HG2 VAL 130 HG22 VAL 130 6.603 9.725 -2.010 1012 3HG2 VAL 130 HG23 VAL 130 6.904 11.392 -1.516 1013 H LYS 131 HN LYS 131 10.575 10.763 0.999 1014 HA LYS 131 HA LYS 131 10.844 8.798 3.114 1015 1HB LYS 131 HB2 LYS 131 12.484 11.276 2.541 1016 2HB LYS 131 HB1 LYS 131 12.927 9.961 3.625 1017 1HG LYS 131 HG2 LYS 131 13.129 8.435 1.801 1018 2HG LYS 131 HG1 LYS 131 12.461 9.615 0.674 1019 1HD LYS 131 HD2 LYS 131 14.419 11.086 1.195 1020 2HD LYS 131 HD1 LYS 131 15.106 9.743 2.112 1021 1HE LYS 131 HE2 LYS 131 15.998 9.847 -0.171 1022 2HE LYS 131 HE1 LYS 131 15.106 8.354 0.120 1023 1HZ LYS 131 HZ1 LYS 131 14.554 9.308 -2.029 1024 2HZ LYS 131 HZ2 LYS 131 14.060 10.751 -1.293 1025 3HZ LYS 131 HZ3 LYS 131 13.196 9.322 -1.013 1026 H LEU 132 HN LEU 132 9.717 8.988 4.911 1027 HA LEU 132 HA LEU 132 8.799 11.628 5.747 1028 1HB LEU 132 HB2 LEU 132 7.293 10.308 7.278 1029 2HB LEU 132 HB1 LEU 132 7.000 10.131 5.561 1030 HG LEU 132 HG LEU 132 8.408 7.979 5.735 1031 1HD1 LEU 132 HD11 LEU 132 8.377 6.892 7.921 1032 2HD1 LEU 132 HD12 LEU 132 7.722 8.362 8.645 1033 3HD1 LEU 132 HD13 LEU 132 9.342 8.367 7.948 1034 1HD2 LEU 132 HD21 LEU 132 5.705 8.161 7.057 1035 2HD2 LEU 132 HD22 LEU 132 6.445 6.690 6.424 1036 3HD2 LEU 132 HD23 LEU 132 6.014 8.003 5.327 1037 H GLU 133 HN GLU 133 11.463 9.948 6.284 1038 HA GLU 133 HA GLU 133 11.601 9.929 9.127 1039 1HB GLU 133 HB2 GLU 133 14.194 9.939 8.504 1040 2HB GLU 133 HB1 GLU 133 13.199 8.501 8.371 1041 1HG GLU 133 HG2 GLU 133 14.444 8.547 6.405 1042 2HG GLU 133 HG1 GLU 133 12.861 9.153 5.935 1043 H HIS 134 HN HIS 134 12.800 12.117 6.630 1044 HA HIS 134 HA HIS 134 13.459 14.285 6.666 1045 1HB HIS 134 HB2 HIS 134 10.930 14.292 7.283 1046 2HB HIS 134 HB1 HIS 134 11.492 14.753 8.887 1047 HD1 HIS 134 HD1 HIS 134 11.479 17.198 9.215 1048 HD2 HIS 134 HD2 HIS 134 12.193 16.172 5.249 1049 HE1 HIS 134 HE1 HIS 134 11.687 19.379 7.976 1050 HE2 HIS 134 HE2 HIS 134 11.865 18.718 5.547 1051 H HIS 135 HN HIS 135 15.388 13.147 7.780 1052 HA HIS 135 HA HIS 135 15.919 13.386 10.481 1053 1HB HIS 135 HB2 HIS 135 18.291 13.210 9.924 1054 2HB HIS 135 HB1 HIS 135 17.338 12.086 8.969 1055 HD1 HIS 135 HD1 HIS 135 20.224 13.715 8.475 1056 HD2 HIS 135 HD2 HIS 135 16.623 13.945 6.403 1057 HE1 HIS 135 HE1 HIS 135 20.810 14.575 6.180 1058 HE2 HIS 135 HE2 HIS 135 18.604 14.796 4.976 1059 H HIS 136 HN HIS 136 16.551 14.933 11.820 1060 HA HIS 136 HA HIS 136 15.906 17.593 10.939 1061 1HB HIS 136 HB2 HIS 136 16.584 16.448 13.647 1062 2HB HIS 136 HB1 HIS 136 16.207 18.148 13.382 1063 HD1 HIS 136 HD1 HIS 136 13.805 18.773 13.462 1064 HD2 HIS 136 HD2 HIS 136 14.352 14.689 12.910 1065 HE1 HIS 136 HE1 HIS 136 11.504 17.757 13.570 1066 HE2 HIS 136 HE2 HIS 136 11.848 15.315 13.039 1067 H HIS 137 HN HIS 137 17.134 19.466 11.612 1068 HA HIS 137 HA HIS 137 19.785 19.349 10.620 1069 1HB HIS 137 HB2 HIS 137 19.835 21.800 11.427 1070 2HB HIS 137 HB1 HIS 137 18.718 21.363 10.142 1071 HD1 HIS 137 HD1 HIS 137 16.341 21.990 10.477 1072 HD2 HIS 137 HD2 HIS 137 18.493 22.066 14.039 1073 HE1 HIS 137 HE1 HIS 137 14.777 22.948 12.200 1074 HE2 HIS 137 HE2 HIS 137 16.029 22.788 14.378 1075 H HIS 138 HN HIS 138 20.715 17.810 12.046 1076 HA HIS 138 HA HIS 138 21.224 18.414 14.774 1077 1HB HIS 138 HB2 HIS 138 22.952 16.631 14.623 1078 2HB HIS 138 HB1 HIS 138 21.385 16.116 14.015 1079 HD1 HIS 138 HD1 HIS 138 21.245 15.403 11.580 1080 HD2 HIS 138 HD2 HIS 138 24.963 16.943 12.625 1081 HE1 HIS 138 HE1 HIS 138 22.742 14.940 9.616 1082 HE2 HIS 138 HE2 HIS 138 25.024 15.736 10.334 1083 H HIS 139 HN HIS 139 22.899 19.452 15.722 1084 HA HIS 139 HA HIS 139 25.181 20.345 14.202 1085 1HB HIS 139 HB2 HIS 139 24.813 22.720 14.464 1086 2HB HIS 139 HB1 HIS 139 23.418 22.037 13.637 1087 HD1 HIS 139 HD1 HIS 139 24.399 23.984 16.572 1088 HD2 HIS 139 HD2 HIS 139 21.074 21.804 15.350 1089 HE1 HIS 139 HE1 HIS 139 22.524 24.699 18.088 1090 HE2 HIS 139 HE2 HIS 139 20.501 23.426 17.290 Start of MODEL 9 1 1H MET 1 HT1 MET 1 22.174 4.959 13.016 2 2H MET 1 HT2 MET 1 21.796 6.399 13.830 3 3H MET 1 HT3 MET 1 20.553 5.365 13.324 4 HA MET 1 HA MET 1 21.374 3.645 14.821 5 1HB MET 1 HB2 MET 1 23.256 5.852 15.665 6 2HB MET 1 HB1 MET 1 22.949 4.414 16.630 7 1HG MET 1 HG2 MET 1 24.136 4.493 13.867 8 2HG MET 1 HG1 MET 1 24.993 4.170 15.373 9 1HE MET 1 HE1 MET 1 26.011 1.927 14.380 10 2HE MET 1 HE2 MET 1 25.196 2.255 12.850 11 3HE MET 1 HE3 MET 1 25.038 0.671 13.611 12 H GLY 2 HN GLY 2 20.413 3.473 16.881 13 1HA GLY 2 HA2 GLY 2 18.904 4.217 18.550 14 2HA GLY 2 HA1 GLY 2 18.800 5.775 17.727 15 H ASP 3 HN ASP 3 18.608 4.398 15.166 16 HA ASP 3 HA ASP 3 15.786 3.743 15.102 17 1HB ASP 3 HB2 ASP 3 16.360 3.564 12.573 18 2HB ASP 3 HB1 ASP 3 16.382 5.157 13.324 19 H LYS 4 HN LYS 4 15.024 1.760 14.192 20 HA LYS 4 HA LYS 4 16.953 -0.442 14.082 21 1HB LYS 4 HB2 LYS 4 14.441 -0.483 15.771 22 2HB LYS 4 HB1 LYS 4 15.496 -1.858 15.488 23 1HG LYS 4 HG2 LYS 4 17.328 -0.621 16.608 24 2HG LYS 4 HG1 LYS 4 16.176 0.664 16.979 25 1HD LYS 4 HD2 LYS 4 14.804 -0.926 18.232 26 2HD LYS 4 HD1 LYS 4 15.949 -2.215 17.858 27 1HE LYS 4 HE2 LYS 4 16.466 0.254 19.507 28 2HE LYS 4 HE1 LYS 4 16.353 -1.405 20.091 29 1HZ LYS 4 HZ1 LYS 4 18.485 -0.180 18.447 30 2HZ LYS 4 HZ2 LYS 4 18.300 -1.860 18.551 31 3HZ LYS 4 HZ3 LYS 4 18.626 -0.954 19.948 32 H GLU 5 HN GLU 5 13.593 0.567 13.730 33 HA GLU 5 HA GLU 5 13.330 -1.263 11.446 34 1HB GLU 5 HB2 GLU 5 11.077 -0.320 13.229 35 2HB GLU 5 HB1 GLU 5 11.026 -1.598 12.019 36 1HG GLU 5 HG2 GLU 5 12.614 -2.905 13.365 37 2HG GLU 5 HG1 GLU 5 12.586 -1.643 14.592 38 H GLU 6 HN GLU 6 13.037 -0.254 9.565 39 HA GLU 6 HA GLU 6 12.776 2.659 9.700 40 1HB GLU 6 HB2 GLU 6 13.677 1.035 7.328 41 2HB GLU 6 HB1 GLU 6 13.942 2.745 7.632 42 1HG GLU 6 HG2 GLU 6 15.168 0.465 9.165 43 2HG GLU 6 HG1 GLU 6 15.976 1.457 7.954 44 H SER 7 HN SER 7 11.157 3.733 8.730 45 HA SER 7 HA SER 7 9.105 2.105 7.400 46 1HB SER 7 HB2 SER 7 8.734 4.775 8.771 47 2HB SER 7 HB1 SER 7 7.473 3.666 8.231 48 HG SER 7 HG SER 7 9.112 2.328 9.841 49 H LYS 8 HN LYS 8 8.973 2.367 5.290 50 HA LYS 8 HA LYS 8 9.741 4.964 4.126 51 1HB LYS 8 HB2 LYS 8 9.887 2.166 3.008 52 2HB LYS 8 HB1 LYS 8 10.064 3.590 2.008 53 1HG LYS 8 HG2 LYS 8 11.983 4.268 3.476 54 2HG LYS 8 HG1 LYS 8 11.861 2.675 4.229 55 1HD LYS 8 HD2 LYS 8 13.539 2.583 2.501 56 2HD LYS 8 HD1 LYS 8 12.134 1.652 1.975 57 1HE LYS 8 HE2 LYS 8 11.397 3.848 0.835 58 2HE LYS 8 HE1 LYS 8 13.075 4.341 1.041 59 1HZ LYS 8 HZ1 LYS 8 12.148 1.919 -0.408 60 2HZ LYS 8 HZ2 LYS 8 13.767 2.401 -0.239 61 3HZ LYS 8 HZ3 LYS 8 12.678 3.356 -1.132 62 H LYS 9 HN LYS 9 7.967 6.122 3.665 63 HA LYS 9 HA LYS 9 5.579 4.718 2.675 64 1HB LYS 9 HB2 LYS 9 5.130 6.025 4.673 65 2HB LYS 9 HB1 LYS 9 5.857 7.449 3.941 66 1HG LYS 9 HG2 LYS 9 4.058 7.303 2.171 67 2HG LYS 9 HG1 LYS 9 3.277 6.097 3.195 68 1HD LYS 9 HD2 LYS 9 4.029 8.826 4.211 69 2HD LYS 9 HD1 LYS 9 2.484 8.511 3.423 70 1HE LYS 9 HE2 LYS 9 3.485 7.021 5.846 71 2HE LYS 9 HE1 LYS 9 2.418 8.422 5.919 72 1HZ LYS 9 HZ1 LYS 9 1.068 6.496 6.039 73 2HZ LYS 9 HZ2 LYS 9 1.840 5.773 4.719 74 3HZ LYS 9 HZ3 LYS 9 0.854 7.124 4.483 75 H PHE 10 HN PHE 10 5.976 4.593 0.467 76 HA PHE 10 HA PHE 10 6.567 7.118 -0.884 77 1HB PHE 10 HB2 PHE 10 7.147 5.912 -2.799 78 2HB PHE 10 HB1 PHE 10 7.698 4.867 -1.500 79 HD1 PHE 10 HD1 PHE 10 5.102 5.357 -4.060 80 HD2 PHE 10 HD2 PHE 10 6.778 2.695 -1.196 81 HE1 PHE 10 HE1 PHE 10 3.805 3.513 -5.028 82 HE2 PHE 10 HE2 PHE 10 5.476 0.842 -2.162 83 HZ PHE 10 HZ PHE 10 3.983 1.253 -4.081 84 H SER 11 HN SER 11 5.120 8.097 -2.314 85 HA SER 11 HA SER 11 2.496 6.861 -2.575 86 1HB SER 11 HB2 SER 11 2.351 8.208 -0.518 87 2HB SER 11 HB1 SER 11 2.851 9.634 -1.412 88 HG SER 11 HG SER 11 0.617 8.137 -2.234 89 H ALA 12 HN ALA 12 1.861 6.998 -4.587 90 HA ALA 12 HA ALA 12 2.705 9.324 -6.180 91 1HB ALA 12 HB1 ALA 12 2.526 6.461 -7.113 92 2HB ALA 12 HB2 ALA 12 4.000 7.396 -6.880 93 3HB ALA 12 HB3 ALA 12 2.857 7.852 -8.144 94 H ASN 13 HN ASN 13 1.091 10.433 -7.004 95 HA ASN 13 HA ASN 13 -1.628 9.553 -6.754 96 1HB ASN 13 HB2 ASN 13 -1.130 11.892 -6.411 97 2HB ASN 13 HB1 ASN 13 -0.365 12.013 -7.990 98 1HD2 ASN 13 HD21 ASN 13 -3.348 11.984 -6.242 99 2HD2 ASN 13 HD22 ASN 13 -4.371 12.399 -7.574 100 H LEU 14 HN LEU 14 -2.246 7.930 -8.109 101 HA LEU 14 HA LEU 14 -1.471 7.954 -10.898 102 1HB LEU 14 HB2 LEU 14 -3.512 6.212 -9.515 103 2HB LEU 14 HB1 LEU 14 -2.814 5.941 -11.098 104 HG LEU 14 HG LEU 14 -1.394 5.736 -8.442 105 1HD1 LEU 14 HD11 LEU 14 -2.851 3.862 -8.962 106 2HD1 LEU 14 HD12 LEU 14 -1.157 3.387 -9.061 107 3HD1 LEU 14 HD13 LEU 14 -2.077 3.680 -10.536 108 1HD2 LEU 14 HD21 LEU 14 -0.283 5.365 -11.225 109 2HD2 LEU 14 HD22 LEU 14 0.564 5.015 -9.717 110 3HD2 LEU 14 HD23 LEU 14 0.119 6.675 -10.113 111 H ASN 15 HN ASN 15 -4.025 7.000 -11.899 112 HA ASN 15 HA ASN 15 -5.068 9.423 -12.811 113 1HB ASN 15 HB2 ASN 15 -5.361 7.483 -14.167 114 2HB ASN 15 HB1 ASN 15 -6.208 6.639 -12.875 115 1HD2 ASN 15 HD21 ASN 15 -8.365 6.955 -12.595 116 2HD2 ASN 15 HD22 ASN 15 -9.338 7.935 -13.647 117 H GLY 16 HN GLY 16 -6.581 7.115 -10.618 118 1HA GLY 16 HA2 GLY 16 -8.053 9.375 -9.422 119 2HA GLY 16 HA1 GLY 16 -8.918 7.934 -9.930 120 H THR 17 HN THR 17 -5.898 7.093 -8.809 121 HA THR 17 HA THR 17 -6.815 6.803 -6.043 122 HB THR 17 HB THR 17 -5.595 4.557 -7.662 123 HG1 THR 17 HG1 THR 17 -8.159 5.403 -7.380 124 1HG2 THR 17 HG21 THR 17 -5.003 4.482 -5.283 125 2HG2 THR 17 HG22 THR 17 -6.111 3.177 -5.704 126 3HG2 THR 17 HG23 THR 17 -6.710 4.601 -4.853 127 H GLU 18 HN GLU 18 -5.345 7.745 -4.791 128 HA GLU 18 HA GLU 18 -2.562 7.921 -5.628 129 1HB GLU 18 HB2 GLU 18 -3.710 8.801 -2.982 130 2HB GLU 18 HB1 GLU 18 -2.225 9.346 -3.750 131 1HG GLU 18 HG2 GLU 18 -3.645 10.328 -5.565 132 2HG GLU 18 HG1 GLU 18 -5.049 9.956 -4.560 133 H ILE 19 HN ILE 19 -1.171 6.336 -5.178 134 HA ILE 19 HA ILE 19 -1.905 4.454 -3.055 135 HB ILE 19 HB ILE 19 0.072 4.121 -5.318 136 1HG1 ILE 19 HG12 ILE 19 -2.684 2.955 -4.857 137 2HG1 ILE 19 HG11 ILE 19 -2.276 4.190 -6.043 138 1HG2 ILE 19 HG21 ILE 19 0.151 1.771 -4.640 139 2HG2 ILE 19 HG22 ILE 19 -0.879 2.138 -3.255 140 3HG2 ILE 19 HG23 ILE 19 0.737 2.836 -3.362 141 1HD1 ILE 19 HD11 ILE 19 -2.525 1.974 -7.035 142 2HD1 ILE 19 HD12 ILE 19 -1.204 1.383 -6.024 143 3HD1 ILE 19 HD13 ILE 19 -0.898 2.619 -7.245 144 H ALA 20 HN ALA 20 -1.077 5.024 -1.167 145 HA ALA 20 HA ALA 20 1.780 5.740 -1.080 146 1HB ALA 20 HB1 ALA 20 1.149 6.606 1.263 147 2HB ALA 20 HB2 ALA 20 -0.511 6.547 0.677 148 3HB ALA 20 HB3 ALA 20 0.669 7.558 -0.138 149 H ILE 21 HN ILE 21 2.938 4.014 -0.619 150 HA ILE 21 HA ILE 21 1.811 2.023 1.228 151 HB ILE 21 HB ILE 21 3.969 1.656 -0.856 152 1HG1 ILE 21 HG12 ILE 21 1.112 0.663 -0.704 153 2HG1 ILE 21 HG11 ILE 21 1.739 1.860 -1.832 154 1HG2 ILE 21 HG21 ILE 21 2.733 -0.344 1.038 155 2HG2 ILE 21 HG22 ILE 21 4.388 0.264 1.094 156 3HG2 ILE 21 HG23 ILE 21 3.858 -0.726 -0.266 157 1HD1 ILE 21 HD11 ILE 21 1.447 -0.292 -2.904 158 2HD1 ILE 21 HD12 ILE 21 2.518 -1.044 -1.722 159 3HD1 ILE 21 HD13 ILE 21 3.153 0.153 -2.852 160 H THR 22 HN THR 22 2.492 2.328 3.176 161 HA THR 22 HA THR 22 5.199 3.255 3.746 162 HB THR 22 HB THR 22 3.105 2.540 5.790 163 HG1 THR 22 HG1 THR 22 1.921 3.999 4.741 164 1HG2 THR 22 HG21 THR 22 5.355 3.036 6.605 165 2HG2 THR 22 HG22 THR 22 4.227 4.302 7.089 166 3HG2 THR 22 HG23 THR 22 5.339 4.576 5.748 167 H TYR 23 HN TYR 23 6.523 1.462 3.346 168 HA TYR 23 HA TYR 23 5.786 -0.968 4.806 169 1HB TYR 23 HB2 TYR 23 7.470 -2.145 3.389 170 2HB TYR 23 HB1 TYR 23 6.098 -1.493 2.510 171 HD1 TYR 23 HD1 TYR 23 6.393 0.355 0.945 172 HD2 TYR 23 HD2 TYR 23 9.705 -1.290 3.050 173 HE1 TYR 23 HE1 TYR 23 7.930 1.428 -0.645 174 HE2 TYR 23 HE2 TYR 23 11.249 -0.210 1.472 175 HH TYR 23 HH TYR 23 10.179 2.126 -0.863 176 H VAL 24 HN VAL 24 6.937 -1.769 6.360 177 HA VAL 24 HA VAL 24 9.219 -0.199 7.334 178 HB VAL 24 HB VAL 24 7.275 -1.993 8.794 179 1HG1 VAL 24 HG11 VAL 24 9.511 -2.230 9.755 180 2HG1 VAL 24 HG12 VAL 24 8.404 -1.398 10.849 181 3HG1 VAL 24 HG13 VAL 24 9.608 -0.479 9.943 182 1HG2 VAL 24 HG21 VAL 24 7.783 0.967 8.972 183 2HG2 VAL 24 HG22 VAL 24 6.633 0.058 9.952 184 3HG2 VAL 24 HG23 VAL 24 6.390 0.197 8.211 185 H TYR 25 HN TYR 25 11.114 -1.082 6.936 186 HA TYR 25 HA TYR 25 11.262 -4.012 6.695 187 1HB TYR 25 HB2 TYR 25 13.049 -3.737 5.096 188 2HB TYR 25 HB1 TYR 25 11.683 -2.757 4.582 189 HD1 TYR 25 HD1 TYR 25 15.132 -2.762 5.687 190 HD2 TYR 25 HD2 TYR 25 11.801 -0.258 4.765 191 HE1 TYR 25 HE1 TYR 25 16.633 -0.824 5.546 192 HE2 TYR 25 HE2 TYR 25 13.303 1.679 4.634 193 HH TYR 25 HH TYR 25 15.568 2.332 5.567 194 H LYS 26 HN LYS 26 13.183 -5.036 7.420 195 HA LYS 26 HA LYS 26 14.763 -3.502 9.366 196 1HB LYS 26 HB2 LYS 26 12.787 -5.067 10.219 197 2HB LYS 26 HB1 LYS 26 13.991 -6.322 9.978 198 1HG LYS 26 HG2 LYS 26 15.428 -5.391 11.598 199 2HG LYS 26 HG1 LYS 26 14.512 -3.880 11.649 200 1HD LYS 26 HD2 LYS 26 12.546 -5.230 12.456 201 2HD LYS 26 HD1 LYS 26 13.649 -6.595 12.630 202 1HE LYS 26 HE2 LYS 26 14.890 -5.507 14.310 203 2HE LYS 26 HE1 LYS 26 14.153 -3.944 13.949 204 1HZ LYS 26 HZ1 LYS 26 12.017 -4.846 14.721 205 2HZ LYS 26 HZ2 LYS 26 13.192 -4.853 15.943 206 3HZ LYS 26 HZ3 LYS 26 12.785 -6.297 15.154 207 H GLY 27 HN GLY 27 16.524 -3.467 7.991 208 1HA GLY 27 HA2 GLY 27 18.525 -4.328 7.178 209 2HA GLY 27 HA1 GLY 27 17.994 -5.937 7.663 210 H ASP 28 HN ASP 28 17.685 -7.278 6.017 211 HA ASP 28 HA ASP 28 16.931 -6.171 3.409 212 1HB ASP 28 HB2 ASP 28 18.334 -8.630 4.295 213 2HB ASP 28 HB1 ASP 28 17.319 -8.774 2.864 214 H LYS 29 HN LYS 29 15.557 -7.601 6.098 215 HA LYS 29 HA LYS 29 13.438 -8.956 4.612 216 1HB LYS 29 HB2 LYS 29 14.671 -9.688 6.893 217 2HB LYS 29 HB1 LYS 29 13.367 -8.742 7.579 218 1HG LYS 29 HG2 LYS 29 13.080 -11.148 5.791 219 2HG LYS 29 HG1 LYS 29 12.758 -11.073 7.522 220 1HD LYS 29 HD2 LYS 29 11.048 -9.266 6.949 221 2HD LYS 29 HD1 LYS 29 11.231 -9.790 5.275 222 1HE LYS 29 HE2 LYS 29 10.401 -11.542 7.585 223 2HE LYS 29 HE1 LYS 29 9.316 -10.856 6.378 224 1HZ LYS 29 HZ1 LYS 29 10.431 -12.127 4.673 225 2HZ LYS 29 HZ2 LYS 29 9.888 -13.161 5.907 226 3HZ LYS 29 HZ3 LYS 29 11.531 -12.752 5.807 227 H VAL 30 HN VAL 30 11.864 -7.616 3.899 228 HA VAL 30 HA VAL 30 11.007 -5.328 5.443 229 HB VAL 30 HB VAL 30 9.499 -6.587 3.143 230 1HG1 VAL 30 HG11 VAL 30 8.647 -4.328 2.805 231 2HG1 VAL 30 HG12 VAL 30 9.628 -3.743 4.149 232 3HG1 VAL 30 HG13 VAL 30 8.312 -4.879 4.447 233 1HG2 VAL 30 HG21 VAL 30 10.711 -5.068 1.642 234 2HG2 VAL 30 HG22 VAL 30 11.790 -6.235 2.406 235 3HG2 VAL 30 HG23 VAL 30 11.738 -4.571 2.987 236 H LEU 31 HN LEU 31 9.602 -5.443 7.106 237 HA LEU 31 HA LEU 31 8.482 -8.101 7.644 238 1HB LEU 31 HB2 LEU 31 9.111 -5.797 9.482 239 2HB LEU 31 HB1 LEU 31 8.348 -7.288 10.002 240 HG LEU 31 HG LEU 31 11.102 -7.105 8.777 241 1HD1 LEU 31 HD11 LEU 31 10.281 -7.518 11.646 242 2HD1 LEU 31 HD12 LEU 31 11.016 -6.058 10.983 243 3HD1 LEU 31 HD13 LEU 31 11.927 -7.569 11.011 244 1HD2 LEU 31 HD21 LEU 31 10.003 -9.229 8.357 245 2HD2 LEU 31 HD22 LEU 31 9.633 -9.391 10.074 246 3HD2 LEU 31 HD23 LEU 31 11.309 -9.420 9.526 247 H LYS 32 HN LYS 32 7.496 -4.962 6.793 248 HA LYS 32 HA LYS 32 4.724 -5.608 7.331 249 1HB LYS 32 HB2 LYS 32 5.802 -4.576 9.423 250 2HB LYS 32 HB1 LYS 32 5.874 -3.090 8.497 251 1HG LYS 32 HG2 LYS 32 3.443 -3.118 8.256 252 2HG LYS 32 HG1 LYS 32 3.383 -4.606 9.213 253 1HD LYS 32 HD2 LYS 32 4.395 -3.442 11.104 254 2HD LYS 32 HD1 LYS 32 4.495 -1.960 10.154 255 1HE LYS 32 HE2 LYS 32 2.605 -1.843 11.629 256 2HE LYS 32 HE1 LYS 32 2.040 -1.957 9.964 257 1HZ LYS 32 HZ1 LYS 32 1.625 -4.323 10.306 258 2HZ LYS 32 HZ2 LYS 32 0.756 -3.393 11.426 259 3HZ LYS 32 HZ3 LYS 32 2.165 -4.206 11.909 260 H GLN 33 HN GLN 33 3.354 -4.563 5.968 261 HA GLN 33 HA GLN 33 4.413 -2.346 4.346 262 1HB GLN 33 HB2 GLN 33 4.466 -4.363 2.983 263 2HB GLN 33 HB1 GLN 33 2.805 -4.737 3.412 264 1HG GLN 33 HG2 GLN 33 2.048 -2.754 2.205 265 2HG GLN 33 HG1 GLN 33 3.717 -2.374 1.784 266 1HE2 GLN 33 HE21 GLN 33 1.387 -2.985 0.075 267 2HE2 GLN 33 HE22 GLN 33 1.878 -4.322 -0.905 268 H SER 34 HN SER 34 2.877 -0.741 3.844 269 HA SER 34 HA SER 34 0.118 -1.227 4.668 270 1HB SER 34 HB2 SER 34 1.715 1.217 5.480 271 2HB SER 34 HB1 SER 34 -0.007 0.972 5.780 272 HG SER 34 HG SER 34 1.482 -1.134 6.639 273 H SER 35 HN SER 35 -0.750 -1.196 2.697 274 HA SER 35 HA SER 35 0.038 0.891 0.804 275 1HB SER 35 HB2 SER 35 -1.629 -1.605 0.391 276 2HB SER 35 HB1 SER 35 -1.107 -0.492 -0.875 277 HG SER 35 HG SER 35 1.073 -0.996 -0.226 278 H GLU 36 HN GLU 36 -1.026 2.649 1.364 279 HA GLU 36 HA GLU 36 -3.883 2.516 2.002 280 1HB GLU 36 HB2 GLU 36 -1.955 4.817 2.241 281 2HB GLU 36 HB1 GLU 36 -3.548 4.708 2.968 282 1HG GLU 36 HG2 GLU 36 -2.844 3.229 4.591 283 2HG GLU 36 HG1 GLU 36 -1.455 2.692 3.648 284 H THR 37 HN THR 37 -5.205 2.817 0.316 285 HA THR 37 HA THR 37 -4.215 4.367 -1.977 286 HB THR 37 HB THR 37 -6.117 3.260 -3.210 287 HG1 THR 37 HG1 THR 37 -6.309 1.159 -1.495 288 1HG2 THR 37 HG21 THR 37 -4.048 1.440 -1.978 289 2HG2 THR 37 HG22 THR 37 -3.818 2.453 -3.404 290 3HG2 THR 37 HG23 THR 37 -4.965 1.114 -3.450 291 H LYS 38 HN LYS 38 -4.978 6.351 -2.257 292 HA LYS 38 HA LYS 38 -7.490 7.140 -0.993 293 1HB LYS 38 HB2 LYS 38 -5.540 8.634 -0.737 294 2HB LYS 38 HB1 LYS 38 -5.456 8.813 -2.486 295 1HG LYS 38 HG2 LYS 38 -7.731 9.794 -2.443 296 2HG LYS 38 HG1 LYS 38 -7.692 9.714 -0.685 297 1HD LYS 38 HD2 LYS 38 -5.697 11.235 -2.358 298 2HD LYS 38 HD1 LYS 38 -7.137 11.952 -1.642 299 1HE LYS 38 HE2 LYS 38 -5.500 12.476 -0.097 300 2HE LYS 38 HE1 LYS 38 -6.205 11.012 0.584 301 1HZ LYS 38 HZ1 LYS 38 -3.735 11.076 0.596 302 2HZ LYS 38 HZ2 LYS 38 -3.758 11.038 -1.102 303 3HZ LYS 38 HZ3 LYS 38 -4.377 9.736 -0.216 304 H ILE 39 HN ILE 39 -9.157 6.380 -2.205 305 HA ILE 39 HA ILE 39 -9.014 6.678 -5.119 306 HB ILE 39 HB ILE 39 -11.156 5.268 -3.511 307 1HG1 ILE 39 HG12 ILE 39 -9.882 3.242 -4.714 308 2HG1 ILE 39 HG11 ILE 39 -8.519 4.342 -4.538 309 1HG2 ILE 39 HG21 ILE 39 -10.505 5.211 -6.454 310 2HG2 ILE 39 HG22 ILE 39 -11.906 5.976 -5.703 311 3HG2 ILE 39 HG23 ILE 39 -11.728 4.222 -5.656 312 1HD1 ILE 39 HD11 ILE 39 -10.280 3.355 -2.308 313 2HD1 ILE 39 HD12 ILE 39 -8.900 4.441 -2.138 314 3HD1 ILE 39 HD13 ILE 39 -8.655 2.782 -2.682 315 H GLN 40 HN GLN 40 -9.837 8.442 -5.997 316 HA GLN 40 HA GLN 40 -11.586 10.207 -4.578 317 1HB GLN 40 HB2 GLN 40 -10.751 10.166 -7.484 318 2HB GLN 40 HB1 GLN 40 -11.675 11.457 -6.733 319 1HG GLN 40 HG2 GLN 40 -8.870 10.627 -6.030 320 2HG GLN 40 HG1 GLN 40 -9.348 12.068 -6.926 321 1HE2 GLN 40 HE21 GLN 40 -7.822 11.924 -4.511 322 2HE2 GLN 40 HE22 GLN 40 -8.704 12.791 -3.298 323 H PHE 41 HN PHE 41 -13.763 10.600 -4.896 324 HA PHE 41 HA PHE 41 -15.382 8.422 -5.617 325 1HB PHE 41 HB2 PHE 41 -15.938 11.307 -5.040 326 2HB PHE 41 HB1 PHE 41 -17.226 10.270 -5.638 327 HD1 PHE 41 HD1 PHE 41 -14.879 8.452 -3.686 328 HD2 PHE 41 HD2 PHE 41 -18.255 11.026 -3.414 329 HE1 PHE 41 HE1 PHE 41 -15.299 7.652 -1.399 330 HE2 PHE 41 HE2 PHE 41 -18.680 10.231 -1.127 331 HZ PHE 41 HZ PHE 41 -17.203 8.543 -0.116 332 H ALA 42 HN ALA 42 -14.071 10.996 -7.513 333 HA ALA 42 HA ALA 42 -15.888 10.817 -9.693 334 1HB ALA 42 HB1 ALA 42 -13.056 11.853 -9.653 335 2HB ALA 42 HB2 ALA 42 -14.504 12.796 -9.299 336 3HB ALA 42 HB3 ALA 42 -14.252 12.140 -10.917 337 H SER 43 HN SER 43 -13.179 8.924 -8.693 338 HA SER 43 HA SER 43 -12.710 7.838 -11.346 339 1HB SER 43 HB2 SER 43 -10.833 8.307 -9.750 340 2HB SER 43 HB1 SER 43 -11.453 7.020 -8.716 341 HG SER 43 HG SER 43 -11.284 5.859 -10.977 342 H ILE 44 HN ILE 44 -14.479 7.094 -8.493 343 HA ILE 44 HA ILE 44 -14.909 4.328 -9.340 344 HB ILE 44 HB ILE 44 -14.405 4.458 -7.031 345 1HG1 ILE 44 HG12 ILE 44 -17.401 4.185 -7.346 346 2HG1 ILE 44 HG11 ILE 44 -16.207 2.899 -7.489 347 1HG2 ILE 44 HG21 ILE 44 -15.608 5.878 -5.442 348 2HG2 ILE 44 HG22 ILE 44 -16.520 6.586 -6.776 349 3HG2 ILE 44 HG23 ILE 44 -14.775 6.819 -6.679 350 1HD1 ILE 44 HD11 ILE 44 -17.437 2.885 -5.350 351 2HD1 ILE 44 HD12 ILE 44 -16.735 4.458 -4.971 352 3HD1 ILE 44 HD13 ILE 44 -15.693 3.045 -5.153 353 H GLY 45 HN GLY 45 -16.482 7.415 -9.179 354 1HA GLY 45 HA2 GLY 45 -18.420 8.031 -10.339 355 2HA GLY 45 HA1 GLY 45 -18.793 6.327 -10.579 356 H ALA 46 HN ALA 46 -17.943 7.724 -7.504 357 HA ALA 46 HA ALA 46 -20.480 6.772 -6.425 358 1HB ALA 46 HB1 ALA 46 -19.424 7.002 -4.242 359 2HB ALA 46 HB2 ALA 46 -18.006 7.734 -4.993 360 3HB ALA 46 HB3 ALA 46 -18.412 6.052 -5.330 361 H THR 47 HN THR 47 -22.066 8.084 -5.806 362 HA THR 47 HA THR 47 -21.740 10.948 -6.062 363 HB THR 47 HB THR 47 -24.158 11.016 -5.459 364 HG1 THR 47 HG1 THR 47 -24.006 8.159 -5.511 365 1HG2 THR 47 HG21 THR 47 -24.977 9.902 -7.487 366 2HG2 THR 47 HG22 THR 47 -23.447 9.037 -7.628 367 3HG2 THR 47 HG23 THR 47 -23.485 10.791 -7.802 368 H THR 48 HN THR 48 -21.884 8.550 -3.584 369 HA THR 48 HA THR 48 -21.127 10.441 -1.551 370 HB THR 48 HB THR 48 -23.614 10.611 -1.559 371 HG1 THR 48 HG1 THR 48 -23.812 10.435 0.649 372 1HG2 THR 48 HG21 THR 48 -24.948 8.704 -0.772 373 2HG2 THR 48 HG22 THR 48 -23.509 7.687 -0.814 374 3HG2 THR 48 HG23 THR 48 -24.156 8.361 -2.310 375 H LYS 49 HN LYS 49 -21.362 8.929 0.674 376 HA LYS 49 HA LYS 49 -19.255 7.088 0.341 377 1HB LYS 49 HB2 LYS 49 -19.577 6.548 2.704 378 2HB LYS 49 HB1 LYS 49 -19.603 8.284 2.436 379 1HG LYS 49 HG2 LYS 49 -22.045 8.269 2.569 380 2HG LYS 49 HG1 LYS 49 -22.015 6.525 2.843 381 1HD LYS 49 HD2 LYS 49 -20.665 6.907 4.879 382 2HD LYS 49 HD1 LYS 49 -20.805 8.646 4.617 383 1HE LYS 49 HE2 LYS 49 -23.114 6.752 5.045 384 2HE LYS 49 HE1 LYS 49 -22.419 7.803 6.276 385 1HZ LYS 49 HZ1 LYS 49 -24.369 8.818 5.373 386 2HZ LYS 49 HZ2 LYS 49 -23.796 8.660 3.784 387 3HZ LYS 49 HZ3 LYS 49 -23.023 9.713 4.867 388 H GLU 50 HN GLU 50 -22.686 6.704 0.131 389 HA GLU 50 HA GLU 50 -22.921 3.972 0.692 390 1HB GLU 50 HB2 GLU 50 -24.853 5.520 0.357 391 2HB GLU 50 HB1 GLU 50 -24.511 5.513 -1.370 392 1HG GLU 50 HG2 GLU 50 -24.808 3.032 -1.331 393 2HG GLU 50 HG1 GLU 50 -25.355 3.184 0.335 394 H ASP 51 HN ASP 51 -22.587 5.553 -2.493 395 HA ASP 51 HA ASP 51 -22.298 3.203 -3.990 396 1HB ASP 51 HB2 ASP 51 -21.192 5.962 -4.561 397 2HB ASP 51 HB1 ASP 51 -21.241 4.645 -5.723 398 H ALA 52 HN ALA 52 -19.966 5.194 -2.289 399 HA ALA 52 HA ALA 52 -17.603 4.007 -3.202 400 1HB ALA 52 HB1 ALA 52 -18.146 5.159 -0.464 401 2HB ALA 52 HB2 ALA 52 -17.671 6.086 -1.888 402 3HB ALA 52 HB3 ALA 52 -16.562 4.902 -1.196 403 H ALA 53 HN ALA 53 -19.595 3.243 -0.351 404 HA ALA 53 HA ALA 53 -18.103 1.010 0.480 405 1HB ALA 53 HB1 ALA 53 -19.732 2.133 1.920 406 2HB ALA 53 HB2 ALA 53 -20.063 0.404 1.797 407 3HB ALA 53 HB3 ALA 53 -21.040 1.556 0.888 408 H LYS 54 HN LYS 54 -21.095 1.183 -1.442 409 HA LYS 54 HA LYS 54 -21.558 -1.493 -1.857 410 1HB LYS 54 HB2 LYS 54 -22.051 0.882 -3.640 411 2HB LYS 54 HB1 LYS 54 -22.614 -0.733 -4.053 412 1HG LYS 54 HG2 LYS 54 -24.251 -0.710 -2.504 413 2HG LYS 54 HG1 LYS 54 -23.297 0.226 -1.352 414 1HD LYS 54 HD2 LYS 54 -25.179 1.538 -2.104 415 2HD LYS 54 HD1 LYS 54 -23.683 2.242 -2.711 416 1HE LYS 54 HE2 LYS 54 -24.079 1.206 -4.888 417 2HE LYS 54 HE1 LYS 54 -25.573 0.493 -4.276 418 1HZ LYS 54 HZ1 LYS 54 -26.230 2.421 -5.396 419 2HZ LYS 54 HZ2 LYS 54 -24.966 3.356 -4.753 420 3HZ LYS 54 HZ3 LYS 54 -26.255 2.873 -3.759 421 H THR 55 HN THR 55 -19.157 0.505 -3.449 422 HA THR 55 HA THR 55 -18.572 -1.659 -5.327 423 HB THR 55 HB THR 55 -17.271 1.052 -5.305 424 HG1 THR 55 HG1 THR 55 -19.457 1.496 -5.463 425 1HG2 THR 55 HG21 THR 55 -16.235 -0.653 -6.720 426 2HG2 THR 55 HG22 THR 55 -16.994 0.601 -7.702 427 3HG2 THR 55 HG23 THR 55 -17.788 -0.961 -7.497 428 H LEU 56 HN LEU 56 -16.995 0.244 -2.755 429 HA LEU 56 HA LEU 56 -14.453 -1.055 -3.311 430 1HB LEU 56 HB2 LEU 56 -15.117 1.042 -1.250 431 2HB LEU 56 HB1 LEU 56 -13.510 0.481 -1.670 432 HG LEU 56 HG LEU 56 -15.387 1.980 -3.501 433 1HD1 LEU 56 HD11 LEU 56 -14.471 3.390 -1.745 434 2HD1 LEU 56 HD12 LEU 56 -13.755 3.792 -3.305 435 3HD1 LEU 56 HD13 LEU 56 -12.842 2.839 -2.135 436 1HD2 LEU 56 HD21 LEU 56 -12.554 1.045 -3.944 437 2HD2 LEU 56 HD22 LEU 56 -13.486 2.066 -5.038 438 3HD2 LEU 56 HD23 LEU 56 -13.994 0.405 -4.735 439 H GLU 57 HN GLU 57 -17.080 -1.524 -1.153 440 HA GLU 57 HA GLU 57 -15.697 -2.702 0.997 441 1HB GLU 57 HB2 GLU 57 -18.491 -3.040 -0.044 442 2HB GLU 57 HB1 GLU 57 -17.904 -4.010 1.297 443 1HG GLU 57 HG2 GLU 57 -17.724 -1.025 1.338 444 2HG GLU 57 HG1 GLU 57 -19.207 -1.865 1.789 445 HA PRO 58 HA PRO 58 -16.183 -6.983 -1.453 446 1HB PRO 58 HB2 PRO 58 -16.295 -5.802 -4.179 447 2HB PRO 58 HB1 PRO 58 -17.071 -7.259 -3.551 448 1HG PRO 58 HG2 PRO 58 -18.459 -5.014 -3.995 449 2HG PRO 58 HG1 PRO 58 -18.831 -6.090 -2.636 450 1HD PRO 58 HD2 PRO 58 -17.479 -3.442 -2.637 451 2HD PRO 58 HD1 PRO 58 -18.503 -4.199 -1.408 452 H LEU 59 HN LEU 59 -14.675 -4.050 -2.602 453 HA LEU 59 HA LEU 59 -12.450 -5.209 -3.901 454 1HB LEU 59 HB2 LEU 59 -13.253 -2.873 -4.205 455 2HB LEU 59 HB1 LEU 59 -12.670 -2.493 -2.597 456 HG LEU 59 HG LEU 59 -10.360 -3.136 -3.401 457 1HD1 LEU 59 HD11 LEU 59 -11.733 -3.012 -6.082 458 2HD1 LEU 59 HD12 LEU 59 -11.014 -4.443 -5.343 459 3HD1 LEU 59 HD13 LEU 59 -9.991 -3.088 -5.821 460 1HD2 LEU 59 HD21 LEU 59 -11.743 -0.824 -4.758 461 2HD2 LEU 59 HD22 LEU 59 -10.004 -0.995 -4.522 462 3HD2 LEU 59 HD23 LEU 59 -11.071 -0.818 -3.128 463 H SER 60 HN SER 60 -12.706 -3.647 -0.702 464 HA SER 60 HA SER 60 -10.058 -4.482 0.035 465 1HB SER 60 HB2 SER 60 -10.727 -3.451 2.260 466 2HB SER 60 HB1 SER 60 -10.783 -2.370 0.867 467 HG SER 60 HG SER 60 -12.909 -2.302 0.976 468 H ALA 61 HN ALA 61 -13.169 -5.866 0.232 469 HA ALA 61 HA ALA 61 -12.947 -7.358 2.617 470 1HB ALA 61 HB1 ALA 61 -14.576 -8.013 0.169 471 2HB ALA 61 HB2 ALA 61 -15.079 -6.942 1.477 472 3HB ALA 61 HB3 ALA 61 -14.815 -8.657 1.794 473 H LYS 62 HN LYS 62 -11.002 -7.610 0.017 474 HA LYS 62 HA LYS 62 -10.810 -10.470 -0.157 475 1HB LYS 62 HB2 LYS 62 -8.910 -8.316 -1.100 476 2HB LYS 62 HB1 LYS 62 -8.787 -10.023 -1.498 477 1HG LYS 62 HG2 LYS 62 -10.978 -9.888 -2.620 478 2HG LYS 62 HG1 LYS 62 -11.011 -8.154 -2.286 479 1HD LYS 62 HD2 LYS 62 -8.882 -7.925 -3.545 480 2HD LYS 62 HD1 LYS 62 -8.986 -9.637 -3.961 481 1HE LYS 62 HE2 LYS 62 -9.819 -8.287 -5.788 482 2HE LYS 62 HE1 LYS 62 -11.136 -9.215 -5.073 483 1HZ LYS 62 HZ1 LYS 62 -10.544 -6.376 -4.445 484 2HZ LYS 62 HZ2 LYS 62 -11.876 -7.276 -3.907 485 3HZ LYS 62 HZ3 LYS 62 -11.726 -6.890 -5.551 486 H TYR 63 HN TYR 63 -9.488 -7.993 1.865 487 HA TYR 63 HA TYR 63 -7.275 -9.704 2.748 488 1HB TYR 63 HB2 TYR 63 -7.932 -6.849 3.493 489 2HB TYR 63 HB1 TYR 63 -6.505 -7.732 3.995 490 HD1 TYR 63 HD1 TYR 63 -8.204 -6.192 1.099 491 HD2 TYR 63 HD2 TYR 63 -4.611 -7.905 2.596 492 HE1 TYR 63 HE1 TYR 63 -6.980 -5.301 -0.838 493 HE2 TYR 63 HE2 TYR 63 -3.378 -7.028 0.665 494 HH TYR 63 HH TYR 63 -4.723 -4.715 -1.470 495 H LYS 64 HN LYS 64 -10.195 -10.130 3.470 496 HA LYS 64 HA LYS 64 -10.683 -9.233 6.074 497 1HB LYS 64 HB2 LYS 64 -12.318 -11.292 6.067 498 2HB LYS 64 HB1 LYS 64 -12.624 -9.879 5.073 499 1HG LYS 64 HG2 LYS 64 -13.038 -11.587 3.598 500 2HG LYS 64 HG1 LYS 64 -11.354 -11.214 3.239 501 1HD LYS 64 HD2 LYS 64 -11.664 -13.609 3.341 502 2HD LYS 64 HD1 LYS 64 -10.663 -13.082 4.696 503 1HE LYS 64 HE2 LYS 64 -12.611 -13.156 6.167 504 2HE LYS 64 HE1 LYS 64 -13.622 -13.659 4.812 505 1HZ LYS 64 HZ1 LYS 64 -11.342 -15.186 5.958 506 2HZ LYS 64 HZ2 LYS 64 -12.265 -15.664 4.616 507 3HZ LYS 64 HZ3 LYS 64 -12.988 -15.546 6.142 508 H ASN 65 HN ASN 65 -8.791 -9.560 7.230 509 HA ASN 65 HA ASN 65 -7.330 -10.587 8.621 510 1HB ASN 65 HB2 ASN 65 -9.560 -10.747 9.828 511 2HB ASN 65 HB1 ASN 65 -9.621 -12.426 9.306 512 1HD2 ASN 65 HD21 ASN 65 -8.147 -13.904 10.174 513 2HD2 ASN 65 HD22 ASN 65 -7.256 -13.568 11.625 514 H ILE 66 HN ILE 66 -6.492 -11.410 6.390 515 HA ILE 66 HA ILE 66 -6.423 -14.311 6.210 516 HB ILE 66 HB ILE 66 -4.611 -12.348 4.790 517 1HG1 ILE 66 HG12 ILE 66 -7.281 -13.410 3.837 518 2HG1 ILE 66 HG11 ILE 66 -6.984 -11.762 4.384 519 1HG2 ILE 66 HG21 ILE 66 -5.477 -15.155 4.099 520 2HG2 ILE 66 HG22 ILE 66 -3.897 -14.676 4.719 521 3HG2 ILE 66 HG23 ILE 66 -4.420 -14.136 3.123 522 1HD1 ILE 66 HD11 ILE 66 -5.414 -11.440 2.541 523 2HD1 ILE 66 HD12 ILE 66 -7.020 -11.889 1.965 524 3HD1 ILE 66 HD13 ILE 66 -5.726 -13.087 1.993 525 H ALA 67 HN ALA 67 -4.716 -11.703 7.586 526 HA ALA 67 HA ALA 67 -2.934 -13.294 9.136 527 1HB ALA 67 HB1 ALA 67 -1.786 -11.644 6.873 528 2HB ALA 67 HB2 ALA 67 -1.718 -13.400 7.018 529 3HB ALA 67 HB3 ALA 67 -0.848 -12.387 8.169 530 H GLY 68 HN GLY 68 -1.014 -11.003 9.274 531 1HA GLY 68 HA2 GLY 68 -2.534 -9.226 10.947 532 2HA GLY 68 HA1 GLY 68 -0.833 -9.064 10.525 533 H VAL 69 HN VAL 69 -3.748 -9.203 8.511 534 HA VAL 69 HA VAL 69 -2.857 -6.735 7.202 535 HB VAL 69 HB VAL 69 -4.475 -7.434 5.360 536 1HG1 VAL 69 HG11 VAL 69 -2.056 -9.157 5.884 537 2HG1 VAL 69 HG12 VAL 69 -2.068 -7.566 5.110 538 3HG1 VAL 69 HG13 VAL 69 -2.851 -8.940 4.322 539 1HG2 VAL 69 HG21 VAL 69 -4.272 -10.084 6.783 540 2HG2 VAL 69 HG22 VAL 69 -4.956 -9.827 5.177 541 3HG2 VAL 69 HG23 VAL 69 -5.731 -9.112 6.592 542 H GLU 70 HN GLU 70 -3.989 -4.968 7.407 543 HA GLU 70 HA GLU 70 -6.706 -5.155 8.518 544 1HB GLU 70 HB2 GLU 70 -4.715 -2.887 8.715 545 2HB GLU 70 HB1 GLU 70 -6.340 -2.870 9.383 546 1HG GLU 70 HG2 GLU 70 -5.748 -4.719 10.869 547 2HG GLU 70 HG1 GLU 70 -4.118 -4.732 10.196 548 H GLU 71 HN GLU 71 -8.130 -4.957 6.928 549 HA GLU 71 HA GLU 71 -7.661 -3.088 4.736 550 1HB GLU 71 HB2 GLU 71 -10.235 -4.079 4.432 551 2HB GLU 71 HB1 GLU 71 -8.796 -4.674 3.623 552 1HG GLU 71 HG2 GLU 71 -10.000 -6.517 4.563 553 2HG GLU 71 HG1 GLU 71 -8.486 -6.312 5.438 554 H LYS 72 HN LYS 72 -7.873 -1.049 5.533 555 HA LYS 72 HA LYS 72 -10.174 -0.544 7.297 556 1HB LYS 72 HB2 LYS 72 -7.668 -0.328 8.031 557 2HB LYS 72 HB1 LYS 72 -7.752 1.208 7.187 558 1HG LYS 72 HG2 LYS 72 -9.277 2.096 8.693 559 2HG LYS 72 HG1 LYS 72 -9.764 0.504 9.284 560 1HD LYS 72 HD2 LYS 72 -7.051 1.764 9.700 561 2HD LYS 72 HD1 LYS 72 -8.340 1.705 10.904 562 1HE LYS 72 HE2 LYS 72 -8.253 -0.700 10.958 563 2HE LYS 72 HE1 LYS 72 -7.110 -0.730 9.617 564 1HZ LYS 72 HZ1 LYS 72 -5.445 0.264 10.994 565 2HZ LYS 72 HZ2 LYS 72 -6.073 -1.077 11.819 566 3HZ LYS 72 HZ3 LYS 72 -6.544 0.494 12.265 567 H LEU 73 HN LEU 73 -11.703 0.094 5.826 568 HA LEU 73 HA LEU 73 -11.117 2.163 3.877 569 1HB LEU 73 HB2 LEU 73 -13.602 0.646 4.629 570 2HB LEU 73 HB1 LEU 73 -13.668 2.027 3.554 571 HG LEU 73 HG LEU 73 -12.100 -0.501 3.036 572 1HD1 LEU 73 HD11 LEU 73 -13.806 -0.925 1.331 573 2HD1 LEU 73 HD12 LEU 73 -14.694 0.500 1.867 574 3HD1 LEU 73 HD13 LEU 73 -14.505 -0.879 2.950 575 1HD2 LEU 73 HD21 LEU 73 -11.091 1.468 2.004 576 2HD2 LEU 73 HD22 LEU 73 -12.647 1.898 1.291 577 3HD2 LEU 73 HD23 LEU 73 -11.826 0.421 0.787 578 H THR 74 HN THR 74 -10.812 4.155 4.726 579 HA THR 74 HA THR 74 -12.711 5.047 6.778 580 HB THR 74 HB THR 74 -11.170 6.993 7.074 581 HG1 THR 74 HG1 THR 74 -9.372 5.499 5.439 582 1HG2 THR 74 HG21 THR 74 -9.916 4.266 7.403 583 2HG2 THR 74 HG22 THR 74 -11.007 5.052 8.543 584 3HG2 THR 74 HG23 THR 74 -9.409 5.734 8.236 585 H TYR 75 HN TYR 75 -14.411 6.144 6.129 586 HA TYR 75 HA TYR 75 -14.482 7.309 3.468 587 1HB TYR 75 HB2 TYR 75 -16.649 7.449 5.571 588 2HB TYR 75 HB1 TYR 75 -16.824 7.648 3.834 589 HD1 TYR 75 HD1 TYR 75 -17.056 5.400 6.560 590 HD2 TYR 75 HD2 TYR 75 -16.319 5.549 2.371 591 HE1 TYR 75 HE1 TYR 75 -17.670 3.030 6.377 592 HE2 TYR 75 HE2 TYR 75 -16.931 3.172 2.176 593 HH TYR 75 HH TYR 75 -17.043 1.146 3.652 594 H THR 76 HN THR 76 -13.581 9.281 3.218 595 HA THR 76 HA THR 76 -13.392 11.083 5.463 596 HB THR 76 HB THR 76 -12.650 11.758 2.630 597 HG1 THR 76 HG1 THR 76 -11.119 10.273 4.543 598 1HG2 THR 76 HG21 THR 76 -10.941 13.127 3.735 599 2HG2 THR 76 HG22 THR 76 -11.516 12.577 5.309 600 3HG2 THR 76 HG23 THR 76 -12.559 13.562 4.285 601 H ASP 77 HN ASP 77 -14.517 11.508 2.161 602 HA ASP 77 HA ASP 77 -17.122 12.273 2.592 603 1HB ASP 77 HB2 ASP 77 -16.439 14.197 3.863 604 2HB ASP 77 HB1 ASP 77 -15.234 14.637 2.655 605 H THR 78 HN THR 78 -14.343 13.611 0.830 606 HA THR 78 HA THR 78 -15.891 13.542 -1.650 607 HB THR 78 HB THR 78 -13.088 14.605 -1.263 608 HG1 THR 78 HG1 THR 78 -15.295 15.508 -0.109 609 1HG2 THR 78 HG21 THR 78 -13.808 14.293 -3.589 610 2HG2 THR 78 HG22 THR 78 -13.644 16.004 -3.196 611 3HG2 THR 78 HG23 THR 78 -15.245 15.267 -3.277 612 H TYR 79 HN TYR 79 -13.580 11.715 0.040 613 HA TYR 79 HA TYR 79 -13.351 9.889 -2.187 614 1HB TYR 79 HB2 TYR 79 -10.930 9.753 -2.129 615 2HB TYR 79 HB1 TYR 79 -11.412 11.410 -2.468 616 HD1 TYR 79 HD1 TYR 79 -10.901 13.190 -0.923 617 HD2 TYR 79 HD2 TYR 79 -9.954 9.156 0.048 618 HE1 TYR 79 HE1 TYR 79 -9.466 13.970 0.916 619 HE2 TYR 79 HE2 TYR 79 -8.526 9.927 1.892 620 HH TYR 79 HH TYR 79 -8.584 13.036 3.100 621 H ALA 80 HN ALA 80 -12.137 7.884 -1.470 622 HA ALA 80 HA ALA 80 -12.605 7.384 1.396 623 1HB ALA 80 HB1 ALA 80 -14.161 6.126 -0.030 624 2HB ALA 80 HB2 ALA 80 -13.060 5.056 0.837 625 3HB ALA 80 HB3 ALA 80 -12.793 5.400 -0.872 626 H GLN 81 HN GLN 81 -10.884 6.746 2.548 627 HA GLN 81 HA GLN 81 -8.396 6.214 1.085 628 1HB GLN 81 HB2 GLN 81 -8.971 7.813 3.318 629 2HB GLN 81 HB1 GLN 81 -8.115 6.422 3.964 630 1HG GLN 81 HG2 GLN 81 -7.094 8.114 1.695 631 2HG GLN 81 HG1 GLN 81 -6.686 8.385 3.385 632 1HE2 GLN 81 HE21 GLN 81 -4.517 8.023 3.108 633 2HE2 GLN 81 HE22 GLN 81 -3.854 6.467 2.767 634 H GLU 82 HN GLU 82 -8.137 4.136 0.697 635 HA GLU 82 HA GLU 82 -9.067 2.139 2.607 636 1HB GLU 82 HB2 GLU 82 -9.518 1.850 0.175 637 2HB GLU 82 HB1 GLU 82 -7.788 1.786 -0.114 638 1HG GLU 82 HG2 GLU 82 -7.693 -0.218 1.368 639 2HG GLU 82 HG1 GLU 82 -9.452 -0.191 1.420 640 H ASN 83 HN ASN 83 -7.587 2.532 4.277 641 HA ASN 83 HA ASN 83 -4.747 2.384 3.779 642 1HB ASN 83 HB2 ASN 83 -6.232 2.333 6.422 643 2HB ASN 83 HB1 ASN 83 -4.506 2.589 6.208 644 1HD2 ASN 83 HD21 ASN 83 -3.765 4.584 5.457 645 2HD2 ASN 83 HD22 ASN 83 -4.786 5.974 5.411 646 H VAL 84 HN VAL 84 -4.207 0.390 2.988 647 HA VAL 84 HA VAL 84 -5.279 -1.964 4.396 648 HB VAL 84 HB VAL 84 -3.738 -1.887 1.798 649 1HG1 VAL 84 HG11 VAL 84 -5.310 -4.105 3.103 650 2HG1 VAL 84 HG12 VAL 84 -3.552 -4.008 2.992 651 3HG1 VAL 84 HG13 VAL 84 -4.519 -4.183 1.528 652 1HG2 VAL 84 HG21 VAL 84 -5.902 -2.310 0.723 653 2HG2 VAL 84 HG22 VAL 84 -5.871 -0.757 1.559 654 3HG2 VAL 84 HG23 VAL 84 -6.702 -2.132 2.287 655 H THR 85 HN THR 85 -4.063 -2.651 6.042 656 HA THR 85 HA THR 85 -1.187 -2.151 5.951 657 HB THR 85 HB THR 85 -2.756 -3.313 8.255 658 HG1 THR 85 HG1 THR 85 -3.078 -0.935 7.229 659 1HG2 THR 85 HG21 THR 85 -0.108 -1.869 8.085 660 2HG2 THR 85 HG22 THR 85 -0.337 -3.590 8.397 661 3HG2 THR 85 HG23 THR 85 -0.884 -2.398 9.578 662 H ILE 86 HN ILE 86 -0.264 -3.676 4.707 663 HA ILE 86 HA ILE 86 -1.137 -6.449 4.922 664 HB ILE 86 HB ILE 86 0.852 -5.212 3.012 665 1HG1 ILE 86 HG12 ILE 86 -2.045 -5.980 2.575 666 2HG1 ILE 86 HG11 ILE 86 -1.449 -4.332 2.738 667 1HG2 ILE 86 HG21 ILE 86 1.222 -7.597 3.339 668 2HG2 ILE 86 HG22 ILE 86 0.571 -7.287 1.730 669 3HG2 ILE 86 HG23 ILE 86 -0.477 -7.922 2.998 670 1HD1 ILE 86 HD11 ILE 86 -0.755 -6.265 0.538 671 2HD1 ILE 86 HD12 ILE 86 -0.120 -4.628 0.703 672 3HD1 ILE 86 HD13 ILE 86 -1.843 -4.882 0.418 673 H ASP 87 HN ASP 87 -0.198 -7.614 6.429 674 HA ASP 87 HA ASP 87 2.277 -6.994 7.661 675 1HB ASP 87 HB2 ASP 87 0.340 -8.285 8.659 676 2HB ASP 87 HB1 ASP 87 0.851 -9.658 7.683 677 H MET 88 HN MET 88 4.214 -8.454 7.666 678 HA MET 88 HA MET 88 4.420 -10.128 5.266 679 1HB MET 88 HB2 MET 88 6.356 -7.975 6.079 680 2HB MET 88 HB1 MET 88 6.828 -9.313 5.039 681 1HG MET 88 HG2 MET 88 4.921 -8.641 3.532 682 2HG MET 88 HG1 MET 88 4.801 -7.173 4.500 683 1HE MET 88 HE1 MET 88 5.320 -7.492 1.323 684 2HE MET 88 HE2 MET 88 6.472 -6.183 1.049 685 3HE MET 88 HE3 MET 88 5.078 -5.927 2.100 686 H GLU 89 HN GLU 89 4.184 -10.443 8.281 687 HA GLU 89 HA GLU 89 6.543 -12.178 8.633 688 1HB GLU 89 HB2 GLU 89 4.792 -10.957 10.771 689 2HB GLU 89 HB1 GLU 89 6.248 -11.906 11.032 690 1HG GLU 89 HG2 GLU 89 7.574 -10.157 9.946 691 2HG GLU 89 HG1 GLU 89 6.107 -9.201 9.711 692 H LYS 90 HN LYS 90 3.071 -11.862 9.061 693 HA LYS 90 HA LYS 90 2.873 -14.757 9.615 694 1HB LYS 90 HB2 LYS 90 2.181 -13.204 11.438 695 2HB LYS 90 HB1 LYS 90 0.968 -12.526 10.366 696 1HG LYS 90 HG2 LYS 90 -0.219 -14.634 10.319 697 2HG LYS 90 HG1 LYS 90 1.045 -15.392 11.293 698 1HD LYS 90 HD2 LYS 90 0.528 -13.996 13.170 699 2HD LYS 90 HD1 LYS 90 -0.586 -13.027 12.206 700 1HE LYS 90 HE2 LYS 90 -0.961 -15.970 12.726 701 2HE LYS 90 HE1 LYS 90 -1.654 -14.709 13.744 702 1HZ LYS 90 HZ1 LYS 90 -2.867 -13.868 11.843 703 2HZ LYS 90 HZ2 LYS 90 -3.231 -15.503 12.085 704 3HZ LYS 90 HZ3 LYS 90 -2.178 -15.049 10.836 705 H VAL 91 HN VAL 91 2.745 -12.941 7.048 706 HA VAL 91 HA VAL 91 0.061 -13.339 6.085 707 HB VAL 91 HB VAL 91 1.196 -12.670 3.835 708 1HG1 VAL 91 HG11 VAL 91 0.903 -10.740 6.121 709 2HG1 VAL 91 HG12 VAL 91 -0.373 -11.284 5.029 710 3HG1 VAL 91 HG13 VAL 91 0.966 -10.316 4.408 711 1HG2 VAL 91 HG21 VAL 91 3.490 -12.970 4.545 712 2HG2 VAL 91 HG22 VAL 91 3.269 -11.793 5.839 713 3HG2 VAL 91 HG23 VAL 91 3.193 -11.275 4.156 714 H ASP 92 HN ASP 92 -0.127 -14.099 3.770 715 HA ASP 92 HA ASP 92 1.612 -16.377 3.152 716 1HB ASP 92 HB2 ASP 92 -0.484 -17.306 4.080 717 2HB ASP 92 HB1 ASP 92 -1.407 -16.402 2.883 718 H PHE 93 HN PHE 93 2.646 -15.638 1.409 719 HA PHE 93 HA PHE 93 1.665 -13.510 -0.159 720 1HB PHE 93 HB2 PHE 93 3.923 -15.452 -0.666 721 2HB PHE 93 HB1 PHE 93 3.590 -14.055 -1.681 722 HD1 PHE 93 HD1 PHE 93 3.228 -11.827 -0.121 723 HD2 PHE 93 HD2 PHE 93 5.675 -15.195 0.750 724 HE1 PHE 93 HE1 PHE 93 4.631 -10.422 1.329 725 HE2 PHE 93 HE2 PHE 93 7.083 -13.800 2.211 726 HZ PHE 93 HZ PHE 93 6.560 -11.408 2.502 727 H LYS 94 HN LYS 94 1.315 -16.941 -0.420 728 HA LYS 94 HA LYS 94 0.861 -17.216 -3.177 729 1HB LYS 94 HB2 LYS 94 -0.589 -18.854 -1.113 730 2HB LYS 94 HB1 LYS 94 0.005 -19.354 -2.690 731 1HG LYS 94 HG2 LYS 94 2.303 -19.188 -1.874 732 2HG LYS 94 HG1 LYS 94 1.700 -18.694 -0.293 733 1HD LYS 94 HD2 LYS 94 0.419 -20.865 -0.229 734 2HD LYS 94 HD1 LYS 94 1.319 -21.346 -1.669 735 1HE LYS 94 HE2 LYS 94 2.466 -22.262 0.193 736 2HE LYS 94 HE1 LYS 94 3.425 -20.894 -0.371 737 1HZ LYS 94 HZ1 LYS 94 1.948 -21.230 2.117 738 2HZ LYS 94 HZ2 LYS 94 1.895 -19.687 1.429 739 3HZ LYS 94 HZ3 LYS 94 3.390 -20.388 1.816 740 H ALA 95 HN ALA 95 -1.426 -16.855 -0.486 741 HA ALA 95 HA ALA 95 -3.709 -16.592 -2.169 742 1HB ALA 95 HB1 ALA 95 -3.359 -15.841 0.732 743 2HB ALA 95 HB2 ALA 95 -3.860 -17.420 0.128 744 3HB ALA 95 HB3 ALA 95 -4.896 -16.014 -0.117 745 H LEU 96 HN LEU 96 -1.353 -14.368 -0.926 746 HA LEU 96 HA LEU 96 -3.018 -12.040 -1.313 747 1HB LEU 96 HB2 LEU 96 -0.120 -12.365 -0.569 748 2HB LEU 96 HB1 LEU 96 -0.891 -10.804 -0.769 749 HG LEU 96 HG LEU 96 -1.644 -12.897 1.271 750 1HD1 LEU 96 HD11 LEU 96 -0.282 -10.223 1.550 751 2HD1 LEU 96 HD12 LEU 96 0.467 -11.805 1.770 752 3HD1 LEU 96 HD13 LEU 96 -0.790 -11.261 2.882 753 1HD2 LEU 96 HD21 LEU 96 -2.731 -10.118 0.828 754 2HD2 LEU 96 HD22 LEU 96 -3.149 -11.192 2.163 755 3HD2 LEU 96 HD23 LEU 96 -3.587 -11.627 0.510 756 H GLN 97 HN GLN 97 -1.097 -13.949 -3.307 757 HA GLN 97 HA GLN 97 0.241 -12.218 -4.980 758 1HB GLN 97 HB2 GLN 97 0.421 -14.650 -5.124 759 2HB GLN 97 HB1 GLN 97 -1.225 -14.753 -5.727 760 1HG GLN 97 HG2 GLN 97 -0.536 -13.447 -7.710 761 2HG GLN 97 HG1 GLN 97 1.124 -13.486 -7.115 762 1HE2 GLN 97 HE21 GLN 97 -0.008 -14.562 -9.582 763 2HE2 GLN 97 HE22 GLN 97 0.348 -16.264 -9.569 764 H GLY 98 HN GLY 98 -3.162 -13.210 -5.171 765 1HA GLY 98 HA2 GLY 98 -3.563 -11.230 -7.308 766 2HA GLY 98 HA1 GLY 98 -4.651 -12.559 -6.934 767 H ILE 99 HN ILE 99 -3.403 -10.857 -4.247 768 HA ILE 99 HA ILE 99 -6.006 -9.529 -3.929 769 HB ILE 99 HB ILE 99 -4.237 -10.698 -1.787 770 1HG1 ILE 99 HG12 ILE 99 -5.501 -12.382 -3.037 771 2HG1 ILE 99 HG11 ILE 99 -6.109 -12.235 -1.393 772 1HG2 ILE 99 HG21 ILE 99 -6.022 -10.074 -0.219 773 2HG2 ILE 99 HG22 ILE 99 -6.859 -9.236 -1.526 774 3HG2 ILE 99 HG23 ILE 99 -5.280 -8.668 -0.982 775 1HD1 ILE 99 HD11 ILE 99 -7.926 -12.467 -2.972 776 2HD1 ILE 99 HD12 ILE 99 -7.358 -11.052 -3.860 777 3HD1 ILE 99 HD13 ILE 99 -7.966 -10.874 -2.213 778 H SER 100 HN SER 100 -2.641 -9.351 -2.918 779 HA SER 100 HA SER 100 -2.860 -6.833 -1.674 780 1HB SER 100 HB2 SER 100 -0.381 -8.232 -2.692 781 2HB SER 100 HB1 SER 100 -0.420 -6.910 -1.524 782 HG SER 100 HG SER 100 -1.268 -8.226 -0.029 783 H GLY 101 HN GLY 101 -2.554 -7.622 -4.987 784 1HA GLY 101 HA2 GLY 101 -2.772 -6.116 -6.752 785 2HA GLY 101 HA1 GLY 101 -2.510 -4.797 -5.621 786 H ILE 102 HN ILE 102 -0.039 -6.521 -4.756 787 HA ILE 102 HA ILE 102 1.854 -5.155 -6.387 788 HB ILE 102 HB ILE 102 2.369 -7.497 -4.538 789 1HG1 ILE 102 HG12 ILE 102 2.519 -4.526 -3.975 790 2HG1 ILE 102 HG11 ILE 102 1.277 -5.616 -3.371 791 1HG2 ILE 102 HG21 ILE 102 4.667 -6.643 -4.477 792 2HG2 ILE 102 HG22 ILE 102 4.230 -5.383 -5.632 793 3HG2 ILE 102 HG23 ILE 102 4.184 -7.078 -6.117 794 1HD1 ILE 102 HD11 ILE 102 2.937 -5.148 -1.670 795 2HD1 ILE 102 HD12 ILE 102 4.212 -5.755 -2.727 796 3HD1 ILE 102 HD13 ILE 102 2.969 -6.853 -2.123 797 H ASN 103 HN ASN 103 1.444 -5.731 -8.478 798 HA ASN 103 HA ASN 103 2.229 -8.466 -9.221 799 1HB ASN 103 HB2 ASN 103 -0.062 -6.791 -10.187 800 2HB ASN 103 HB1 ASN 103 0.702 -7.913 -11.303 801 1HD2 ASN 103 HD21 ASN 103 0.644 -8.767 -7.952 802 2HD2 ASN 103 HD22 ASN 103 -0.610 -9.957 -8.065 803 H VAL 104 HN VAL 104 4.136 -6.654 -8.937 804 HA VAL 104 HA VAL 104 4.663 -5.243 -11.410 805 HB VAL 104 HB VAL 104 6.800 -4.614 -10.408 806 1HG1 VAL 104 HG11 VAL 104 4.846 -3.311 -9.790 807 2HG1 VAL 104 HG12 VAL 104 5.983 -3.401 -8.444 808 3HG1 VAL 104 HG13 VAL 104 4.529 -4.399 -8.438 809 1HG2 VAL 104 HG21 VAL 104 6.049 -6.447 -8.131 810 2HG2 VAL 104 HG22 VAL 104 7.441 -5.365 -8.167 811 3HG2 VAL 104 HG23 VAL 104 7.345 -6.717 -9.296 812 H SER 105 HN SER 105 5.046 -8.312 -10.104 813 HA SER 105 HA SER 105 6.057 -9.312 -12.605 814 1HB SER 105 HB2 SER 105 8.145 -8.809 -11.292 815 2HB SER 105 HB1 SER 105 7.569 -9.904 -10.037 816 HG SER 105 HG SER 105 8.979 -10.516 -12.161 817 H ALA 106 HN ALA 106 6.246 -11.904 -12.162 818 HA ALA 106 HA ALA 106 3.854 -12.641 -10.647 819 1HB ALA 106 HB1 ALA 106 3.828 -14.664 -11.799 820 2HB ALA 106 HB2 ALA 106 5.542 -14.573 -12.188 821 3HB ALA 106 HB3 ALA 106 4.396 -13.514 -13.013 822 H GLU 107 HN GLU 107 7.253 -12.614 -10.440 823 HA GLU 107 HA GLU 107 7.413 -14.810 -8.546 824 1HB GLU 107 HB2 GLU 107 9.821 -14.475 -8.665 825 2HB GLU 107 HB1 GLU 107 9.138 -14.560 -10.282 826 1HG GLU 107 HG2 GLU 107 9.195 -12.099 -10.403 827 2HG GLU 107 HG1 GLU 107 9.962 -12.062 -8.817 828 H ASP 108 HN ASP 108 6.851 -11.493 -8.405 829 HA ASP 108 HA ASP 108 8.450 -10.662 -6.278 830 1HB ASP 108 HB2 ASP 108 6.620 -8.889 -5.956 831 2HB ASP 108 HB1 ASP 108 7.444 -8.938 -7.505 832 H ALA 109 HN ALA 109 5.049 -11.727 -6.172 833 HA ALA 109 HA ALA 109 5.031 -11.843 -3.319 834 1HB ALA 109 HB1 ALA 109 2.991 -11.479 -4.620 835 2HB ALA 109 HB2 ALA 109 2.847 -12.878 -3.557 836 3HB ALA 109 HB3 ALA 109 3.126 -13.107 -5.283 837 H LYS 110 HN LYS 110 5.385 -14.268 -5.877 838 HA LYS 110 HA LYS 110 5.147 -16.540 -4.244 839 1HB LYS 110 HB2 LYS 110 6.666 -16.255 -6.843 840 2HB LYS 110 HB1 LYS 110 6.206 -17.775 -6.097 841 1HG LYS 110 HG2 LYS 110 3.821 -17.095 -6.344 842 2HG LYS 110 HG1 LYS 110 4.376 -15.686 -7.254 843 1HD LYS 110 HD2 LYS 110 5.406 -17.120 -8.912 844 2HD LYS 110 HD1 LYS 110 4.965 -18.554 -7.985 845 1HE LYS 110 HE2 LYS 110 2.996 -16.587 -9.142 846 2HE LYS 110 HE1 LYS 110 3.467 -18.098 -9.917 847 1HZ LYS 110 HZ1 LYS 110 2.597 -19.306 -8.006 848 2HZ LYS 110 HZ2 LYS 110 1.395 -18.341 -8.709 849 3HZ LYS 110 HZ3 LYS 110 2.137 -17.850 -7.267 850 H LYS 111 HN LYS 111 7.968 -14.626 -5.132 851 HA LYS 111 HA LYS 111 9.815 -16.550 -4.013 852 1HB LYS 111 HB2 LYS 111 10.289 -15.168 -6.046 853 2HB LYS 111 HB1 LYS 111 10.335 -13.747 -5.016 854 1HG LYS 111 HG2 LYS 111 12.568 -14.493 -5.520 855 2HG LYS 111 HG1 LYS 111 12.235 -14.706 -3.801 856 1HD LYS 111 HD2 LYS 111 11.977 -17.044 -4.044 857 2HD LYS 111 HD1 LYS 111 11.895 -16.924 -5.803 858 1HE LYS 111 HE2 LYS 111 14.317 -16.205 -4.162 859 2HE LYS 111 HE1 LYS 111 14.072 -17.772 -4.930 860 1HZ LYS 111 HZ1 LYS 111 14.142 -15.178 -6.378 861 2HZ LYS 111 HZ2 LYS 111 14.030 -16.720 -7.071 862 3HZ LYS 111 HZ3 LYS 111 15.447 -16.255 -6.262 863 H GLY 112 HN GLY 112 8.043 -13.840 -2.915 864 1HA GLY 112 HA2 GLY 112 7.918 -13.205 -0.631 865 2HA GLY 112 HA1 GLY 112 9.531 -13.867 -0.388 866 H ILE 113 HN ILE 113 8.198 -11.129 0.017 867 HA ILE 113 HA ILE 113 9.643 -9.436 -1.810 868 HB ILE 113 HB ILE 113 7.910 -8.773 0.565 869 1HG1 ILE 113 HG12 ILE 113 6.684 -9.703 -1.332 870 2HG1 ILE 113 HG11 ILE 113 6.325 -7.989 -1.161 871 1HG2 ILE 113 HG21 ILE 113 9.193 -6.911 -1.429 872 2HG2 ILE 113 HG22 ILE 113 9.585 -7.040 0.286 873 3HG2 ILE 113 HG23 ILE 113 8.000 -6.448 -0.214 874 1HD1 ILE 113 HD11 ILE 113 6.601 -8.613 -3.497 875 2HD1 ILE 113 HD12 ILE 113 8.229 -9.199 -3.160 876 3HD1 ILE 113 HD13 ILE 113 7.857 -7.483 -2.992 877 H THR 114 HN THR 114 11.658 -8.894 -1.567 878 HA THR 114 HA THR 114 12.771 -8.611 1.137 879 HB THR 114 HB THR 114 14.999 -8.838 -0.321 880 HG1 THR 114 HG1 THR 114 14.323 -9.286 -2.315 881 1HG2 THR 114 HG21 THR 114 14.385 -10.251 1.580 882 2HG2 THR 114 HG22 THR 114 15.042 -11.214 0.256 883 3HG2 THR 114 HG23 THR 114 13.301 -11.179 0.542 884 H MET 115 HN MET 115 14.741 -7.019 1.078 885 HA MET 115 HA MET 115 13.502 -4.522 0.529 886 1HB MET 115 HB2 MET 115 14.952 -4.919 2.488 887 2HB MET 115 HB1 MET 115 16.341 -5.043 1.414 888 1HG MET 115 HG2 MET 115 16.169 -2.841 2.470 889 2HG MET 115 HG1 MET 115 16.053 -2.754 0.712 890 1HE MET 115 HE1 MET 115 15.223 -0.279 2.391 891 2HE MET 115 HE2 MET 115 13.670 0.146 1.669 892 3HE MET 115 HE3 MET 115 15.006 -0.374 0.642 893 H ALA 116 HN ALA 116 16.224 -6.224 -0.974 894 HA ALA 116 HA ALA 116 17.169 -4.185 -2.624 895 1HB ALA 116 HB1 ALA 116 18.088 -5.951 -4.035 896 2HB ALA 116 HB2 ALA 116 17.045 -7.137 -3.249 897 3HB ALA 116 HB3 ALA 116 18.314 -6.328 -2.328 898 H GLN 117 HN GLN 117 14.527 -6.435 -3.093 899 HA GLN 117 HA GLN 117 13.751 -5.744 -5.688 900 1HB GLN 117 HB2 GLN 117 12.327 -6.884 -3.310 901 2HB GLN 117 HB1 GLN 117 11.405 -6.412 -4.728 902 1HG GLN 117 HG2 GLN 117 11.962 -8.802 -4.698 903 2HG GLN 117 HG1 GLN 117 12.614 -7.968 -6.104 904 1HE2 GLN 117 HE21 GLN 117 14.152 -9.550 -6.453 905 2HE2 GLN 117 HE22 GLN 117 15.533 -9.752 -5.433 906 H MET 118 HN MET 118 12.190 -4.602 -2.681 907 HA MET 118 HA MET 118 10.529 -2.743 -3.749 908 1HB MET 118 HB2 MET 118 12.000 -2.741 -1.131 909 2HB MET 118 HB1 MET 118 10.864 -1.464 -1.545 910 1HG MET 118 HG2 MET 118 10.198 -4.399 -1.484 911 2HG MET 118 HG1 MET 118 9.864 -3.257 -0.182 912 1HE MET 118 HE1 MET 118 6.364 -4.121 -1.932 913 2HE MET 118 HE2 MET 118 7.345 -4.366 -0.485 914 3HE MET 118 HE3 MET 118 7.756 -5.203 -1.984 915 H GLU 119 HN GLU 119 13.931 -2.091 -2.855 916 HA GLU 119 HA GLU 119 13.970 0.628 -3.476 917 1HB GLU 119 HB2 GLU 119 16.130 -1.471 -3.660 918 2HB GLU 119 HB1 GLU 119 16.440 0.234 -3.951 919 1HG GLU 119 HG2 GLU 119 15.227 -0.762 -1.393 920 2HG GLU 119 HG1 GLU 119 16.969 -0.676 -1.644 921 H LEU 120 HN LEU 120 14.918 -2.080 -5.601 922 HA LEU 120 HA LEU 120 15.372 -0.383 -7.860 923 1HB LEU 120 HB2 LEU 120 15.108 -3.377 -7.613 924 2HB LEU 120 HB1 LEU 120 15.585 -2.555 -9.083 925 HG LEU 120 HG LEU 120 17.110 -2.500 -6.476 926 1HD1 LEU 120 HD11 LEU 120 18.751 -3.870 -7.668 927 2HD1 LEU 120 HD12 LEU 120 17.673 -3.942 -9.062 928 3HD1 LEU 120 HD13 LEU 120 17.193 -4.686 -7.537 929 1HD2 LEU 120 HD21 LEU 120 17.390 -0.445 -7.768 930 2HD2 LEU 120 HD22 LEU 120 17.818 -1.393 -9.192 931 3HD2 LEU 120 HD23 LEU 120 18.867 -1.408 -7.776 932 H VAL 121 HN VAL 121 12.677 -2.094 -6.615 933 HA VAL 121 HA VAL 121 11.210 -2.272 -9.084 934 HB VAL 121 HB VAL 121 10.715 -3.069 -6.234 935 1HG1 VAL 121 HG11 VAL 121 8.573 -2.204 -6.998 936 2HG1 VAL 121 HG12 VAL 121 8.547 -3.959 -6.813 937 3HG1 VAL 121 HG13 VAL 121 8.661 -3.241 -8.422 938 1HG2 VAL 121 HG21 VAL 121 12.043 -4.549 -7.602 939 2HG2 VAL 121 HG22 VAL 121 10.782 -4.581 -8.836 940 3HG2 VAL 121 HG23 VAL 121 10.482 -5.291 -7.247 941 H MET 122 HN MET 122 10.978 -0.368 -6.085 942 HA MET 122 HA MET 122 8.703 1.119 -6.918 943 1HB MET 122 HB2 MET 122 10.733 1.365 -4.750 944 2HB MET 122 HB1 MET 122 9.762 2.777 -5.127 945 1HG MET 122 HG2 MET 122 8.854 1.410 -3.282 946 2HG MET 122 HG1 MET 122 7.737 1.598 -4.631 947 1HE MET 122 HE1 MET 122 6.168 -0.370 -4.820 948 2HE MET 122 HE2 MET 122 6.783 -1.853 -5.551 949 3HE MET 122 HE3 MET 122 7.099 -0.296 -6.316 950 H LYS 123 HN LYS 123 12.180 1.610 -7.182 951 HA LYS 123 HA LYS 123 12.021 4.183 -8.383 952 1HB LYS 123 HB2 LYS 123 14.057 3.335 -7.287 953 2HB LYS 123 HB1 LYS 123 14.216 2.104 -8.528 954 1HG LYS 123 HG2 LYS 123 14.626 3.785 -10.206 955 2HG LYS 123 HG1 LYS 123 14.335 5.071 -9.030 956 1HD LYS 123 HD2 LYS 123 16.266 4.399 -7.751 957 2HD LYS 123 HD1 LYS 123 16.513 2.997 -8.792 958 1HE LYS 123 HE2 LYS 123 18.064 4.827 -9.316 959 2HE LYS 123 HE1 LYS 123 17.005 4.441 -10.671 960 1HZ LYS 123 HZ1 LYS 123 17.365 6.871 -10.145 961 2HZ LYS 123 HZ2 LYS 123 16.386 6.634 -8.777 962 3HZ LYS 123 HZ3 LYS 123 15.757 6.371 -10.331 963 H ALA 124 HN ALA 124 11.754 0.928 -9.556 964 HA ALA 124 HA ALA 124 12.236 1.328 -12.288 965 1HB ALA 124 HB1 ALA 124 12.116 -0.887 -11.282 966 2HB ALA 124 HB2 ALA 124 10.987 -0.753 -12.628 967 3HB ALA 124 HB3 ALA 124 10.396 -0.665 -10.970 968 H ALA 125 HN ALA 125 9.248 1.581 -10.402 969 HA ALA 125 HA ALA 125 7.738 2.316 -12.777 970 1HB ALA 125 HB1 ALA 125 6.841 2.071 -9.908 971 2HB ALA 125 HB2 ALA 125 6.705 0.824 -11.147 972 3HB ALA 125 HB3 ALA 125 5.791 2.325 -11.305 973 H GLY 126 HN GLY 126 9.786 3.935 -10.863 974 1HA GLY 126 HA2 GLY 126 10.190 6.168 -10.530 975 2HA GLY 126 HA1 GLY 126 8.928 6.488 -11.711 976 H PHE 127 HN PHE 127 8.778 4.898 -8.533 977 HA PHE 127 HA PHE 127 6.465 6.461 -7.819 978 1HB PHE 127 HB2 PHE 127 8.087 4.393 -6.338 979 2HB PHE 127 HB1 PHE 127 6.741 5.249 -5.595 980 HD1 PHE 127 HD1 PHE 127 4.667 5.316 -7.518 981 HD2 PHE 127 HD2 PHE 127 7.511 2.232 -6.812 982 HE1 PHE 127 HE1 PHE 127 3.092 3.662 -8.430 983 HE2 PHE 127 HE2 PHE 127 5.942 0.572 -7.726 984 HZ PHE 127 HZ PHE 127 3.730 1.285 -8.537 985 H LYS 128 HN LYS 128 6.353 7.700 -5.822 986 HA LYS 128 HA LYS 128 8.806 9.277 -5.446 987 1HB LYS 128 HB2 LYS 128 5.972 10.141 -4.843 988 2HB LYS 128 HB1 LYS 128 7.400 11.161 -4.987 989 1HG LYS 128 HG2 LYS 128 7.515 10.791 -7.341 990 2HG LYS 128 HG1 LYS 128 6.260 9.557 -7.260 991 1HD LYS 128 HD2 LYS 128 4.704 11.349 -6.427 992 2HD LYS 128 HD1 LYS 128 5.965 12.522 -6.823 993 1HE LYS 128 HE2 LYS 128 5.947 11.725 -9.150 994 2HE LYS 128 HE1 LYS 128 4.660 10.593 -8.740 995 1HZ LYS 128 HZ1 LYS 128 4.522 13.552 -8.757 996 2HZ LYS 128 HZ2 LYS 128 3.322 12.574 -8.070 997 3HZ LYS 128 HZ3 LYS 128 3.657 12.465 -9.728 998 H GLU 129 HN GLU 129 9.822 8.638 -3.619 999 HA GLU 129 HA GLU 129 8.216 7.385 -1.541 1000 1HB GLU 129 HB2 GLU 129 11.211 7.516 -1.855 1001 2HB GLU 129 HB1 GLU 129 10.354 6.605 -0.618 1002 1HG GLU 129 HG2 GLU 129 9.159 5.550 -2.719 1003 2HG GLU 129 HG1 GLU 129 10.643 6.064 -3.521 1004 H VAL 130 HN VAL 130 7.583 8.382 0.182 1005 HA VAL 130 HA VAL 130 8.785 10.922 0.967 1006 HB VAL 130 HB VAL 130 6.367 9.541 2.146 1007 1HG1 VAL 130 HG11 VAL 130 7.295 12.405 2.286 1008 2HG1 VAL 130 HG12 VAL 130 7.337 11.223 3.595 1009 3HG1 VAL 130 HG13 VAL 130 5.790 11.778 2.959 1010 1HG2 VAL 130 HG21 VAL 130 5.019 11.085 0.764 1011 2HG2 VAL 130 HG22 VAL 130 5.920 9.897 -0.179 1012 3HG2 VAL 130 HG23 VAL 130 6.493 11.564 -0.081 1013 H LYS 131 HN LYS 131 10.485 10.736 2.276 1014 HA LYS 131 HA LYS 131 11.021 8.488 3.905 1015 1HB LYS 131 HB2 LYS 131 12.155 11.274 4.177 1016 2HB LYS 131 HB1 LYS 131 12.847 9.798 4.828 1017 1HG LYS 131 HG2 LYS 131 13.148 8.984 2.497 1018 2HG LYS 131 HG1 LYS 131 12.601 10.565 1.928 1019 1HD LYS 131 HD2 LYS 131 15.000 10.570 1.951 1020 2HD LYS 131 HD1 LYS 131 14.435 11.600 3.269 1021 1HE LYS 131 HE2 LYS 131 14.661 9.521 4.743 1022 2HE LYS 131 HE1 LYS 131 15.590 8.831 3.415 1023 1HZ LYS 131 HZ1 LYS 131 17.006 10.916 3.590 1024 2HZ LYS 131 HZ2 LYS 131 17.154 9.771 4.838 1025 3HZ LYS 131 HZ3 LYS 131 16.244 11.179 5.090 1026 H LEU 132 HN LEU 132 9.846 7.946 5.637 1027 HA LEU 132 HA LEU 132 8.422 9.933 7.159 1028 1HB LEU 132 HB2 LEU 132 7.523 7.641 6.701 1029 2HB LEU 132 HB1 LEU 132 8.764 6.992 7.754 1030 HG LEU 132 HG LEU 132 7.805 8.265 9.643 1031 1HD1 LEU 132 HD11 LEU 132 5.604 9.303 9.394 1032 2HD1 LEU 132 HD12 LEU 132 5.651 8.986 7.660 1033 3HD1 LEU 132 HD13 LEU 132 6.811 10.099 8.384 1034 1HD2 LEU 132 HD21 LEU 132 5.836 6.496 8.197 1035 2HD2 LEU 132 HD22 LEU 132 5.802 6.895 9.914 1036 3HD2 LEU 132 HD23 LEU 132 7.136 5.949 9.255 1037 H GLU 133 HN GLU 133 10.319 11.142 7.740 1038 HA GLU 133 HA GLU 133 12.002 9.913 9.814 1039 1HB GLU 133 HB2 GLU 133 12.455 12.513 8.341 1040 2HB GLU 133 HB1 GLU 133 13.601 11.666 9.368 1041 1HG GLU 133 HG2 GLU 133 13.877 9.935 7.775 1042 2HG GLU 133 HG1 GLU 133 12.516 10.518 6.814 1043 H HIS 134 HN HIS 134 12.384 11.053 11.766 1044 HA HIS 134 HA HIS 134 10.215 12.551 12.821 1045 1HB HIS 134 HB2 HIS 134 11.953 11.173 14.111 1046 2HB HIS 134 HB1 HIS 134 13.043 12.536 13.896 1047 HD1 HIS 134 HD1 HIS 134 11.523 11.244 16.552 1048 HD2 HIS 134 HD2 HIS 134 11.005 14.970 14.769 1049 HE1 HIS 134 HE1 HIS 134 10.571 12.730 18.345 1050 HE2 HIS 134 HE2 HIS 134 10.422 15.013 17.294 1051 H HIS 135 HN HIS 135 13.315 13.339 11.389 1052 HA HIS 135 HA HIS 135 12.881 16.192 11.770 1053 1HB HIS 135 HB2 HIS 135 15.123 16.524 11.025 1054 2HB HIS 135 HB1 HIS 135 15.144 15.142 12.107 1055 HD1 HIS 135 HD1 HIS 135 16.643 16.206 9.140 1056 HD2 HIS 135 HD2 HIS 135 14.921 12.611 10.323 1057 HE1 HIS 135 HE1 HIS 135 17.600 14.457 7.604 1058 HE2 HIS 135 HE2 HIS 135 16.375 12.335 8.196 1059 H HIS 136 HN HIS 136 11.301 14.374 9.906 1060 HA HIS 136 HA HIS 136 11.712 15.907 7.424 1061 1HB HIS 136 HB2 HIS 136 11.616 13.303 7.467 1062 2HB HIS 136 HB1 HIS 136 9.883 13.531 7.663 1063 HD1 HIS 136 HD1 HIS 136 12.485 13.293 5.156 1064 HD2 HIS 136 HD2 HIS 136 8.704 15.021 5.404 1065 HE1 HIS 136 HE1 HIS 136 11.766 13.713 2.777 1066 HE2 HIS 136 HE2 HIS 136 9.428 14.647 2.942 1067 H HIS 137 HN HIS 137 9.209 14.748 9.655 1068 HA HIS 137 HA HIS 137 7.352 16.791 8.717 1069 1HB HIS 137 HB2 HIS 137 6.475 14.540 9.271 1070 2HB HIS 137 HB1 HIS 137 7.049 14.731 10.924 1071 HD1 HIS 137 HD1 HIS 137 5.735 16.393 12.451 1072 HD2 HIS 137 HD2 HIS 137 4.071 15.819 8.685 1073 HE1 HIS 137 HE1 HIS 137 3.405 17.328 12.591 1074 HE2 HIS 137 HE2 HIS 137 2.362 16.823 10.352 1075 H HIS 138 HN HIS 138 7.341 18.766 9.597 1076 HA HIS 138 HA HIS 138 8.504 19.104 12.277 1077 1HB HIS 138 HB2 HIS 138 9.827 21.010 11.523 1078 2HB HIS 138 HB1 HIS 138 10.262 19.572 10.604 1079 HD1 HIS 138 HD1 HIS 138 8.873 22.994 10.230 1080 HD2 HIS 138 HD2 HIS 138 9.420 19.606 7.884 1081 HE1 HIS 138 HE1 HIS 138 8.536 23.753 7.861 1082 HE2 HIS 138 HE2 HIS 138 9.097 21.738 6.452 1083 H HIS 139 HN HIS 139 7.975 21.125 13.295 1084 HA HIS 139 HA HIS 139 5.395 22.194 12.511 1085 1HB HIS 139 HB2 HIS 139 5.797 21.848 14.890 1086 2HB HIS 139 HB1 HIS 139 7.239 22.854 14.828 1087 HD1 HIS 139 HD1 HIS 139 3.497 23.047 14.923 1088 HD2 HIS 139 HD2 HIS 139 6.769 25.616 14.862 1089 HE1 HIS 139 HE1 HIS 139 2.581 25.327 15.453 1090 HE2 HIS 139 HE2 HIS 139 4.542 26.890 15.192 Start of MODEL 10 1 1H MET 1 HT1 MET 1 20.953 2.873 14.719 2 2H MET 1 HT2 MET 1 22.624 3.112 14.812 3 3H MET 1 HT3 MET 1 21.861 3.038 13.295 4 HA MET 1 HA MET 1 21.501 5.145 15.354 5 1HB MET 1 HB2 MET 1 23.629 5.322 14.176 6 2HB MET 1 HB1 MET 1 22.812 5.171 12.627 7 1HG MET 1 HG2 MET 1 21.631 7.292 13.092 8 2HG MET 1 HG1 MET 1 22.572 7.452 14.574 9 1HE MET 1 HE1 MET 1 24.452 7.434 10.356 10 2HE MET 1 HE2 MET 1 22.724 7.252 10.653 11 3HE MET 1 HE3 MET 1 23.842 5.983 11.151 12 H GLY 2 HN GLY 2 21.021 4.758 11.851 13 1HA GLY 2 HA2 GLY 2 18.165 5.406 12.224 14 2HA GLY 2 HA1 GLY 2 19.122 6.240 10.997 15 H ASP 3 HN ASP 3 18.880 2.914 12.106 16 HA ASP 3 HA ASP 3 18.562 1.984 9.349 17 1HB ASP 3 HB2 ASP 3 20.451 0.296 9.978 18 2HB ASP 3 HB1 ASP 3 20.897 1.928 9.483 19 H LYS 4 HN LYS 4 17.478 1.875 12.406 20 HA LYS 4 HA LYS 4 16.774 -0.973 12.261 21 1HB LYS 4 HB2 LYS 4 18.245 -0.551 14.152 22 2HB LYS 4 HB1 LYS 4 17.195 0.742 14.714 23 1HG LYS 4 HG2 LYS 4 15.479 -0.788 15.296 24 2HG LYS 4 HG1 LYS 4 16.299 -2.117 14.476 25 1HD LYS 4 HD2 LYS 4 16.548 -2.205 16.935 26 2HD LYS 4 HD1 LYS 4 18.092 -2.067 16.094 27 1HE LYS 4 HE2 LYS 4 18.129 0.335 16.559 28 2HE LYS 4 HE1 LYS 4 16.583 0.198 17.397 29 1HZ LYS 4 HZ1 LYS 4 18.538 0.212 18.893 30 2HZ LYS 4 HZ2 LYS 4 19.046 -1.251 18.203 31 3HZ LYS 4 HZ3 LYS 4 17.580 -1.180 19.052 32 H GLU 5 HN GLU 5 14.795 -1.178 11.613 33 HA GLU 5 HA GLU 5 12.564 -0.984 11.365 34 1HB GLU 5 HB2 GLU 5 12.489 -1.029 13.842 35 2HB GLU 5 HB1 GLU 5 12.643 0.721 13.863 36 1HG GLU 5 HG2 GLU 5 10.517 0.907 12.646 37 2HG GLU 5 HG1 GLU 5 10.358 -0.849 12.684 38 H GLU 6 HN GLU 6 13.070 0.146 9.454 39 HA GLU 6 HA GLU 6 12.866 3.067 9.551 40 1HB GLU 6 HB2 GLU 6 13.579 1.192 7.287 41 2HB GLU 6 HB1 GLU 6 13.525 2.942 7.156 42 1HG GLU 6 HG2 GLU 6 15.353 3.167 8.690 43 2HG GLU 6 HG1 GLU 6 15.345 1.433 9.013 44 H SER 7 HN SER 7 11.151 4.154 8.737 45 HA SER 7 HA SER 7 8.932 2.570 7.682 46 1HB SER 7 HB2 SER 7 8.473 4.154 9.559 47 2HB SER 7 HB1 SER 7 8.982 5.487 8.524 48 HG SER 7 HG SER 7 6.588 4.673 8.733 49 H LYS 8 HN LYS 8 8.882 2.360 5.550 50 HA LYS 8 HA LYS 8 10.066 4.497 3.900 51 1HB LYS 8 HB2 LYS 8 10.921 1.950 4.047 52 2HB LYS 8 HB1 LYS 8 9.688 1.754 2.814 53 1HG LYS 8 HG2 LYS 8 11.774 2.095 1.724 54 2HG LYS 8 HG1 LYS 8 10.813 3.559 1.507 55 1HD LYS 8 HD2 LYS 8 12.061 4.729 3.149 56 2HD LYS 8 HD1 LYS 8 12.840 3.249 3.710 57 1HE LYS 8 HE2 LYS 8 13.202 4.398 0.946 58 2HE LYS 8 HE1 LYS 8 14.281 4.738 2.297 59 1HZ LYS 8 HZ1 LYS 8 13.838 2.160 0.900 60 2HZ LYS 8 HZ2 LYS 8 14.537 2.225 2.447 61 3HZ LYS 8 HZ3 LYS 8 15.290 3.002 1.146 62 H LYS 9 HN LYS 9 8.198 5.688 3.551 63 HA LYS 9 HA LYS 9 5.914 4.331 2.334 64 1HB LYS 9 HB2 LYS 9 5.485 6.040 4.091 65 2HB LYS 9 HB1 LYS 9 6.266 7.248 3.081 66 1HG LYS 9 HG2 LYS 9 4.505 6.682 1.324 67 2HG LYS 9 HG1 LYS 9 3.658 5.837 2.619 68 1HD LYS 9 HD2 LYS 9 4.484 8.737 2.738 69 2HD LYS 9 HD1 LYS 9 2.890 8.185 2.232 70 1HE LYS 9 HE2 LYS 9 4.110 7.553 4.914 71 2HE LYS 9 HE1 LYS 9 3.063 8.938 4.621 72 1HZ LYS 9 HZ1 LYS 9 1.784 7.142 5.521 73 2HZ LYS 9 HZ2 LYS 9 2.336 6.072 4.334 74 3HZ LYS 9 HZ3 LYS 9 1.315 7.357 3.904 75 H PHE 10 HN PHE 10 5.847 4.155 0.156 76 HA PHE 10 HA PHE 10 7.103 6.327 -1.378 77 1HB PHE 10 HB2 PHE 10 7.377 4.917 -3.212 78 2HB PHE 10 HB1 PHE 10 7.663 3.819 -1.871 79 HD1 PHE 10 HD1 PHE 10 5.141 4.889 -4.360 80 HD2 PHE 10 HD2 PHE 10 6.344 1.889 -1.595 81 HE1 PHE 10 HE1 PHE 10 3.431 3.377 -5.268 82 HE2 PHE 10 HE2 PHE 10 4.634 0.372 -2.501 83 HZ PHE 10 HZ PHE 10 3.171 1.120 -4.337 84 H SER 11 HN SER 11 5.826 7.571 -2.742 85 HA SER 11 HA SER 11 2.975 6.878 -2.754 86 1HB SER 11 HB2 SER 11 3.146 8.383 -0.901 87 2HB SER 11 HB1 SER 11 4.090 9.527 -1.837 88 HG SER 11 HG SER 11 1.357 8.849 -2.154 89 H ALA 12 HN ALA 12 2.000 7.131 -4.596 90 HA ALA 12 HA ALA 12 3.067 9.012 -6.581 91 1HB ALA 12 HB1 ALA 12 3.875 6.778 -7.179 92 2HB ALA 12 HB2 ALA 12 2.724 7.391 -8.366 93 3HB ALA 12 HB3 ALA 12 2.215 6.181 -7.186 94 H ASN 13 HN ASN 13 1.527 10.235 -7.474 95 HA ASN 13 HA ASN 13 -1.251 9.640 -6.705 96 1HB ASN 13 HB2 ASN 13 -0.035 12.290 -7.542 97 2HB ASN 13 HB1 ASN 13 -1.681 12.040 -6.978 98 1HD2 ASN 13 HD21 ASN 13 -1.456 13.477 -5.287 99 2HD2 ASN 13 HD22 ASN 13 -0.496 13.137 -3.887 100 H LEU 14 HN LEU 14 -2.101 8.470 -8.360 101 HA LEU 14 HA LEU 14 -1.983 9.665 -11.029 102 1HB LEU 14 HB2 LEU 14 -1.580 7.383 -11.991 103 2HB LEU 14 HB1 LEU 14 -0.224 8.098 -11.143 104 HG LEU 14 HG LEU 14 -1.162 6.660 -9.125 105 1HD1 LEU 14 HD11 LEU 14 -2.106 5.119 -11.537 106 2HD1 LEU 14 HD12 LEU 14 -3.130 5.831 -10.290 107 3HD1 LEU 14 HD13 LEU 14 -2.036 4.508 -9.884 108 1HD2 LEU 14 HD21 LEU 14 0.431 5.510 -11.411 109 2HD2 LEU 14 HD22 LEU 14 0.388 4.883 -9.764 110 3HD2 LEU 14 HD23 LEU 14 1.068 6.479 -10.083 111 H ASN 15 HN ASN 15 -3.784 9.482 -12.221 112 HA ASN 15 HA ASN 15 -5.908 9.014 -12.864 113 1HB ASN 15 HB2 ASN 15 -4.864 6.696 -12.955 114 2HB ASN 15 HB1 ASN 15 -5.610 6.388 -11.391 115 1HD2 ASN 15 HD21 ASN 15 -6.896 4.740 -12.191 116 2HD2 ASN 15 HD22 ASN 15 -8.243 5.039 -13.231 117 H GLY 16 HN GLY 16 -5.435 10.319 -10.255 118 1HA GLY 16 HA2 GLY 16 -6.787 11.174 -8.591 119 2HA GLY 16 HA1 GLY 16 -8.118 10.239 -9.257 120 H THR 17 HN THR 17 -5.391 8.359 -8.643 121 HA THR 17 HA THR 17 -6.420 7.567 -5.999 122 HB THR 17 HB THR 17 -4.894 5.774 -7.897 123 HG1 THR 17 HG1 THR 17 -7.280 6.635 -8.331 124 1HG2 THR 17 HG21 THR 17 -6.586 5.192 -5.464 125 2HG2 THR 17 HG22 THR 17 -4.827 5.121 -5.541 126 3HG2 THR 17 HG23 THR 17 -5.798 3.984 -6.477 127 H GLU 18 HN GLU 18 -5.095 8.718 -4.688 128 HA GLU 18 HA GLU 18 -2.277 8.969 -5.299 129 1HB GLU 18 HB2 GLU 18 -3.548 9.862 -2.722 130 2HB GLU 18 HB1 GLU 18 -2.178 10.562 -3.577 131 1HG GLU 18 HG2 GLU 18 -3.927 11.060 -5.434 132 2HG GLU 18 HG1 GLU 18 -5.101 10.830 -4.139 133 H ILE 19 HN ILE 19 -1.257 7.068 -5.088 134 HA ILE 19 HA ILE 19 -1.958 5.256 -2.909 135 HB ILE 19 HB ILE 19 -0.060 4.837 -5.230 136 1HG1 ILE 19 HG12 ILE 19 -2.912 3.888 -4.882 137 2HG1 ILE 19 HG11 ILE 19 -2.416 5.211 -5.928 138 1HG2 ILE 19 HG21 ILE 19 -0.240 2.464 -4.682 139 2HG2 ILE 19 HG22 ILE 19 -1.252 2.859 -3.292 140 3HG2 ILE 19 HG23 ILE 19 0.431 3.388 -3.338 141 1HD1 ILE 19 HD11 ILE 19 -1.589 2.331 -6.208 142 2HD1 ILE 19 HD12 ILE 19 -1.090 3.655 -7.261 143 3HD1 ILE 19 HD13 ILE 19 -2.785 3.173 -7.192 144 H ALA 20 HN ALA 20 -0.799 5.162 -1.087 145 HA ALA 20 HA ALA 20 2.086 5.645 -1.274 146 1HB ALA 20 HB1 ALA 20 1.502 6.561 1.249 147 2HB ALA 20 HB2 ALA 20 0.179 7.203 0.275 148 3HB ALA 20 HB3 ALA 20 1.844 7.559 -0.160 149 H ILE 21 HN ILE 21 2.783 3.626 -0.993 150 HA ILE 21 HA ILE 21 1.643 1.998 1.144 151 HB ILE 21 HB ILE 21 3.641 1.309 -1.014 152 1HG1 ILE 21 HG12 ILE 21 0.793 0.398 -0.535 153 2HG1 ILE 21 HG11 ILE 21 1.296 1.565 -1.752 154 1HG2 ILE 21 HG21 ILE 21 2.479 -0.484 1.115 155 2HG2 ILE 21 HG22 ILE 21 4.146 0.086 1.049 156 3HG2 ILE 21 HG23 ILE 21 3.531 -0.986 -0.209 157 1HD1 ILE 21 HD11 ILE 21 0.900 -0.627 -2.724 158 2HD1 ILE 21 HD12 ILE 21 2.110 -1.331 -1.651 159 3HD1 ILE 21 HD13 ILE 21 2.595 -0.161 -2.879 160 H THR 22 HN THR 22 2.448 2.164 3.060 161 HA THR 22 HA THR 22 5.195 3.120 3.453 162 HB THR 22 HB THR 22 3.056 2.882 5.563 163 HG1 THR 22 HG1 THR 22 2.686 4.247 3.467 164 1HG2 THR 22 HG21 THR 22 5.482 4.661 5.270 165 2HG2 THR 22 HG22 THR 22 5.318 3.291 6.368 166 3HG2 THR 22 HG23 THR 22 4.325 4.730 6.597 167 H TYR 23 HN TYR 23 6.477 1.312 3.436 168 HA TYR 23 HA TYR 23 5.571 -0.938 5.086 169 1HB TYR 23 HB2 TYR 23 7.345 -2.250 3.814 170 2HB TYR 23 HB1 TYR 23 5.917 -1.763 2.914 171 HD1 TYR 23 HD1 TYR 23 9.518 -1.434 3.238 172 HD2 TYR 23 HD2 TYR 23 6.068 0.041 1.237 173 HE1 TYR 23 HE1 TYR 23 10.953 -0.418 1.522 174 HE2 TYR 23 HE2 TYR 23 7.493 1.068 -0.479 175 HH TYR 23 HH TYR 23 9.753 1.814 -0.789 176 H VAL 24 HN VAL 24 6.555 -1.428 6.863 177 HA VAL 24 HA VAL 24 8.970 0.021 7.631 178 HB VAL 24 HB VAL 24 6.922 -1.547 9.186 179 1HG1 VAL 24 HG11 VAL 24 8.165 -1.176 11.220 180 2HG1 VAL 24 HG12 VAL 24 9.460 -0.387 10.315 181 3HG1 VAL 24 HG13 VAL 24 9.142 -2.108 10.085 182 1HG2 VAL 24 HG21 VAL 24 7.849 1.310 9.354 183 2HG2 VAL 24 HG22 VAL 24 6.602 0.570 10.358 184 3HG2 VAL 24 HG23 VAL 24 6.349 0.745 8.621 185 H TYR 25 HN TYR 25 10.885 -0.922 7.442 186 HA TYR 25 HA TYR 25 10.964 -3.863 7.354 187 1HB TYR 25 HB2 TYR 25 12.505 -3.822 5.490 188 2HB TYR 25 HB1 TYR 25 11.043 -2.944 5.060 189 HD1 TYR 25 HD1 TYR 25 14.557 -2.878 5.032 190 HD2 TYR 25 HD2 TYR 25 11.178 -0.323 5.422 191 HE1 TYR 25 HE1 TYR 25 15.934 -0.962 4.340 192 HE2 TYR 25 HE2 TYR 25 12.547 1.600 4.731 193 HH TYR 25 HH TYR 25 15.391 2.002 4.888 194 H LYS 26 HN LYS 26 13.127 -4.761 7.602 195 HA LYS 26 HA LYS 26 15.036 -3.081 9.020 196 1HB LYS 26 HB2 LYS 26 13.366 -5.133 10.261 197 2HB LYS 26 HB1 LYS 26 15.083 -5.418 10.516 198 1HG LYS 26 HG2 LYS 26 15.347 -3.233 11.497 199 2HG LYS 26 HG1 LYS 26 13.678 -2.820 11.112 200 1HD LYS 26 HD2 LYS 26 14.470 -5.080 12.946 201 2HD LYS 26 HD1 LYS 26 14.080 -3.452 13.503 202 1HE LYS 26 HE2 LYS 26 11.859 -3.688 12.385 203 2HE LYS 26 HE1 LYS 26 12.263 -5.371 12.052 204 1HZ LYS 26 HZ1 LYS 26 12.543 -5.661 14.494 205 2HZ LYS 26 HZ2 LYS 26 10.957 -5.300 14.022 206 3HZ LYS 26 HZ3 LYS 26 11.931 -4.095 14.715 207 H GLY 27 HN GLY 27 16.633 -3.268 7.573 208 1HA GLY 27 HA2 GLY 27 18.417 -4.330 6.517 209 2HA GLY 27 HA1 GLY 27 17.790 -5.883 7.059 210 H ASP 28 HN ASP 28 17.838 -6.957 5.098 211 HA ASP 28 HA ASP 28 16.497 -5.772 2.806 212 1HB ASP 28 HB2 ASP 28 17.799 -8.480 3.175 213 2HB ASP 28 HB1 ASP 28 17.045 -7.946 1.677 214 H LYS 29 HN LYS 29 15.349 -6.934 5.509 215 HA LYS 29 HA LYS 29 13.278 -8.625 4.292 216 1HB LYS 29 HB2 LYS 29 14.862 -9.210 6.426 217 2HB LYS 29 HB1 LYS 29 13.487 -8.482 7.236 218 1HG LYS 29 HG2 LYS 29 13.391 -10.834 5.361 219 2HG LYS 29 HG1 LYS 29 13.243 -10.888 7.117 220 1HD LYS 29 HD2 LYS 29 11.214 -9.498 6.962 221 2HD LYS 29 HD1 LYS 29 11.353 -9.523 5.204 222 1HE LYS 29 HE2 LYS 29 11.108 -11.950 5.218 223 2HE LYS 29 HE1 LYS 29 10.997 -11.931 6.979 224 1HZ LYS 29 HZ1 LYS 29 8.829 -12.052 5.763 225 2HZ LYS 29 HZ2 LYS 29 9.104 -10.465 5.234 226 3HZ LYS 29 HZ3 LYS 29 8.953 -10.789 6.883 227 H VAL 30 HN VAL 30 11.546 -7.424 3.793 228 HA VAL 30 HA VAL 30 10.674 -5.228 5.451 229 HB VAL 30 HB VAL 30 9.103 -6.596 3.259 230 1HG1 VAL 30 HG11 VAL 30 8.925 -3.825 4.441 231 2HG1 VAL 30 HG12 VAL 30 7.791 -5.149 4.712 232 3HG1 VAL 30 HG13 VAL 30 7.950 -4.438 3.105 233 1HG2 VAL 30 HG21 VAL 30 11.264 -5.888 2.369 234 2HG2 VAL 30 HG22 VAL 30 11.008 -4.268 3.016 235 3HG2 VAL 30 HG23 VAL 30 9.961 -4.881 1.736 236 H LEU 31 HN LEU 31 9.283 -5.369 7.127 237 HA LEU 31 HA LEU 31 8.295 -8.072 7.736 238 1HB LEU 31 HB2 LEU 31 9.023 -5.828 9.620 239 2HB LEU 31 HB1 LEU 31 8.440 -7.410 10.103 240 HG LEU 31 HG LEU 31 11.022 -6.914 8.613 241 1HD1 LEU 31 HD11 LEU 31 10.559 -7.586 11.510 242 2HD1 LEU 31 HD12 LEU 31 11.130 -6.039 10.883 243 3HD1 LEU 31 HD13 LEU 31 12.125 -7.487 10.703 244 1HD2 LEU 31 HD21 LEU 31 11.501 -9.244 9.150 245 2HD2 LEU 31 HD22 LEU 31 10.057 -9.095 8.148 246 3HD2 LEU 31 HD23 LEU 31 9.902 -9.407 9.878 247 H LYS 32 HN LYS 32 7.421 -4.680 7.605 248 HA LYS 32 HA LYS 32 4.613 -5.475 7.979 249 1HB LYS 32 HB2 LYS 32 6.042 -3.114 9.183 250 2HB LYS 32 HB1 LYS 32 4.295 -3.221 9.098 251 1HG LYS 32 HG2 LYS 32 5.943 -5.335 10.430 252 2HG LYS 32 HG1 LYS 32 5.437 -3.872 11.278 253 1HD LYS 32 HD2 LYS 32 3.078 -4.435 10.603 254 2HD LYS 32 HD1 LYS 32 3.693 -5.996 10.052 255 1HE LYS 32 HE2 LYS 32 4.190 -4.972 12.826 256 2HE LYS 32 HE1 LYS 32 2.726 -5.868 12.413 257 1HZ LYS 32 HZ1 LYS 32 4.376 -7.349 13.299 258 2HZ LYS 32 HZ2 LYS 32 5.523 -6.848 12.161 259 3HZ LYS 32 HZ3 LYS 32 4.148 -7.707 11.658 260 H GLN 33 HN GLN 33 3.106 -4.357 6.776 261 HA GLN 33 HA GLN 33 4.115 -2.310 4.928 262 1HB GLN 33 HB2 GLN 33 4.057 -4.453 3.743 263 2HB GLN 33 HB1 GLN 33 2.374 -4.669 4.191 264 1HG GLN 33 HG2 GLN 33 1.779 -2.686 2.888 265 2HG GLN 33 HG1 GLN 33 3.469 -2.492 2.425 266 1HE2 GLN 33 HE21 GLN 33 3.009 -2.713 0.251 267 2HE2 GLN 33 HE22 GLN 33 2.589 -4.227 -0.456 268 H SER 34 HN SER 34 2.771 -0.609 4.698 269 HA SER 34 HA SER 34 -0.061 -0.985 5.379 270 1HB SER 34 HB2 SER 34 1.557 1.566 5.630 271 2HB SER 34 HB1 SER 34 -0.143 1.364 6.057 272 HG SER 34 HG SER 34 1.353 -0.502 7.290 273 H SER 35 HN SER 35 -1.162 -1.085 3.541 274 HA SER 35 HA SER 35 -0.226 0.425 1.211 275 1HB SER 35 HB2 SER 35 -2.410 -1.672 1.392 276 2HB SER 35 HB1 SER 35 -1.730 -0.990 -0.087 277 HG SER 35 HG SER 35 -0.914 -3.126 0.800 278 H GLU 36 HN GLU 36 -0.915 2.446 1.384 279 HA GLU 36 HA GLU 36 -3.679 2.917 2.247 280 1HB GLU 36 HB2 GLU 36 -2.462 3.843 3.938 281 2HB GLU 36 HB1 GLU 36 -1.080 4.158 2.916 282 1HG GLU 36 HG2 GLU 36 -2.349 6.074 1.932 283 2HG GLU 36 HG1 GLU 36 -3.599 5.779 3.147 284 H THR 37 HN THR 37 -4.867 3.336 0.544 285 HA THR 37 HA THR 37 -3.750 4.967 -1.639 286 HB THR 37 HB THR 37 -5.684 3.959 -2.962 287 HG1 THR 37 HG1 THR 37 -6.049 1.720 -1.736 288 1HG2 THR 37 HG21 THR 37 -3.570 2.071 -1.914 289 2HG2 THR 37 HG22 THR 37 -3.367 3.204 -3.249 290 3HG2 THR 37 HG23 THR 37 -4.499 1.860 -3.399 291 H LYS 38 HN LYS 38 -4.727 6.841 -2.171 292 HA LYS 38 HA LYS 38 -7.211 7.536 -0.762 293 1HB LYS 38 HB2 LYS 38 -5.309 9.009 -0.320 294 2HB LYS 38 HB1 LYS 38 -5.130 9.307 -2.042 295 1HG LYS 38 HG2 LYS 38 -7.349 10.369 -2.066 296 2HG LYS 38 HG1 LYS 38 -7.462 10.119 -0.320 297 1HD LYS 38 HD2 LYS 38 -5.584 11.526 0.075 298 2HD LYS 38 HD1 LYS 38 -5.218 11.612 -1.644 299 1HE LYS 38 HE2 LYS 38 -7.485 12.706 -1.922 300 2HE LYS 38 HE1 LYS 38 -7.510 12.861 -0.163 301 1HZ LYS 38 HZ1 LYS 38 -6.653 14.864 -1.191 302 2HZ LYS 38 HZ2 LYS 38 -5.446 13.974 -1.984 303 3HZ LYS 38 HZ3 LYS 38 -5.426 14.104 -0.295 304 H ILE 39 HN ILE 39 -8.835 6.873 -2.044 305 HA ILE 39 HA ILE 39 -8.608 7.245 -4.940 306 HB ILE 39 HB ILE 39 -10.737 5.757 -3.388 307 1HG1 ILE 39 HG12 ILE 39 -9.490 3.770 -4.605 308 2HG1 ILE 39 HG11 ILE 39 -8.129 4.882 -4.560 309 1HG2 ILE 39 HG21 ILE 39 -10.130 5.822 -6.340 310 2HG2 ILE 39 HG22 ILE 39 -11.530 6.539 -5.542 311 3HG2 ILE 39 HG23 ILE 39 -11.328 4.787 -5.562 312 1HD1 ILE 39 HD11 ILE 39 -9.685 3.909 -2.180 313 2HD1 ILE 39 HD12 ILE 39 -8.315 5.018 -2.137 314 3HD1 ILE 39 HD13 ILE 39 -8.087 3.356 -2.679 315 H GLN 40 HN GLN 40 -9.463 8.990 -5.833 316 HA GLN 40 HA GLN 40 -11.346 10.670 -4.486 317 1HB GLN 40 HB2 GLN 40 -10.503 10.637 -7.392 318 2HB GLN 40 HB1 GLN 40 -11.418 11.918 -6.612 319 1HG GLN 40 HG2 GLN 40 -8.604 11.100 -5.925 320 2HG GLN 40 HG1 GLN 40 -9.071 12.509 -6.875 321 1HE2 GLN 40 HE21 GLN 40 -8.828 11.136 -3.714 322 2HE2 GLN 40 HE22 GLN 40 -9.223 12.573 -2.837 323 H PHE 41 HN PHE 41 -13.550 10.906 -4.856 324 HA PHE 41 HA PHE 41 -15.021 8.634 -5.544 325 1HB PHE 41 HB2 PHE 41 -15.701 11.497 -5.078 326 2HB PHE 41 HB1 PHE 41 -16.918 10.473 -5.831 327 HD1 PHE 41 HD1 PHE 41 -14.638 8.882 -3.512 328 HD2 PHE 41 HD2 PHE 41 -18.346 10.939 -3.873 329 HE1 PHE 41 HE1 PHE 41 -15.316 8.044 -1.299 330 HE2 PHE 41 HE2 PHE 41 -19.028 10.108 -1.661 331 HZ PHE 41 HZ PHE 41 -17.512 8.657 -0.371 332 H ALA 42 HN ALA 42 -13.952 11.326 -7.506 333 HA ALA 42 HA ALA 42 -15.589 10.810 -9.753 334 1HB ALA 42 HB1 ALA 42 -14.466 12.954 -9.396 335 2HB ALA 42 HB2 ALA 42 -14.058 12.266 -10.967 336 3HB ALA 42 HB3 ALA 42 -12.903 12.175 -9.638 337 H SER 43 HN SER 43 -12.577 9.446 -8.642 338 HA SER 43 HA SER 43 -11.893 8.261 -11.167 339 1HB SER 43 HB2 SER 43 -10.779 7.738 -8.402 340 2HB SER 43 HB1 SER 43 -10.057 7.215 -9.925 341 HG SER 43 HG SER 43 -9.157 9.091 -10.038 342 H ILE 44 HN ILE 44 -13.218 7.096 -8.083 343 HA ILE 44 HA ILE 44 -13.461 4.393 -8.982 344 HB ILE 44 HB ILE 44 -13.277 4.805 -6.616 345 1HG1 ILE 44 HG12 ILE 44 -16.039 3.792 -7.328 346 2HG1 ILE 44 HG11 ILE 44 -14.565 2.834 -7.248 347 1HG2 ILE 44 HG21 ILE 44 -15.027 5.943 -5.332 348 2HG2 ILE 44 HG22 ILE 44 -15.857 6.345 -6.836 349 3HG2 ILE 44 HG23 ILE 44 -14.258 7.014 -6.505 350 1HD1 ILE 44 HD11 ILE 44 -14.427 3.236 -4.852 351 2HD1 ILE 44 HD12 ILE 44 -15.965 2.493 -5.291 352 3HD1 ILE 44 HD13 ILE 44 -15.890 4.218 -4.927 353 H GLY 45 HN GLY 45 -15.408 7.244 -9.231 354 1HA GLY 45 HA2 GLY 45 -17.236 7.597 -10.615 355 2HA GLY 45 HA1 GLY 45 -17.245 5.880 -10.993 356 H ALA 46 HN ALA 46 -17.188 6.922 -7.709 357 HA ALA 46 HA ALA 46 -19.595 5.482 -7.141 358 1HB ALA 46 HB1 ALA 46 -17.708 5.487 -5.582 359 2HB ALA 46 HB2 ALA 46 -19.175 6.099 -4.819 360 3HB ALA 46 HB3 ALA 46 -17.916 7.221 -5.335 361 H THR 47 HN THR 47 -21.542 6.277 -6.401 362 HA THR 47 HA THR 47 -22.207 8.955 -7.291 363 HB THR 47 HB THR 47 -23.986 6.909 -5.946 364 HG1 THR 47 HG1 THR 47 -22.923 6.302 -8.032 365 1HG2 THR 47 HG21 THR 47 -24.889 9.186 -5.919 366 2HG2 THR 47 HG22 THR 47 -25.810 8.152 -7.009 367 3HG2 THR 47 HG23 THR 47 -24.648 9.307 -7.662 368 H THR 48 HN THR 48 -22.333 7.142 -4.244 369 HA THR 48 HA THR 48 -21.883 9.625 -2.770 370 HB THR 48 HB THR 48 -23.477 8.816 -1.002 371 HG1 THR 48 HG1 THR 48 -25.118 7.304 -1.882 372 1HG2 THR 48 HG21 THR 48 -24.139 10.595 -2.532 373 2HG2 THR 48 HG22 THR 48 -25.515 9.554 -2.167 374 3HG2 THR 48 HG23 THR 48 -24.679 9.400 -3.712 375 H LYS 49 HN LYS 49 -21.605 8.830 -0.280 376 HA LYS 49 HA LYS 49 -19.216 7.335 -0.277 377 1HB LYS 49 HB2 LYS 49 -19.556 7.393 2.265 378 2HB LYS 49 HB1 LYS 49 -19.366 8.920 1.418 379 1HG LYS 49 HG2 LYS 49 -21.809 9.215 1.451 380 2HG LYS 49 HG1 LYS 49 -21.955 7.718 2.374 381 1HD LYS 49 HD2 LYS 49 -20.768 8.645 4.219 382 2HD LYS 49 HD1 LYS 49 -20.292 10.059 3.280 383 1HE LYS 49 HE2 LYS 49 -22.080 10.650 4.788 384 2HE LYS 49 HE1 LYS 49 -22.656 10.724 3.124 385 1HZ LYS 49 HZ1 LYS 49 -23.234 8.652 5.163 386 2HZ LYS 49 HZ2 LYS 49 -23.546 8.410 3.513 387 3HZ LYS 49 HZ3 LYS 49 -24.329 9.659 4.347 388 H GLU 50 HN GLU 50 -22.552 6.402 0.331 389 HA GLU 50 HA GLU 50 -21.938 3.830 1.384 390 1HB GLU 50 HB2 GLU 50 -24.145 4.894 1.716 391 2HB GLU 50 HB1 GLU 50 -24.458 4.763 -0.010 392 1HG GLU 50 HG2 GLU 50 -24.340 2.326 0.156 393 2HG GLU 50 HG1 GLU 50 -24.040 2.463 1.887 394 H ASP 51 HN ASP 51 -22.743 5.047 -1.834 395 HA ASP 51 HA ASP 51 -22.641 2.569 -3.178 396 1HB ASP 51 HB2 ASP 51 -23.690 4.546 -4.167 397 2HB ASP 51 HB1 ASP 51 -22.129 5.353 -4.223 398 H ALA 52 HN ALA 52 -20.190 4.876 -2.244 399 HA ALA 52 HA ALA 52 -18.040 3.791 -3.705 400 1HB ALA 52 HB1 ALA 52 -16.601 4.939 -2.104 401 2HB ALA 52 HB2 ALA 52 -17.977 5.189 -1.030 402 3HB ALA 52 HB3 ALA 52 -17.934 5.981 -2.606 403 H ALA 53 HN ALA 53 -19.340 3.065 -0.484 404 HA ALA 53 HA ALA 53 -17.340 1.185 0.203 405 1HB ALA 53 HB1 ALA 53 -18.748 2.280 1.881 406 2HB ALA 53 HB2 ALA 53 -18.782 0.520 2.021 407 3HB ALA 53 HB3 ALA 53 -20.144 1.377 1.289 408 H LYS 54 HN LYS 54 -20.588 0.795 -1.211 409 HA LYS 54 HA LYS 54 -20.563 -2.027 -1.189 410 1HB LYS 54 HB2 LYS 54 -22.416 -1.921 -2.755 411 2HB LYS 54 HB1 LYS 54 -22.621 -0.698 -1.509 412 1HG LYS 54 HG2 LYS 54 -21.708 0.982 -3.086 413 2HG LYS 54 HG1 LYS 54 -21.678 -0.263 -4.331 414 1HD LYS 54 HD2 LYS 54 -24.205 0.373 -2.849 415 2HD LYS 54 HD1 LYS 54 -23.692 1.352 -4.220 416 1HE LYS 54 HE2 LYS 54 -25.204 -0.279 -5.053 417 2HE LYS 54 HE1 LYS 54 -23.591 -0.759 -5.571 418 1HZ LYS 54 HZ1 LYS 54 -23.521 -2.453 -3.960 419 2HZ LYS 54 HZ2 LYS 54 -25.049 -2.575 -4.686 420 3HZ LYS 54 HZ3 LYS 54 -24.893 -1.868 -3.151 421 H THR 55 HN THR 55 -18.778 0.163 -3.023 422 HA THR 55 HA THR 55 -18.264 -1.764 -5.161 423 HB THR 55 HB THR 55 -17.191 1.052 -4.879 424 HG1 THR 55 HG1 THR 55 -19.434 1.174 -5.092 425 1HG2 THR 55 HG21 THR 55 -16.758 0.855 -7.284 426 2HG2 THR 55 HG22 THR 55 -17.362 -0.801 -7.259 427 3HG2 THR 55 HG23 THR 55 -15.892 -0.386 -6.378 428 H LEU 56 HN LEU 56 -16.599 0.012 -2.564 429 HA LEU 56 HA LEU 56 -14.044 -1.129 -3.261 430 1HB LEU 56 HB2 LEU 56 -14.906 0.653 -0.997 431 2HB LEU 56 HB1 LEU 56 -13.260 0.085 -1.203 432 HG LEU 56 HG LEU 56 -14.787 1.821 -3.142 433 1HD1 LEU 56 HD11 LEU 56 -14.130 2.998 -1.114 434 2HD1 LEU 56 HD12 LEU 56 -13.180 3.541 -2.497 435 3HD1 LEU 56 HD13 LEU 56 -12.469 2.438 -1.318 436 1HD2 LEU 56 HD21 LEU 56 -11.932 0.846 -3.229 437 2HD2 LEU 56 HD22 LEU 56 -12.676 1.982 -4.355 438 3HD2 LEU 56 HD23 LEU 56 -13.239 0.312 -4.287 439 H GLU 57 HN GLU 57 -16.462 -1.684 -0.732 440 HA GLU 57 HA GLU 57 -14.916 -3.089 1.071 441 1HB GLU 57 HB2 GLU 57 -17.832 -3.399 0.408 442 2HB GLU 57 HB1 GLU 57 -17.054 -4.309 1.696 443 1HG GLU 57 HG2 GLU 57 -16.277 -1.966 2.500 444 2HG GLU 57 HG1 GLU 57 -17.612 -1.389 1.508 445 HA PRO 58 HA PRO 58 -16.194 -7.245 -1.490 446 1HB PRO 58 HB2 PRO 58 -15.948 -5.771 -4.077 447 2HB PRO 58 HB1 PRO 58 -16.920 -7.192 -3.680 448 1HG PRO 58 HG2 PRO 58 -18.003 -4.743 -3.853 449 2HG PRO 58 HG1 PRO 58 -18.581 -5.947 -2.690 450 1HD PRO 58 HD2 PRO 58 -17.040 -3.472 -2.217 451 2HD PRO 58 HD1 PRO 58 -18.071 -4.395 -1.111 452 H LEU 59 HN LEU 59 -14.028 -4.629 -2.470 453 HA LEU 59 HA LEU 59 -12.033 -6.467 -3.477 454 1HB LEU 59 HB2 LEU 59 -12.188 -3.482 -3.218 455 2HB LEU 59 HB1 LEU 59 -10.664 -4.264 -3.575 456 HG LEU 59 HG LEU 59 -11.692 -5.250 -5.617 457 1HD1 LEU 59 HD11 LEU 59 -13.803 -4.358 -6.439 458 2HD1 LEU 59 HD12 LEU 59 -14.012 -3.450 -4.941 459 3HD1 LEU 59 HD13 LEU 59 -14.027 -5.214 -4.913 460 1HD2 LEU 59 HD21 LEU 59 -11.699 -3.171 -6.904 461 2HD2 LEU 59 HD22 LEU 59 -10.372 -3.212 -5.745 462 3HD2 LEU 59 HD23 LEU 59 -11.808 -2.246 -5.408 463 H SER 60 HN SER 60 -12.090 -4.006 -0.895 464 HA SER 60 HA SER 60 -9.585 -4.749 0.165 465 1HB SER 60 HB2 SER 60 -11.779 -3.326 1.670 466 2HB SER 60 HB1 SER 60 -10.033 -3.157 1.871 467 HG SER 60 HG SER 60 -9.906 -2.102 -0.092 468 H ALA 61 HN ALA 61 -12.808 -5.959 0.752 469 HA ALA 61 HA ALA 61 -12.275 -7.107 3.308 470 1HB ALA 61 HB1 ALA 61 -14.447 -7.818 1.345 471 2HB ALA 61 HB2 ALA 61 -14.544 -6.552 2.567 472 3HB ALA 61 HB3 ALA 61 -14.402 -8.240 3.057 473 H LYS 62 HN LYS 62 -11.101 -7.960 0.318 474 HA LYS 62 HA LYS 62 -11.174 -10.811 0.617 475 1HB LYS 62 HB2 LYS 62 -9.496 -9.009 -1.132 476 2HB LYS 62 HB1 LYS 62 -9.402 -10.762 -1.179 477 1HG LYS 62 HG2 LYS 62 -11.810 -10.822 -1.773 478 2HG LYS 62 HG1 LYS 62 -11.788 -9.059 -1.860 479 1HD LYS 62 HD2 LYS 62 -10.129 -9.133 -3.623 480 2HD LYS 62 HD1 LYS 62 -10.027 -10.889 -3.491 481 1HE LYS 62 HE2 LYS 62 -11.398 -10.401 -5.374 482 2HE LYS 62 HE1 LYS 62 -12.457 -10.985 -4.092 483 1HZ LYS 62 HZ1 LYS 62 -12.977 -8.646 -3.573 484 2HZ LYS 62 HZ2 LYS 62 -13.446 -9.095 -5.140 485 3HZ LYS 62 HZ3 LYS 62 -12.048 -8.160 -4.910 486 H TYR 63 HN TYR 63 -9.414 -8.333 2.074 487 HA TYR 63 HA TYR 63 -6.991 -9.849 2.484 488 1HB TYR 63 HB2 TYR 63 -7.926 -7.111 3.234 489 2HB TYR 63 HB1 TYR 63 -6.551 -7.813 4.081 490 HD1 TYR 63 HD1 TYR 63 -7.594 -6.026 1.182 491 HD2 TYR 63 HD2 TYR 63 -4.644 -8.718 2.639 492 HE1 TYR 63 HE1 TYR 63 -6.102 -5.391 -0.671 493 HE2 TYR 63 HE2 TYR 63 -3.148 -8.093 0.811 494 HH TYR 63 HH TYR 63 -3.588 -7.137 -1.661 495 H LYS 64 HN LYS 64 -9.958 -9.355 4.200 496 HA LYS 64 HA LYS 64 -8.784 -9.586 6.803 497 1HB LYS 64 HB2 LYS 64 -11.095 -9.462 7.633 498 2HB LYS 64 HB1 LYS 64 -10.699 -8.171 6.511 499 1HG LYS 64 HG2 LYS 64 -11.801 -9.681 4.738 500 2HG LYS 64 HG1 LYS 64 -12.500 -10.522 6.122 501 1HD LYS 64 HD2 LYS 64 -12.750 -7.558 5.602 502 2HD LYS 64 HD1 LYS 64 -13.968 -8.753 5.168 503 1HE LYS 64 HE2 LYS 64 -14.674 -7.774 7.203 504 2HE LYS 64 HE1 LYS 64 -14.069 -9.377 7.606 505 1HZ LYS 64 HZ1 LYS 64 -13.396 -7.350 9.040 506 2HZ LYS 64 HZ2 LYS 64 -12.268 -7.047 7.807 507 3HZ LYS 64 HZ3 LYS 64 -12.232 -8.517 8.654 508 H ASN 65 HN ASN 65 -8.359 -11.871 5.071 509 HA ASN 65 HA ASN 65 -9.263 -13.884 7.020 510 1HB ASN 65 HB2 ASN 65 -10.386 -14.221 4.824 511 2HB ASN 65 HB1 ASN 65 -8.807 -14.372 4.063 512 1HD2 ASN 65 HD21 ASN 65 -11.146 -15.875 6.154 513 2HD2 ASN 65 HD22 ASN 65 -10.429 -17.456 6.153 514 H ILE 66 HN ILE 66 -6.688 -12.234 5.617 515 HA ILE 66 HA ILE 66 -4.793 -14.451 5.717 516 HB ILE 66 HB ILE 66 -3.943 -11.637 5.135 517 1HG1 ILE 66 HG12 ILE 66 -5.308 -13.408 3.094 518 2HG1 ILE 66 HG11 ILE 66 -6.091 -12.043 3.886 519 1HG2 ILE 66 HG21 ILE 66 -2.262 -13.389 5.154 520 2HG2 ILE 66 HG22 ILE 66 -2.490 -12.798 3.507 521 3HG2 ILE 66 HG23 ILE 66 -3.201 -14.335 3.998 522 1HD1 ILE 66 HD11 ILE 66 -4.505 -10.518 2.902 523 2HD1 ILE 66 HD12 ILE 66 -5.260 -11.499 1.646 524 3HD1 ILE 66 HD13 ILE 66 -3.617 -11.862 2.184 525 H ALA 67 HN ALA 67 -2.462 -13.108 6.514 526 HA ALA 67 HA ALA 67 -2.967 -13.004 9.395 527 1HB ALA 67 HB1 ALA 67 -1.345 -14.650 8.482 528 2HB ALA 67 HB2 ALA 67 -0.663 -13.563 9.692 529 3HB ALA 67 HB3 ALA 67 -0.324 -13.299 7.981 530 H GLY 68 HN GLY 68 -2.795 -11.200 10.527 531 1HA GLY 68 HA2 GLY 68 -2.118 -9.136 11.245 532 2HA GLY 68 HA1 GLY 68 -0.673 -9.381 10.279 533 H VAL 69 HN VAL 69 -3.797 -9.405 8.780 534 HA VAL 69 HA VAL 69 -3.095 -6.870 7.492 535 HB VAL 69 HB VAL 69 -4.807 -7.602 5.745 536 1HG1 VAL 69 HG11 VAL 69 -3.174 -9.007 4.587 537 2HG1 VAL 69 HG12 VAL 69 -2.298 -9.245 6.098 538 3HG1 VAL 69 HG13 VAL 69 -2.388 -7.637 5.375 539 1HG2 VAL 69 HG21 VAL 69 -5.885 -9.350 7.057 540 2HG2 VAL 69 HG22 VAL 69 -4.369 -10.251 7.113 541 3HG2 VAL 69 HG23 VAL 69 -5.193 -10.003 5.571 542 H GLU 70 HN GLU 70 -4.439 -5.182 7.485 543 HA GLU 70 HA GLU 70 -7.005 -5.418 8.902 544 1HB GLU 70 HB2 GLU 70 -4.908 -3.296 9.424 545 2HB GLU 70 HB1 GLU 70 -6.501 -3.371 10.165 546 1HG GLU 70 HG2 GLU 70 -5.914 -5.428 11.286 547 2HG GLU 70 HG1 GLU 70 -4.348 -5.448 10.486 548 H GLU 71 HN GLU 71 -8.346 -4.966 7.223 549 HA GLU 71 HA GLU 71 -7.676 -2.834 5.391 550 1HB GLU 71 HB2 GLU 71 -9.632 -3.488 4.134 551 2HB GLU 71 HB1 GLU 71 -8.695 -4.910 4.546 552 1HG GLU 71 HG2 GLU 71 -11.255 -4.015 5.859 553 2HG GLU 71 HG1 GLU 71 -11.073 -5.338 4.714 554 H LYS 72 HN LYS 72 -7.777 -0.899 6.332 555 HA LYS 72 HA LYS 72 -10.181 -0.182 7.849 556 1HB LYS 72 HB2 LYS 72 -7.995 0.255 8.908 557 2HB LYS 72 HB1 LYS 72 -7.553 1.289 7.557 558 1HG LYS 72 HG2 LYS 72 -9.393 2.806 8.127 559 2HG LYS 72 HG1 LYS 72 -9.802 1.774 9.499 560 1HD LYS 72 HD2 LYS 72 -7.154 3.164 9.099 561 2HD LYS 72 HD1 LYS 72 -8.451 3.737 10.148 562 1HE LYS 72 HE2 LYS 72 -6.971 1.121 10.427 563 2HE LYS 72 HE1 LYS 72 -6.723 2.558 11.418 564 1HZ LYS 72 HZ1 LYS 72 -9.098 0.791 11.318 565 2HZ LYS 72 HZ2 LYS 72 -9.162 2.344 11.999 566 3HZ LYS 72 HZ3 LYS 72 -8.126 1.173 12.657 567 H LEU 73 HN LEU 73 -11.730 0.408 6.481 568 HA LEU 73 HA LEU 73 -11.071 2.049 4.162 569 1HB LEU 73 HB2 LEU 73 -13.575 0.581 4.971 570 2HB LEU 73 HB1 LEU 73 -13.493 1.640 3.576 571 HG LEU 73 HG LEU 73 -11.775 -0.817 3.947 572 1HD1 LEU 73 HD11 LEU 73 -14.261 -0.414 2.288 573 2HD1 LEU 73 HD12 LEU 73 -14.115 -1.439 3.715 574 3HD1 LEU 73 HD13 LEU 73 -13.218 -1.836 2.249 575 1HD2 LEU 73 HD21 LEU 73 -12.249 0.960 1.554 576 2HD2 LEU 73 HD22 LEU 73 -11.252 -0.496 1.588 577 3HD2 LEU 73 HD23 LEU 73 -10.783 0.918 2.534 578 H THR 74 HN THR 74 -10.912 4.117 4.638 579 HA THR 74 HA THR 74 -12.831 5.333 6.492 580 HB THR 74 HB THR 74 -11.077 7.326 5.975 581 HG1 THR 74 HG1 THR 74 -9.902 5.569 4.677 582 1HG2 THR 74 HG21 THR 74 -10.677 5.095 7.961 583 2HG2 THR 74 HG22 THR 74 -11.720 6.501 8.180 584 3HG2 THR 74 HG23 THR 74 -9.971 6.707 8.061 585 H TYR 75 HN TYR 75 -14.586 6.133 5.533 586 HA TYR 75 HA TYR 75 -14.348 7.185 2.806 587 1HB TYR 75 HB2 TYR 75 -16.778 6.258 4.346 588 2HB TYR 75 HB1 TYR 75 -16.821 6.927 2.720 589 HD1 TYR 75 HD1 TYR 75 -16.055 4.005 4.747 590 HD2 TYR 75 HD2 TYR 75 -15.895 5.661 0.835 591 HE1 TYR 75 HE1 TYR 75 -15.698 1.759 3.818 592 HE2 TYR 75 HE2 TYR 75 -15.538 3.419 -0.106 593 HH TYR 75 HH TYR 75 -15.963 0.569 1.739 594 H THR 76 HN THR 76 -14.787 9.244 2.323 595 HA THR 76 HA THR 76 -16.121 10.896 4.370 596 HB THR 76 HB THR 76 -15.013 12.871 3.362 597 HG1 THR 76 HG1 THR 76 -13.686 10.890 1.794 598 1HG2 THR 76 HG21 THR 76 -13.986 11.783 5.306 599 2HG2 THR 76 HG22 THR 76 -12.763 12.471 4.235 600 3HG2 THR 76 HG23 THR 76 -13.063 10.732 4.231 601 H ASP 77 HN ASP 77 -16.593 13.082 2.567 602 HA ASP 77 HA ASP 77 -18.670 11.855 0.887 603 1HB ASP 77 HB2 ASP 77 -19.324 13.612 2.558 604 2HB ASP 77 HB1 ASP 77 -18.341 14.765 1.664 605 H THR 78 HN THR 78 -15.584 12.986 0.714 606 HA THR 78 HA THR 78 -15.894 13.996 -2.032 607 HB THR 78 HB THR 78 -13.581 14.504 -0.153 608 HG1 THR 78 HG1 THR 78 -15.927 16.035 -0.718 609 1HG2 THR 78 HG21 THR 78 -13.038 14.757 -2.531 610 2HG2 THR 78 HG22 THR 78 -13.051 16.321 -1.716 611 3HG2 THR 78 HG23 THR 78 -14.411 15.846 -2.734 612 H TYR 79 HN TYR 79 -13.981 11.851 0.048 613 HA TYR 79 HA TYR 79 -13.195 10.331 -2.297 614 1HB TYR 79 HB2 TYR 79 -10.817 10.416 -1.852 615 2HB TYR 79 HB1 TYR 79 -11.421 12.054 -2.057 616 HD1 TYR 79 HD1 TYR 79 -11.827 13.452 0.032 617 HD2 TYR 79 HD2 TYR 79 -9.673 9.786 0.097 618 HE1 TYR 79 HE1 TYR 79 -10.823 14.087 2.185 619 HE2 TYR 79 HE2 TYR 79 -8.670 10.405 2.253 620 HH TYR 79 HH TYR 79 -9.780 13.069 4.107 621 H ALA 80 HN ALA 80 -11.933 8.357 -1.654 622 HA ALA 80 HA ALA 80 -12.716 7.434 1.034 623 1HB ALA 80 HB1 ALA 80 -12.638 5.805 -1.507 624 2HB ALA 80 HB2 ALA 80 -14.093 6.360 -0.678 625 3HB ALA 80 HB3 ALA 80 -13.025 5.194 0.101 626 H GLN 81 HN GLN 81 -11.057 6.856 2.260 627 HA GLN 81 HA GLN 81 -8.451 6.431 0.989 628 1HB GLN 81 HB2 GLN 81 -8.699 8.167 2.813 629 2HB GLN 81 HB1 GLN 81 -9.034 6.848 3.924 630 1HG GLN 81 HG2 GLN 81 -6.842 5.887 3.471 631 2HG GLN 81 HG1 GLN 81 -6.495 7.197 2.345 632 1HE2 GLN 81 HE21 GLN 81 -4.698 7.835 3.531 633 2HE2 GLN 81 HE22 GLN 81 -4.838 8.661 5.040 634 H GLU 82 HN GLU 82 -7.958 4.394 0.619 635 HA GLU 82 HA GLU 82 -8.947 2.289 2.386 636 1HB GLU 82 HB2 GLU 82 -9.158 1.887 -0.011 637 2HB GLU 82 HB1 GLU 82 -7.446 2.191 -0.239 638 1HG GLU 82 HG2 GLU 82 -6.957 0.209 1.168 639 2HG GLU 82 HG1 GLU 82 -8.687 -0.126 1.221 640 H ASN 83 HN ASN 83 -7.731 2.395 4.215 641 HA ASN 83 HA ASN 83 -4.805 2.411 3.900 642 1HB ASN 83 HB2 ASN 83 -5.831 4.207 5.317 643 2HB ASN 83 HB1 ASN 83 -6.422 2.958 6.402 644 1HD2 ASN 83 HD21 ASN 83 -3.692 4.770 5.342 645 2HD2 ASN 83 HD22 ASN 83 -2.588 4.213 6.548 646 H VAL 84 HN VAL 84 -4.241 0.324 3.629 647 HA VAL 84 HA VAL 84 -5.534 -1.667 5.394 648 HB VAL 84 HB VAL 84 -4.162 -2.124 2.734 649 1HG1 VAL 84 HG11 VAL 84 -5.051 -4.399 2.891 650 2HG1 VAL 84 HG12 VAL 84 -5.693 -4.039 4.494 651 3HG1 VAL 84 HG13 VAL 84 -3.950 -4.048 4.224 652 1HG2 VAL 84 HG21 VAL 84 -6.279 -0.949 2.481 653 2HG2 VAL 84 HG22 VAL 84 -7.089 -2.171 3.461 654 3HG2 VAL 84 HG23 VAL 84 -6.411 -2.606 1.892 655 H THR 85 HN THR 85 -4.322 -2.827 6.782 656 HA THR 85 HA THR 85 -1.422 -2.384 6.712 657 HB THR 85 HB THR 85 -2.953 -3.718 8.945 658 HG1 THR 85 HG1 THR 85 -3.191 -1.187 8.132 659 1HG2 THR 85 HG21 THR 85 -0.312 -2.247 8.804 660 2HG2 THR 85 HG22 THR 85 -0.540 -3.986 9.008 661 3HG2 THR 85 HG23 THR 85 -1.045 -2.878 10.284 662 H ILE 86 HN ILE 86 0.001 -4.091 6.572 663 HA ILE 86 HA ILE 86 -1.083 -6.789 6.248 664 HB ILE 86 HB ILE 86 0.801 -5.462 4.281 665 1HG1 ILE 86 HG12 ILE 86 -2.025 -6.489 3.917 666 2HG1 ILE 86 HG11 ILE 86 -1.558 -4.795 3.999 667 1HG2 ILE 86 HG21 ILE 86 0.695 -7.576 3.040 668 2HG2 ILE 86 HG22 ILE 86 -0.266 -8.284 4.339 669 3HG2 ILE 86 HG23 ILE 86 1.400 -7.792 4.643 670 1HD1 ILE 86 HD11 ILE 86 -1.951 -5.490 1.713 671 2HD1 ILE 86 HD12 ILE 86 -0.734 -6.756 1.871 672 3HD1 ILE 86 HD13 ILE 86 -0.257 -5.059 1.951 673 H ASP 87 HN ASP 87 0.067 -8.191 7.412 674 HA ASP 87 HA ASP 87 2.663 -7.367 8.459 675 1HB ASP 87 HB2 ASP 87 1.111 -8.183 10.113 676 2HB ASP 87 HB1 ASP 87 0.814 -9.646 9.181 677 H MET 88 HN MET 88 4.334 -7.837 7.172 678 HA MET 88 HA MET 88 4.188 -9.998 5.267 679 1HB MET 88 HB2 MET 88 6.396 -8.050 5.920 680 2HB MET 88 HB1 MET 88 6.520 -9.282 4.675 681 1HG MET 88 HG2 MET 88 4.342 -8.159 3.768 682 2HG MET 88 HG1 MET 88 4.903 -6.789 4.728 683 1HE MET 88 HE1 MET 88 5.284 -5.151 2.600 684 2HE MET 88 HE2 MET 88 4.444 -6.448 1.753 685 3HE MET 88 HE3 MET 88 5.932 -5.775 1.085 686 H GLU 89 HN GLU 89 4.387 -10.442 8.302 687 HA GLU 89 HA GLU 89 6.874 -12.007 8.307 688 1HB GLU 89 HB2 GLU 89 5.171 -11.086 10.631 689 2HB GLU 89 HB1 GLU 89 6.646 -12.033 10.766 690 1HG GLU 89 HG2 GLU 89 7.875 -10.167 9.680 691 2HG GLU 89 HG1 GLU 89 6.390 -9.218 9.733 692 H LYS 90 HN LYS 90 3.466 -12.164 8.304 693 HA LYS 90 HA LYS 90 3.643 -15.086 8.351 694 1HB LYS 90 HB2 LYS 90 2.911 -14.126 10.584 695 2HB LYS 90 HB1 LYS 90 1.453 -13.577 9.771 696 1HG LYS 90 HG2 LYS 90 0.964 -15.928 9.164 697 2HG LYS 90 HG1 LYS 90 2.366 -16.423 10.114 698 1HD LYS 90 HD2 LYS 90 1.355 -15.352 12.097 699 2HD LYS 90 HD1 LYS 90 -0.070 -14.967 11.131 700 1HE LYS 90 HE2 LYS 90 -0.396 -17.379 10.717 701 2HE LYS 90 HE1 LYS 90 0.979 -17.722 11.767 702 1HZ LYS 90 HZ1 LYS 90 -0.971 -17.964 13.057 703 2HZ LYS 90 HZ2 LYS 90 -1.603 -16.481 12.523 704 3HZ LYS 90 HZ3 LYS 90 -0.248 -16.507 13.545 705 H VAL 91 HN VAL 91 2.591 -12.317 6.743 706 HA VAL 91 HA VAL 91 0.079 -13.068 5.769 707 HB VAL 91 HB VAL 91 1.064 -10.792 5.427 708 1HG1 VAL 91 HG11 VAL 91 2.582 -12.083 3.169 709 2HG1 VAL 91 HG12 VAL 91 3.305 -11.538 4.682 710 3HG1 VAL 91 HG13 VAL 91 2.561 -10.371 3.588 711 1HG2 VAL 91 HG21 VAL 91 0.136 -12.156 2.900 712 2HG2 VAL 91 HG22 VAL 91 0.080 -10.424 3.234 713 3HG2 VAL 91 HG23 VAL 91 -0.914 -11.537 4.177 714 H ASP 92 HN ASP 92 -0.597 -14.256 4.064 715 HA ASP 92 HA ASP 92 1.416 -16.073 2.958 716 1HB ASP 92 HB2 ASP 92 -0.417 -17.156 4.151 717 2HB ASP 92 HB1 ASP 92 -1.591 -16.351 3.114 718 H PHE 93 HN PHE 93 2.122 -15.621 1.016 719 HA PHE 93 HA PHE 93 0.772 -13.746 -0.679 720 1HB PHE 93 HB2 PHE 93 3.239 -15.430 -1.119 721 2HB PHE 93 HB1 PHE 93 2.653 -14.219 -2.253 722 HD1 PHE 93 HD1 PHE 93 2.727 -11.839 -1.671 723 HD2 PHE 93 HD2 PHE 93 4.392 -14.813 0.875 724 HE1 PHE 93 HE1 PHE 93 3.998 -10.101 -0.480 725 HE2 PHE 93 HE2 PHE 93 5.663 -13.080 2.074 726 HZ PHE 93 HZ PHE 93 5.468 -10.721 1.396 727 H LYS 94 HN LYS 94 0.674 -17.118 -0.250 728 HA LYS 94 HA LYS 94 -0.300 -17.786 -2.857 729 1HB LYS 94 HB2 LYS 94 0.714 -19.514 -1.515 730 2HB LYS 94 HB1 LYS 94 -0.415 -19.226 -0.201 731 1HG LYS 94 HG2 LYS 94 -1.623 -19.984 -2.782 732 2HG LYS 94 HG1 LYS 94 -0.655 -21.225 -1.983 733 1HD LYS 94 HD2 LYS 94 -2.943 -19.699 -0.735 734 2HD LYS 94 HD1 LYS 94 -3.016 -21.360 -1.328 735 1HE LYS 94 HE2 LYS 94 -1.405 -22.071 0.312 736 2HE LYS 94 HE1 LYS 94 -1.142 -20.408 0.832 737 1HZ LYS 94 HZ1 LYS 94 -3.625 -22.002 1.158 738 2HZ LYS 94 HZ2 LYS 94 -3.495 -20.353 1.535 739 3HZ LYS 94 HZ3 LYS 94 -2.569 -21.491 2.384 740 H ALA 95 HN ALA 95 -1.668 -16.641 0.135 741 HA ALA 95 HA ALA 95 -4.392 -16.835 -0.780 742 1HB ALA 95 HB1 ALA 95 -3.872 -16.886 1.618 743 2HB ALA 95 HB2 ALA 95 -4.943 -15.544 1.219 744 3HB ALA 95 HB3 ALA 95 -3.230 -15.247 1.512 745 H LEU 96 HN LEU 96 -1.786 -14.546 -0.882 746 HA LEU 96 HA LEU 96 -3.348 -12.356 -1.857 747 1HB LEU 96 HB2 LEU 96 -0.389 -12.887 -1.754 748 2HB LEU 96 HB1 LEU 96 -1.038 -11.481 -2.570 749 HG LEU 96 HG LEU 96 -1.223 -12.134 0.367 750 1HD1 LEU 96 HD11 LEU 96 0.904 -11.183 -0.378 751 2HD1 LEU 96 HD12 LEU 96 0.009 -10.041 0.625 752 3HD1 LEU 96 HD13 LEU 96 0.045 -9.835 -1.128 753 1HD2 LEU 96 HD21 LEU 96 -2.499 -9.858 -1.147 754 2HD2 LEU 96 HD22 LEU 96 -2.467 -10.044 0.607 755 3HD2 LEU 96 HD23 LEU 96 -3.350 -11.204 -0.388 756 H GLN 97 HN GLN 97 -2.770 -15.231 -3.181 757 HA GLN 97 HA GLN 97 -1.672 -15.138 -5.638 758 1HB GLN 97 HB2 GLN 97 -2.847 -17.071 -4.507 759 2HB GLN 97 HB1 GLN 97 -4.352 -16.426 -5.138 760 1HG GLN 97 HG2 GLN 97 -3.661 -18.164 -6.581 761 2HG GLN 97 HG1 GLN 97 -3.394 -16.644 -7.431 762 1HE2 GLN 97 HE21 GLN 97 -2.179 -19.312 -7.743 763 2HE2 GLN 97 HE22 GLN 97 -0.469 -19.067 -7.608 764 H GLY 98 HN GLY 98 -4.980 -14.062 -4.900 765 1HA GLY 98 HA2 GLY 98 -4.933 -12.581 -7.460 766 2HA GLY 98 HA1 GLY 98 -6.388 -13.356 -6.848 767 H ILE 99 HN ILE 99 -4.274 -11.892 -4.575 768 HA ILE 99 HA ILE 99 -6.077 -9.571 -4.330 769 HB ILE 99 HB ILE 99 -5.036 -11.070 -1.921 770 1HG1 ILE 99 HG12 ILE 99 -7.762 -11.385 -3.204 771 2HG1 ILE 99 HG11 ILE 99 -6.472 -12.580 -3.288 772 1HG2 ILE 99 HG21 ILE 99 -5.738 -8.762 -1.554 773 2HG2 ILE 99 HG22 ILE 99 -6.849 -9.884 -0.767 774 3HG2 ILE 99 HG23 ILE 99 -7.305 -9.112 -2.286 775 1HD1 ILE 99 HD11 ILE 99 -6.562 -12.845 -0.865 776 2HD1 ILE 99 HD12 ILE 99 -8.125 -13.174 -1.616 777 3HD1 ILE 99 HD13 ILE 99 -7.851 -11.643 -0.783 778 H SER 100 HN SER 100 -3.156 -10.368 -5.145 779 HA SER 100 HA SER 100 -1.519 -8.936 -3.303 780 1HB SER 100 HB2 SER 100 0.217 -9.208 -5.136 781 2HB SER 100 HB1 SER 100 -0.480 -10.706 -4.517 782 HG SER 100 HG SER 100 -0.662 -9.570 -7.014 783 H GLY 101 HN GLY 101 -2.082 -6.829 -3.077 784 1HA GLY 101 HA2 GLY 101 -2.680 -5.005 -5.116 785 2HA GLY 101 HA1 GLY 101 -1.971 -4.584 -3.560 786 H ILE 102 HN ILE 102 0.319 -6.397 -4.109 787 HA ILE 102 HA ILE 102 1.935 -4.586 -5.690 788 HB ILE 102 HB ILE 102 2.881 -7.232 -4.620 789 1HG1 ILE 102 HG12 ILE 102 1.762 -6.155 -2.735 790 2HG1 ILE 102 HG11 ILE 102 3.507 -6.119 -2.510 791 1HG2 ILE 102 HG21 ILE 102 5.019 -6.044 -4.443 792 2HG2 ILE 102 HG22 ILE 102 4.248 -4.585 -5.067 793 3HG2 ILE 102 HG23 ILE 102 4.379 -6.017 -6.086 794 1HD1 ILE 102 HD11 ILE 102 3.545 -3.787 -3.231 795 2HD1 ILE 102 HD12 ILE 102 2.490 -4.031 -1.838 796 3HD1 ILE 102 HD13 ILE 102 1.796 -3.832 -3.447 797 H ASN 103 HN ASN 103 1.619 -4.785 -7.835 798 HA ASN 103 HA ASN 103 1.991 -7.430 -9.016 799 1HB ASN 103 HB2 ASN 103 -0.439 -7.111 -8.886 800 2HB ASN 103 HB1 ASN 103 -0.292 -5.569 -9.722 801 1HD2 ASN 103 HD21 ASN 103 -1.673 -6.268 -11.359 802 2HD2 ASN 103 HD22 ASN 103 -1.160 -7.398 -12.570 803 H VAL 104 HN VAL 104 3.938 -6.950 -9.881 804 HA VAL 104 HA VAL 104 3.886 -5.107 -12.118 805 HB VAL 104 HB VAL 104 4.790 -3.691 -10.405 806 1HG1 VAL 104 HG11 VAL 104 5.518 -5.368 -8.817 807 2HG1 VAL 104 HG12 VAL 104 6.828 -4.242 -9.172 808 3HG1 VAL 104 HG13 VAL 104 6.826 -5.850 -9.898 809 1HG2 VAL 104 HG21 VAL 104 6.984 -4.694 -12.210 810 2HG2 VAL 104 HG22 VAL 104 6.987 -3.154 -11.350 811 3HG2 VAL 104 HG23 VAL 104 5.784 -3.461 -12.603 812 H SER 105 HN SER 105 5.804 -7.477 -10.354 813 HA SER 105 HA SER 105 6.338 -8.794 -12.919 814 1HB SER 105 HB2 SER 105 8.479 -8.636 -10.803 815 2HB SER 105 HB1 SER 105 8.645 -9.063 -12.505 816 HG SER 105 HG SER 105 8.307 -6.537 -11.318 817 H ALA 106 HN ALA 106 7.319 -11.070 -12.430 818 HA ALA 106 HA ALA 106 5.651 -12.276 -10.347 819 1HB ALA 106 HB1 ALA 106 5.544 -13.214 -12.608 820 2HB ALA 106 HB2 ALA 106 6.143 -14.397 -11.444 821 3HB ALA 106 HB3 ALA 106 7.267 -13.585 -12.535 822 H GLU 107 HN GLU 107 8.543 -10.916 -10.312 823 HA GLU 107 HA GLU 107 9.889 -13.067 -8.833 824 1HB GLU 107 HB2 GLU 107 11.047 -10.524 -9.984 825 2HB GLU 107 HB1 GLU 107 11.955 -11.806 -9.195 826 1HG GLU 107 HG2 GLU 107 10.453 -11.986 -11.794 827 2HG GLU 107 HG1 GLU 107 12.201 -12.000 -11.569 828 H ASP 108 HN ASP 108 8.112 -10.286 -8.316 829 HA ASP 108 HA ASP 108 9.519 -9.646 -5.833 830 1HB ASP 108 HB2 ASP 108 7.880 -7.658 -5.804 831 2HB ASP 108 HB1 ASP 108 9.179 -7.644 -6.989 832 H ALA 109 HN ALA 109 6.055 -9.215 -6.411 833 HA ALA 109 HA ALA 109 5.430 -10.066 -3.779 834 1HB ALA 109 HB1 ALA 109 3.602 -9.705 -6.149 835 2HB ALA 109 HB2 ALA 109 4.083 -8.443 -5.013 836 3HB ALA 109 HB3 ALA 109 3.105 -9.802 -4.457 837 H LYS 110 HN LYS 110 5.517 -11.686 -6.847 838 HA LYS 110 HA LYS 110 3.789 -13.835 -6.169 839 1HB LYS 110 HB2 LYS 110 4.347 -12.992 -8.485 840 2HB LYS 110 HB1 LYS 110 5.902 -13.793 -8.323 841 1HG LYS 110 HG2 LYS 110 4.440 -15.194 -9.591 842 2HG LYS 110 HG1 LYS 110 4.705 -15.943 -8.015 843 1HD LYS 110 HD2 LYS 110 2.565 -15.177 -7.231 844 2HD LYS 110 HD1 LYS 110 2.313 -14.243 -8.706 845 1HE LYS 110 HE2 LYS 110 2.336 -16.337 -10.003 846 2HE LYS 110 HE1 LYS 110 2.512 -17.244 -8.501 847 1HZ LYS 110 HZ1 LYS 110 0.226 -15.440 -9.101 848 2HZ LYS 110 HZ2 LYS 110 0.380 -16.489 -7.777 849 3HZ LYS 110 HZ3 LYS 110 0.205 -17.121 -9.339 850 H LYS 111 HN LYS 111 7.042 -13.169 -5.374 851 HA LYS 111 HA LYS 111 7.425 -15.968 -4.564 852 1HB LYS 111 HB2 LYS 111 9.437 -14.189 -5.945 853 2HB LYS 111 HB1 LYS 111 9.857 -15.702 -5.151 854 1HG LYS 111 HG2 LYS 111 8.442 -16.939 -6.659 855 2HG LYS 111 HG1 LYS 111 7.881 -15.444 -7.406 856 1HD LYS 111 HD2 LYS 111 10.130 -14.987 -8.213 857 2HD LYS 111 HD1 LYS 111 10.725 -16.449 -7.422 858 1HE LYS 111 HE2 LYS 111 9.313 -17.822 -8.829 859 2HE LYS 111 HE1 LYS 111 8.608 -16.386 -9.568 860 1HZ LYS 111 HZ1 LYS 111 10.698 -15.846 -10.555 861 2HZ LYS 111 HZ2 LYS 111 10.346 -17.466 -10.924 862 3HZ LYS 111 HZ3 LYS 111 11.487 -17.098 -9.724 863 H GLY 112 HN GLY 112 6.715 -13.296 -3.249 864 1HA GLY 112 HA2 GLY 112 6.936 -12.905 -0.922 865 2HA GLY 112 HA1 GLY 112 8.487 -13.730 -0.956 866 H ILE 113 HN ILE 113 7.147 -10.836 -0.458 867 HA ILE 113 HA ILE 113 8.702 -9.096 -2.050 868 HB ILE 113 HB ILE 113 7.304 -8.574 0.574 869 1HG1 ILE 113 HG12 ILE 113 5.820 -9.224 -1.289 870 2HG1 ILE 113 HG11 ILE 113 5.573 -7.547 -0.812 871 1HG2 ILE 113 HG21 ILE 113 9.079 -6.950 0.244 872 2HG2 ILE 113 HG22 ILE 113 7.505 -6.190 -0.000 873 3HG2 ILE 113 HG23 ILE 113 8.502 -6.621 -1.390 874 1HD1 ILE 113 HD11 ILE 113 5.535 -7.786 -3.224 875 2HD1 ILE 113 HD12 ILE 113 7.151 -8.494 -3.195 876 3HD1 ILE 113 HD13 ILE 113 6.916 -6.813 -2.718 877 H THR 114 HN THR 114 10.816 -9.130 -2.000 878 HA THR 114 HA THR 114 12.200 -9.007 0.591 879 HB THR 114 HB THR 114 13.353 -9.554 -2.160 880 HG1 THR 114 HG1 THR 114 11.891 -11.180 -0.978 881 1HG2 THR 114 HG21 THR 114 14.981 -8.579 -0.616 882 2HG2 THR 114 HG22 THR 114 15.353 -10.272 -0.940 883 3HG2 THR 114 HG23 THR 114 14.593 -9.814 0.583 884 H MET 115 HN MET 115 13.762 -7.291 0.891 885 HA MET 115 HA MET 115 12.759 -4.816 0.018 886 1HB MET 115 HB2 MET 115 14.071 -5.276 2.135 887 2HB MET 115 HB1 MET 115 15.520 -5.242 1.140 888 1HG MET 115 HG2 MET 115 15.116 -3.099 2.235 889 2HG MET 115 HG1 MET 115 15.051 -2.963 0.477 890 1HE MET 115 HE1 MET 115 13.940 -0.654 2.243 891 2HE MET 115 HE2 MET 115 12.386 -0.330 1.478 892 3HE MET 115 HE3 MET 115 13.801 -0.676 0.486 893 H ALA 116 HN ALA 116 15.343 -6.829 -1.220 894 HA ALA 116 HA ALA 116 16.636 -5.049 -2.915 895 1HB ALA 116 HB1 ALA 116 17.420 -7.330 -2.539 896 2HB ALA 116 HB2 ALA 116 17.236 -7.006 -4.263 897 3HB ALA 116 HB3 ALA 116 16.023 -7.963 -3.413 898 H GLN 117 HN GLN 117 13.885 -7.184 -3.678 899 HA GLN 117 HA GLN 117 13.214 -6.179 -6.171 900 1HB GLN 117 HB2 GLN 117 11.502 -7.315 -3.965 901 2HB GLN 117 HB1 GLN 117 10.806 -6.791 -5.487 902 1HG GLN 117 HG2 GLN 117 11.063 -9.028 -5.850 903 2HG GLN 117 HG1 GLN 117 12.557 -8.399 -6.533 904 1HE2 GLN 117 HE21 GLN 117 11.817 -11.037 -5.422 905 2HE2 GLN 117 HE22 GLN 117 13.005 -11.371 -4.204 906 H MET 118 HN MET 118 11.586 -5.306 -3.150 907 HA MET 118 HA MET 118 9.975 -3.312 -3.910 908 1HB MET 118 HB2 MET 118 10.478 -4.289 -1.568 909 2HB MET 118 HB1 MET 118 11.612 -2.953 -1.423 910 1HG MET 118 HG2 MET 118 9.814 -1.959 -0.503 911 2HG MET 118 HG1 MET 118 9.481 -1.571 -2.188 912 1HE MET 118 HE1 MET 118 6.773 -4.296 -3.095 913 2HE MET 118 HE2 MET 118 8.517 -4.458 -3.304 914 3HE MET 118 HE3 MET 118 7.720 -2.933 -3.695 915 H GLU 119 HN GLU 119 13.367 -2.691 -2.904 916 HA GLU 119 HA GLU 119 13.313 0.069 -3.306 917 1HB GLU 119 HB2 GLU 119 15.527 -1.950 -3.285 918 2HB GLU 119 HB1 GLU 119 15.864 -0.265 -3.655 919 1HG GLU 119 HG2 GLU 119 14.472 -1.171 -1.150 920 2HG GLU 119 HG1 GLU 119 16.212 -0.928 -1.274 921 H LEU 120 HN LEU 120 14.617 -2.409 -5.550 922 HA LEU 120 HA LEU 120 15.190 -0.502 -7.586 923 1HB LEU 120 HB2 LEU 120 15.016 -3.500 -7.548 924 2HB LEU 120 HB1 LEU 120 15.259 -2.636 -9.051 925 HG LEU 120 HG LEU 120 17.330 -1.630 -8.062 926 1HD1 LEU 120 HD11 LEU 120 16.803 -1.898 -5.701 927 2HD1 LEU 120 HD12 LEU 120 18.321 -2.701 -6.105 928 3HD1 LEU 120 HD13 LEU 120 16.853 -3.652 -5.878 929 1HD2 LEU 120 HD21 LEU 120 18.677 -3.652 -8.336 930 2HD2 LEU 120 HD22 LEU 120 17.431 -3.528 -9.578 931 3HD2 LEU 120 HD23 LEU 120 17.220 -4.638 -8.223 932 H VAL 121 HN VAL 121 12.430 -2.396 -6.781 933 HA VAL 121 HA VAL 121 11.121 -2.227 -9.315 934 HB VAL 121 HB VAL 121 10.419 -3.288 -6.605 935 1HG1 VAL 121 HG11 VAL 121 8.377 -2.176 -7.381 936 2HG1 VAL 121 HG12 VAL 121 8.221 -3.932 -7.326 937 3HG1 VAL 121 HG13 VAL 121 8.453 -3.113 -8.876 938 1HG2 VAL 121 HG21 VAL 121 11.731 -4.669 -8.105 939 2HG2 VAL 121 HG22 VAL 121 10.507 -4.497 -9.365 940 3HG2 VAL 121 HG23 VAL 121 10.126 -5.367 -7.877 941 H MET 122 HN MET 122 10.727 -0.578 -6.177 942 HA MET 122 HA MET 122 8.579 1.082 -6.945 943 1HB MET 122 HB2 MET 122 10.596 1.064 -4.786 944 2HB MET 122 HB1 MET 122 9.928 2.641 -5.171 945 1HG MET 122 HG2 MET 122 8.722 1.611 -3.351 946 2HG MET 122 HG1 MET 122 7.682 1.809 -4.755 947 1HE MET 122 HE1 MET 122 6.717 -1.697 -5.790 948 2HE MET 122 HE2 MET 122 7.623 -0.424 -6.609 949 3HE MET 122 HE3 MET 122 6.207 -0.015 -5.641 950 H LYS 123 HN LYS 123 12.053 1.379 -7.285 951 HA LYS 123 HA LYS 123 12.009 4.044 -8.309 952 1HB LYS 123 HB2 LYS 123 13.955 2.940 -7.165 953 2HB LYS 123 HB1 LYS 123 14.171 1.955 -8.602 954 1HG LYS 123 HG2 LYS 123 14.727 3.852 -9.919 955 2HG LYS 123 HG1 LYS 123 14.256 4.958 -8.627 956 1HD LYS 123 HD2 LYS 123 16.052 3.973 -7.214 957 2HD LYS 123 HD1 LYS 123 16.568 3.024 -8.608 958 1HE LYS 123 HE2 LYS 123 17.120 4.997 -9.834 959 2HE LYS 123 HE1 LYS 123 16.386 6.029 -8.606 960 1HZ LYS 123 HZ1 LYS 123 18.775 6.023 -8.390 961 2HZ LYS 123 HZ2 LYS 123 18.799 4.330 -8.249 962 3HZ LYS 123 HZ3 LYS 123 18.077 5.274 -7.038 963 H ALA 124 HN ALA 124 11.898 0.830 -9.686 964 HA ALA 124 HA ALA 124 12.368 1.462 -12.380 965 1HB ALA 124 HB1 ALA 124 12.443 -0.820 -11.621 966 2HB ALA 124 HB2 ALA 124 11.188 -0.676 -12.853 967 3HB ALA 124 HB3 ALA 124 10.746 -0.761 -11.150 968 H ALA 125 HN ALA 125 9.431 1.541 -10.435 969 HA ALA 125 HA ALA 125 7.774 2.162 -12.729 970 1HB ALA 125 HB1 ALA 125 7.071 2.130 -9.798 971 2HB ALA 125 HB2 ALA 125 6.901 0.773 -10.912 972 3HB ALA 125 HB3 ALA 125 5.934 2.230 -11.143 973 H GLY 126 HN GLY 126 9.763 3.897 -10.647 974 1HA GLY 126 HA2 GLY 126 10.242 6.151 -10.640 975 2HA GLY 126 HA1 GLY 126 8.973 6.380 -11.833 976 H PHE 127 HN PHE 127 8.741 5.017 -8.572 977 HA PHE 127 HA PHE 127 6.560 6.811 -7.954 978 1HB PHE 127 HB2 PHE 127 7.947 4.683 -6.310 979 2HB PHE 127 HB1 PHE 127 6.564 5.614 -5.753 980 HD1 PHE 127 HD1 PHE 127 7.153 2.510 -6.418 981 HD2 PHE 127 HD2 PHE 127 4.896 5.642 -8.202 982 HE1 PHE 127 HE1 PHE 127 5.617 0.848 -7.382 983 HE2 PHE 127 HE2 PHE 127 3.356 3.985 -9.169 984 HZ PHE 127 HZ PHE 127 3.718 1.586 -8.762 985 H LYS 128 HN LYS 128 6.573 8.084 -5.896 986 HA LYS 128 HA LYS 128 9.122 9.463 -5.587 987 1HB LYS 128 HB2 LYS 128 6.413 10.046 -4.373 988 2HB LYS 128 HB1 LYS 128 7.851 11.019 -4.122 989 1HG LYS 128 HG2 LYS 128 7.883 11.416 -6.607 990 2HG LYS 128 HG1 LYS 128 6.288 10.654 -6.662 991 1HD LYS 128 HD2 LYS 128 5.518 12.311 -4.961 992 2HD LYS 128 HD1 LYS 128 7.075 13.120 -5.110 993 1HE LYS 128 HE2 LYS 128 5.452 14.273 -6.462 994 2HE LYS 128 HE1 LYS 128 6.615 13.470 -7.516 995 1HZ LYS 128 HZ1 LYS 128 4.127 13.286 -8.053 996 2HZ LYS 128 HZ2 LYS 128 4.077 12.141 -6.803 997 3HZ LYS 128 HZ3 LYS 128 5.078 11.889 -8.151 998 H GLU 129 HN GLU 129 10.446 9.161 -3.917 999 HA GLU 129 HA GLU 129 9.736 7.216 -1.902 1000 1HB GLU 129 HB2 GLU 129 11.981 7.134 -2.847 1001 2HB GLU 129 HB1 GLU 129 12.272 8.805 -2.383 1002 1HG GLU 129 HG2 GLU 129 11.692 7.780 0.020 1003 2HG GLU 129 HG1 GLU 129 12.352 6.344 -0.762 1004 H VAL 130 HN VAL 130 8.814 7.741 -0.051 1005 HA VAL 130 HA VAL 130 9.453 10.350 1.151 1006 HB VAL 130 HB VAL 130 6.816 8.964 1.597 1007 1HG1 VAL 130 HG11 VAL 130 7.465 10.633 3.231 1008 2HG1 VAL 130 HG12 VAL 130 6.093 11.204 2.282 1009 3HG1 VAL 130 HG13 VAL 130 7.712 11.819 1.951 1010 1HG2 VAL 130 HG21 VAL 130 7.409 11.031 -0.518 1011 2HG2 VAL 130 HG22 VAL 130 5.798 10.501 -0.039 1012 3HG2 VAL 130 HG23 VAL 130 6.915 9.359 -0.787 1013 H LYS 131 HN LYS 131 11.184 8.883 2.086 1014 HA LYS 131 HA LYS 131 10.269 7.025 4.076 1015 1HB LYS 131 HB2 LYS 131 12.732 6.999 4.758 1016 2HB LYS 131 HB1 LYS 131 12.320 6.374 3.173 1017 1HG LYS 131 HG2 LYS 131 14.148 7.599 2.643 1018 2HG LYS 131 HG1 LYS 131 12.907 8.831 2.428 1019 1HD LYS 131 HD2 LYS 131 13.388 9.763 4.594 1020 2HD LYS 131 HD1 LYS 131 14.506 8.445 4.957 1021 1HE LYS 131 HE2 LYS 131 15.703 10.476 4.310 1022 2HE LYS 131 HE1 LYS 131 15.971 9.174 3.152 1023 1HZ LYS 131 HZ1 LYS 131 14.085 11.446 2.817 1024 2HZ LYS 131 HZ2 LYS 131 14.311 10.185 1.701 1025 3HZ LYS 131 HZ3 LYS 131 15.578 11.265 2.032 1026 H LEU 132 HN LEU 132 9.611 7.488 6.008 1027 HA LEU 132 HA LEU 132 9.593 10.236 6.840 1028 1HB LEU 132 HB2 LEU 132 8.290 7.724 7.765 1029 2HB LEU 132 HB1 LEU 132 8.414 9.057 8.896 1030 HG LEU 132 HG LEU 132 7.163 10.500 7.351 1031 1HD1 LEU 132 HD11 LEU 132 6.904 8.035 5.638 1032 2HD1 LEU 132 HD12 LEU 132 7.842 9.474 5.241 1033 3HD1 LEU 132 HD13 LEU 132 6.086 9.574 5.376 1034 1HD2 LEU 132 HD21 LEU 132 5.969 9.209 9.041 1035 2HD2 LEU 132 HD22 LEU 132 5.798 7.874 7.900 1036 3HD2 LEU 132 HD23 LEU 132 5.001 9.414 7.580 1037 H GLU 133 HN GLU 133 11.536 10.913 7.517 1038 HA GLU 133 HA GLU 133 13.159 9.488 9.371 1039 1HB GLU 133 HB2 GLU 133 13.075 12.449 8.739 1040 2HB GLU 133 HB1 GLU 133 14.346 11.637 9.645 1041 1HG GLU 133 HG2 GLU 133 14.984 10.366 7.708 1042 2HG GLU 133 HG1 GLU 133 13.628 11.016 6.791 1043 H HIS 134 HN HIS 134 11.791 8.825 11.002 1044 HA HIS 134 HA HIS 134 9.906 10.402 12.326 1045 1HB HIS 134 HB2 HIS 134 10.748 7.757 12.434 1046 2HB HIS 134 HB1 HIS 134 11.096 8.377 14.045 1047 HD1 HIS 134 HD1 HIS 134 9.163 6.669 14.781 1048 HD2 HIS 134 HD2 HIS 134 7.956 9.937 12.505 1049 HE1 HIS 134 HE1 HIS 134 6.664 6.811 15.061 1050 HE2 HIS 134 HE2 HIS 134 5.940 8.675 13.523 1051 H HIS 135 HN HIS 135 13.326 9.982 12.847 1052 HA HIS 135 HA HIS 135 13.289 11.777 15.142 1053 1HB HIS 135 HB2 HIS 135 15.655 10.531 13.714 1054 2HB HIS 135 HB1 HIS 135 15.714 11.423 15.228 1055 HD1 HIS 135 HD1 HIS 135 14.482 10.229 17.308 1056 HD2 HIS 135 HD2 HIS 135 15.186 7.855 13.964 1057 HE1 HIS 135 HE1 HIS 135 14.245 7.851 18.098 1058 HE2 HIS 135 HE2 HIS 135 14.790 6.429 16.086 1059 H HIS 136 HN HIS 136 13.428 13.906 14.881 1060 HA HIS 136 HA HIS 136 13.659 14.950 12.194 1061 1HB HIS 136 HB2 HIS 136 13.161 16.313 14.848 1062 2HB HIS 136 HB1 HIS 136 13.151 17.138 13.293 1063 HD1 HIS 136 HD1 HIS 136 10.865 15.896 15.637 1064 HD2 HIS 136 HD2 HIS 136 11.162 15.593 11.492 1065 HE1 HIS 136 HE1 HIS 136 8.557 15.302 14.827 1066 HE2 HIS 136 HE2 HIS 136 8.749 15.129 12.317 1067 H HIS 137 HN HIS 137 16.030 13.785 13.020 1068 HA HIS 137 HA HIS 137 18.266 14.083 13.126 1069 1HB HIS 137 HB2 HIS 137 17.672 16.915 12.235 1070 2HB HIS 137 HB1 HIS 137 19.243 16.126 12.185 1071 HD1 HIS 137 HD1 HIS 137 17.080 17.195 9.834 1072 HD2 HIS 137 HD2 HIS 137 18.452 13.359 10.685 1073 HE1 HIS 137 HE1 HIS 137 16.739 15.866 7.726 1074 HE2 HIS 137 HE2 HIS 137 17.336 13.498 8.348 1075 H HIS 138 HN HIS 138 18.024 13.768 15.395 1076 HA HIS 138 HA HIS 138 18.514 16.208 16.970 1077 1HB HIS 138 HB2 HIS 138 16.349 15.299 17.561 1078 2HB HIS 138 HB1 HIS 138 17.036 13.694 17.781 1079 HD1 HIS 138 HD1 HIS 138 17.800 17.141 19.260 1080 HD2 HIS 138 HD2 HIS 138 17.277 13.175 20.411 1081 HE1 HIS 138 HE1 HIS 138 18.136 17.106 21.750 1082 HE2 HIS 138 HE2 HIS 138 17.586 14.749 22.446 1083 H HIS 139 HN HIS 139 20.521 16.315 17.627 1084 HA HIS 139 HA HIS 139 21.725 14.103 19.016 1085 1HB HIS 139 HB2 HIS 139 22.368 13.640 16.660 1086 2HB HIS 139 HB1 HIS 139 23.104 15.239 16.567 1087 HD1 HIS 139 HD1 HIS 139 25.534 15.291 17.056 1088 HD2 HIS 139 HD2 HIS 139 23.652 12.027 18.824 1089 HE1 HIS 139 HE1 HIS 139 27.366 13.959 18.153 1090 HE2 HIS 139 HE2 HIS 139 26.187 12.069 19.337 Start of MODEL 11 1 1H MET 1 HT1 MET 1 15.615 -6.744 18.189 2 2H MET 1 HT2 MET 1 16.588 -6.072 16.975 3 3H MET 1 HT3 MET 1 16.128 -5.131 18.310 4 HA MET 1 HA MET 1 17.371 -6.623 19.780 5 1HB MET 1 HB2 MET 1 17.289 -8.595 18.292 6 2HB MET 1 HB1 MET 1 18.342 -7.772 17.150 7 1HG MET 1 HG2 MET 1 19.604 -9.357 18.444 8 2HG MET 1 HG1 MET 1 20.114 -7.718 18.840 9 1HE MET 1 HE1 MET 1 20.829 -10.271 20.602 10 2HE MET 1 HE2 MET 1 20.559 -9.638 22.225 11 3HE MET 1 HE3 MET 1 21.345 -8.635 21.006 12 H GLY 2 HN GLY 2 18.859 -5.925 16.635 13 1HA GLY 2 HA2 GLY 2 20.152 -3.552 17.797 14 2HA GLY 2 HA1 GLY 2 21.130 -4.743 16.934 15 H ASP 3 HN ASP 3 17.977 -3.247 16.446 16 HA ASP 3 HA ASP 3 18.629 -2.471 13.734 17 1HB ASP 3 HB2 ASP 3 16.706 -3.880 12.855 18 2HB ASP 3 HB1 ASP 3 18.145 -4.778 13.331 19 H LYS 4 HN LYS 4 16.574 -1.621 12.653 20 HA LYS 4 HA LYS 4 14.805 -0.370 14.642 21 1HB LYS 4 HB2 LYS 4 16.039 0.989 12.233 22 2HB LYS 4 HB1 LYS 4 14.862 1.712 13.318 23 1HG LYS 4 HG2 LYS 4 16.457 1.582 15.155 24 2HG LYS 4 HG1 LYS 4 17.637 0.824 14.084 25 1HD LYS 4 HD2 LYS 4 18.161 3.164 14.280 26 2HD LYS 4 HD1 LYS 4 17.559 2.853 12.651 27 1HE LYS 4 HE2 LYS 4 16.595 4.902 13.509 28 2HE LYS 4 HE1 LYS 4 15.340 3.676 13.341 29 1HZ LYS 4 HZ1 LYS 4 15.350 3.297 15.671 30 2HZ LYS 4 HZ2 LYS 4 15.264 4.978 15.454 31 3HZ LYS 4 HZ3 LYS 4 16.732 4.253 15.896 32 H GLU 5 HN GLU 5 12.671 -0.100 14.001 33 HA GLU 5 HA GLU 5 11.813 -1.450 11.583 34 1HB GLU 5 HB2 GLU 5 10.198 0.163 13.570 35 2HB GLU 5 HB1 GLU 5 9.546 -0.868 12.306 36 1HG GLU 5 HG2 GLU 5 10.534 -2.821 13.406 37 2HG GLU 5 HG1 GLU 5 11.152 -1.773 14.685 38 H GLU 6 HN GLU 6 12.321 -0.351 9.768 39 HA GLU 6 HA GLU 6 12.139 2.570 9.812 40 1HB GLU 6 HB2 GLU 6 13.404 0.746 7.760 41 2HB GLU 6 HB1 GLU 6 13.507 2.501 7.789 42 1HG GLU 6 HG2 GLU 6 14.686 2.372 9.946 43 2HG GLU 6 HG1 GLU 6 14.635 0.613 9.844 44 H SER 7 HN SER 7 10.551 3.600 8.820 45 HA SER 7 HA SER 7 8.720 2.017 7.165 46 1HB SER 7 HB2 SER 7 7.918 3.228 9.295 47 2HB SER 7 HB1 SER 7 8.133 4.718 8.382 48 HG SER 7 HG SER 7 6.338 2.596 7.917 49 H LYS 8 HN LYS 8 8.428 2.523 5.061 50 HA LYS 8 HA LYS 8 9.527 5.087 4.127 51 1HB LYS 8 HB2 LYS 8 10.984 3.204 3.470 52 2HB LYS 8 HB1 LYS 8 9.625 2.448 2.651 53 1HG LYS 8 HG2 LYS 8 9.531 4.174 1.031 54 2HG LYS 8 HG1 LYS 8 10.659 5.178 1.943 55 1HD LYS 8 HD2 LYS 8 12.434 3.539 1.551 56 2HD LYS 8 HD1 LYS 8 11.302 2.530 0.644 57 1HE LYS 8 HE2 LYS 8 11.045 4.199 -1.033 58 2HE LYS 8 HE1 LYS 8 11.937 5.376 -0.074 59 1HZ LYS 8 HZ1 LYS 8 13.064 2.922 -1.312 60 2HZ LYS 8 HZ2 LYS 8 13.926 4.009 -0.340 61 3HZ LYS 8 HZ3 LYS 8 13.306 4.517 -1.832 62 H LYS 9 HN LYS 9 7.885 6.325 3.569 63 HA LYS 9 HA LYS 9 5.509 5.119 2.349 64 1HB LYS 9 HB2 LYS 9 5.117 6.615 4.264 65 2HB LYS 9 HB1 LYS 9 5.940 7.918 3.420 66 1HG LYS 9 HG2 LYS 9 4.185 7.698 1.617 67 2HG LYS 9 HG1 LYS 9 3.313 6.634 2.719 68 1HD LYS 9 HD2 LYS 9 4.144 9.453 3.390 69 2HD LYS 9 HD1 LYS 9 2.557 9.016 2.761 70 1HE LYS 9 HE2 LYS 9 3.756 7.953 5.315 71 2HE LYS 9 HE1 LYS 9 2.609 9.286 5.224 72 1HZ LYS 9 HZ1 LYS 9 2.113 6.474 4.404 73 2HZ LYS 9 HZ2 LYS 9 1.005 7.743 4.209 74 3HZ LYS 9 HZ3 LYS 9 1.472 7.253 5.766 75 H PHE 10 HN PHE 10 5.499 5.048 0.202 76 HA PHE 10 HA PHE 10 6.441 7.448 -1.233 77 1HB PHE 10 HB2 PHE 10 7.065 6.149 -3.085 78 2HB PHE 10 HB1 PHE 10 7.575 5.158 -1.729 79 HD1 PHE 10 HD1 PHE 10 5.182 5.511 -4.473 80 HD2 PHE 10 HD2 PHE 10 6.479 3.064 -1.245 81 HE1 PHE 10 HE1 PHE 10 3.882 3.633 -5.382 82 HE2 PHE 10 HE2 PHE 10 5.183 1.180 -2.149 83 HZ PHE 10 HZ PHE 10 3.877 1.465 -4.222 84 H SER 11 HN SER 11 5.032 8.178 -2.979 85 HA SER 11 HA SER 11 2.398 6.957 -3.061 86 1HB SER 11 HB2 SER 11 2.270 8.563 -1.184 87 2HB SER 11 HB1 SER 11 2.733 9.863 -2.271 88 HG SER 11 HG SER 11 0.387 8.273 -2.375 89 H ALA 12 HN ALA 12 1.885 6.763 -5.087 90 HA ALA 12 HA ALA 12 2.672 8.883 -6.972 91 1HB ALA 12 HB1 ALA 12 4.091 6.918 -7.304 92 2HB ALA 12 HB2 ALA 12 3.030 7.182 -8.688 93 3HB ALA 12 HB3 ALA 12 2.657 5.914 -7.519 94 H ASN 13 HN ASN 13 1.197 9.363 -8.605 95 HA ASN 13 HA ASN 13 -1.534 8.454 -8.031 96 1HB ASN 13 HB2 ASN 13 -1.252 10.857 -7.956 97 2HB ASN 13 HB1 ASN 13 -0.501 10.859 -9.547 98 1HD2 ASN 13 HD21 ASN 13 -3.478 10.601 -7.782 99 2HD2 ASN 13 HD22 ASN 13 -4.533 10.795 -9.143 100 H LEU 14 HN LEU 14 -2.391 6.971 -9.304 101 HA LEU 14 HA LEU 14 -1.932 7.118 -12.173 102 1HB LEU 14 HB2 LEU 14 -1.540 4.650 -12.296 103 2HB LEU 14 HB1 LEU 14 -0.226 5.572 -11.597 104 HG LEU 14 HG LEU 14 -1.370 4.883 -9.321 105 1HD1 LEU 14 HD11 LEU 14 -2.264 2.691 -11.187 106 2HD1 LEU 14 HD12 LEU 14 -3.312 3.803 -10.308 107 3HD1 LEU 14 HD13 LEU 14 -2.328 2.635 -9.425 108 1HD2 LEU 14 HD21 LEU 14 0.289 3.004 -10.997 109 2HD2 LEU 14 HD22 LEU 14 0.100 2.925 -9.246 110 3HD2 LEU 14 HD23 LEU 14 0.898 4.314 -9.984 111 H ASN 15 HN ASN 15 -3.627 6.377 -13.393 112 HA ASN 15 HA ASN 15 -5.759 5.791 -13.924 113 1HB ASN 15 HB2 ASN 15 -5.346 3.684 -12.780 114 2HB ASN 15 HB1 ASN 15 -5.716 4.417 -11.226 115 1HD2 ASN 15 HD21 ASN 15 -7.823 4.643 -10.601 116 2HD2 ASN 15 HD22 ASN 15 -9.161 4.013 -11.506 117 H GLY 16 HN GLY 16 -4.994 7.728 -11.311 118 1HA GLY 16 HA2 GLY 16 -6.366 9.729 -10.947 119 2HA GLY 16 HA1 GLY 16 -7.776 8.681 -11.050 120 H THR 17 HN THR 17 -5.575 6.881 -9.528 121 HA THR 17 HA THR 17 -6.570 7.646 -6.869 122 HB THR 17 HB THR 17 -5.392 4.992 -7.715 123 HG1 THR 17 HG1 THR 17 -7.899 6.068 -8.133 124 1HG2 THR 17 HG21 THR 17 -7.076 5.778 -5.333 125 2HG2 THR 17 HG22 THR 17 -5.348 5.427 -5.308 126 3HG2 THR 17 HG23 THR 17 -6.500 4.152 -5.699 127 H GLU 18 HN GLU 18 -5.134 8.089 -5.232 128 HA GLU 18 HA GLU 18 -2.303 8.239 -5.965 129 1HB GLU 18 HB2 GLU 18 -3.351 9.114 -3.306 130 2HB GLU 18 HB1 GLU 18 -2.024 9.771 -4.247 131 1HG GLU 18 HG2 GLU 18 -3.746 10.625 -5.870 132 2HG GLU 18 HG1 GLU 18 -4.965 10.163 -4.678 133 H ILE 19 HN ILE 19 -1.237 6.354 -5.643 134 HA ILE 19 HA ILE 19 -2.045 4.647 -3.416 135 HB ILE 19 HB ILE 19 0.002 4.147 -5.584 136 1HG1 ILE 19 HG12 ILE 19 -2.832 3.143 -5.222 137 2HG1 ILE 19 HG11 ILE 19 -2.274 4.259 -6.465 138 1HG2 ILE 19 HG21 ILE 19 0.521 2.910 -3.550 139 2HG2 ILE 19 HG22 ILE 19 -0.054 1.819 -4.810 140 3HG2 ILE 19 HG23 ILE 19 -1.128 2.288 -3.492 141 1HD1 ILE 19 HD11 ILE 19 -0.887 2.506 -7.424 142 2HD1 ILE 19 HD12 ILE 19 -2.579 2.014 -7.340 143 3HD1 ILE 19 HD13 ILE 19 -1.420 1.392 -6.166 144 H ALA 20 HN ALA 20 -1.256 5.322 -1.529 145 HA ALA 20 HA ALA 20 1.601 6.012 -1.403 146 1HB ALA 20 HB1 ALA 20 0.659 6.830 0.992 147 2HB ALA 20 HB2 ALA 20 -0.767 7.073 -0.018 148 3HB ALA 20 HB3 ALA 20 0.750 7.857 -0.437 149 H ILE 21 HN ILE 21 2.493 4.035 -1.163 150 HA ILE 21 HA ILE 21 1.472 2.271 0.924 151 HB ILE 21 HB ILE 21 3.646 1.800 -1.123 152 1HG1 ILE 21 HG12 ILE 21 0.839 0.688 -0.892 153 2HG1 ILE 21 HG11 ILE 21 1.373 1.885 -2.069 154 1HG2 ILE 21 HG21 ILE 21 4.096 0.567 0.930 155 2HG2 ILE 21 HG22 ILE 21 3.608 -0.529 -0.362 156 3HG2 ILE 21 HG23 ILE 21 2.462 -0.094 0.905 157 1HD1 ILE 21 HD11 ILE 21 2.337 -0.959 -1.870 158 2HD1 ILE 21 HD12 ILE 21 2.894 0.235 -3.041 159 3HD1 ILE 21 HD13 ILE 21 1.217 -0.314 -3.070 160 H THR 22 HN THR 22 2.212 2.486 2.858 161 HA THR 22 HA THR 22 4.906 3.557 3.318 162 HB THR 22 HB THR 22 2.711 3.253 5.368 163 HG1 THR 22 HG1 THR 22 2.255 4.604 3.361 164 1HG2 THR 22 HG21 THR 22 5.139 5.043 5.185 165 2HG2 THR 22 HG22 THR 22 4.930 3.664 6.265 166 3HG2 THR 22 HG23 THR 22 3.929 5.102 6.467 167 H TYR 23 HN TYR 23 6.085 1.639 3.079 168 HA TYR 23 HA TYR 23 5.181 -0.632 4.681 169 1HB TYR 23 HB2 TYR 23 6.805 -1.974 3.327 170 2HB TYR 23 HB1 TYR 23 5.477 -1.275 2.418 171 HD1 TYR 23 HD1 TYR 23 5.989 0.946 1.156 172 HD2 TYR 23 HD2 TYR 23 8.986 -1.711 2.589 173 HE1 TYR 23 HE1 TYR 23 7.583 1.878 -0.469 174 HE2 TYR 23 HE2 TYR 23 10.588 -0.783 0.974 175 HH TYR 23 HH TYR 23 10.497 0.405 -1.234 176 H VAL 24 HN VAL 24 6.229 -1.408 6.319 177 HA VAL 24 HA VAL 24 8.606 0.018 7.257 178 HB VAL 24 HB VAL 24 6.648 -1.769 8.717 179 1HG1 VAL 24 HG11 VAL 24 7.833 -1.150 10.764 180 2HG1 VAL 24 HG12 VAL 24 9.034 -0.279 9.808 181 3HG1 VAL 24 HG13 VAL 24 8.884 -2.030 9.654 182 1HG2 VAL 24 HG21 VAL 24 7.160 1.194 8.905 183 2HG2 VAL 24 HG22 VAL 24 6.030 0.278 9.903 184 3HG2 VAL 24 HG23 VAL 24 5.753 0.427 8.168 185 H TYR 25 HN TYR 25 10.483 -0.911 6.935 186 HA TYR 25 HA TYR 25 10.586 -3.835 6.800 187 1HB TYR 25 HB2 TYR 25 12.792 -3.457 5.598 188 2HB TYR 25 HB1 TYR 25 11.339 -3.008 4.718 189 HD1 TYR 25 HD1 TYR 25 14.504 -1.884 6.006 190 HD2 TYR 25 HD2 TYR 25 10.721 -0.551 4.580 191 HE1 TYR 25 HE1 TYR 25 15.451 0.343 5.577 192 HE2 TYR 25 HE2 TYR 25 11.660 1.684 4.154 193 HH TYR 25 HH TYR 25 14.996 2.288 4.149 194 H LYS 26 HN LYS 26 11.858 -4.950 8.102 195 HA LYS 26 HA LYS 26 13.302 -3.416 10.158 196 1HB LYS 26 HB2 LYS 26 11.181 -4.746 10.798 197 2HB LYS 26 HB1 LYS 26 12.162 -6.180 10.538 198 1HG LYS 26 HG2 LYS 26 13.677 -5.528 12.280 199 2HG LYS 26 HG1 LYS 26 12.847 -3.982 12.474 200 1HD LYS 26 HD2 LYS 26 10.787 -5.227 13.096 201 2HD LYS 26 HD1 LYS 26 11.719 -6.726 13.033 202 1HE LYS 26 HE2 LYS 26 13.213 -5.857 14.767 203 2HE LYS 26 HE1 LYS 26 12.269 -4.372 14.833 204 1HZ LYS 26 HZ1 LYS 26 11.701 -5.936 16.606 205 2HZ LYS 26 HZ2 LYS 26 11.213 -7.082 15.454 206 3HZ LYS 26 HZ3 LYS 26 10.373 -5.617 15.603 207 H GLY 27 HN GLY 27 15.389 -3.525 9.650 208 1HA GLY 27 HA2 GLY 27 17.450 -4.517 9.216 209 2HA GLY 27 HA1 GLY 27 16.644 -6.076 9.087 210 H ASP 28 HN ASP 28 16.590 -6.925 7.112 211 HA ASP 28 HA ASP 28 16.862 -5.091 4.816 212 1HB ASP 28 HB2 ASP 28 17.956 -6.838 3.612 213 2HB ASP 28 HB1 ASP 28 18.702 -6.777 5.204 214 H LYS 29 HN LYS 29 14.656 -7.001 6.401 215 HA LYS 29 HA LYS 29 13.218 -7.673 3.921 216 1HB LYS 29 HB2 LYS 29 13.926 -9.564 5.434 217 2HB LYS 29 HB1 LYS 29 12.833 -8.917 6.645 218 1HG LYS 29 HG2 LYS 29 10.942 -9.271 5.152 219 2HG LYS 29 HG1 LYS 29 12.033 -9.889 3.908 220 1HD LYS 29 HD2 LYS 29 11.557 -11.091 6.636 221 2HD LYS 29 HD1 LYS 29 10.982 -11.731 5.094 222 1HE LYS 29 HE2 LYS 29 13.217 -12.176 4.369 223 2HE LYS 29 HE1 LYS 29 13.891 -11.323 5.756 224 1HZ LYS 29 HZ1 LYS 29 14.026 -13.676 6.103 225 2HZ LYS 29 HZ2 LYS 29 12.365 -13.874 5.826 226 3HZ LYS 29 HZ3 LYS 29 12.904 -13.026 7.195 227 H VAL 30 HN VAL 30 11.228 -6.862 3.590 228 HA VAL 30 HA VAL 30 10.193 -4.888 5.408 229 HB VAL 30 HB VAL 30 8.734 -5.968 3.005 230 1HG1 VAL 30 HG11 VAL 30 8.768 -3.253 4.316 231 2HG1 VAL 30 HG12 VAL 30 7.498 -4.467 4.479 232 3HG1 VAL 30 HG13 VAL 30 7.802 -3.712 2.914 233 1HG2 VAL 30 HG21 VAL 30 9.845 -4.253 1.643 234 2HG2 VAL 30 HG22 VAL 30 10.991 -5.443 2.260 235 3HG2 VAL 30 HG23 VAL 30 10.885 -3.851 3.010 236 H LEU 31 HN LEU 31 8.867 -5.348 7.081 237 HA LEU 31 HA LEU 31 7.713 -8.056 7.113 238 1HB LEU 31 HB2 LEU 31 8.693 -6.351 9.397 239 2HB LEU 31 HB1 LEU 31 7.870 -7.888 9.594 240 HG LEU 31 HG LEU 31 10.542 -7.455 8.255 241 1HD1 LEU 31 HD11 LEU 31 11.410 -8.782 10.113 242 2HD1 LEU 31 HD12 LEU 31 9.796 -8.840 10.824 243 3HD1 LEU 31 HD13 LEU 31 10.642 -7.298 10.679 244 1HD2 LEU 31 HD21 LEU 31 8.968 -9.992 8.678 245 2HD2 LEU 31 HD22 LEU 31 10.627 -9.900 8.087 246 3HD2 LEU 31 HD23 LEU 31 9.311 -9.217 7.132 247 H LYS 32 HN LYS 32 6.825 -4.896 6.835 248 HA LYS 32 HA LYS 32 4.067 -5.569 7.349 249 1HB LYS 32 HB2 LYS 32 5.581 -3.632 9.054 250 2HB LYS 32 HB1 LYS 32 3.910 -3.264 8.652 251 1HG LYS 32 HG2 LYS 32 3.105 -5.161 9.775 252 2HG LYS 32 HG1 LYS 32 4.707 -5.897 9.851 253 1HD LYS 32 HD2 LYS 32 5.447 -4.294 11.453 254 2HD LYS 32 HD1 LYS 32 3.990 -3.324 11.241 255 1HE LYS 32 HE2 LYS 32 3.992 -4.672 13.320 256 2HE LYS 32 HE1 LYS 32 2.637 -5.026 12.252 257 1HZ LYS 32 HZ1 LYS 32 5.115 -6.668 12.462 258 2HZ LYS 32 HZ2 LYS 32 3.754 -7.019 11.510 259 3HZ LYS 32 HZ3 LYS 32 3.632 -7.030 13.194 260 H GLN 33 HN GLN 33 2.793 -4.597 5.877 261 HA GLN 33 HA GLN 33 3.930 -2.303 4.423 262 1HB GLN 33 HB2 GLN 33 3.935 -4.470 3.145 263 2HB GLN 33 HB1 GLN 33 2.180 -4.457 3.235 264 1HG GLN 33 HG2 GLN 33 2.125 -2.363 1.991 265 2HG GLN 33 HG1 GLN 33 3.887 -2.361 1.914 266 1HE2 GLN 33 HE21 GLN 33 3.962 -2.442 -0.312 267 2HE2 GLN 33 HE22 GLN 33 3.513 -3.843 -1.212 268 H SER 34 HN SER 34 2.785 -0.632 5.278 269 HA SER 34 HA SER 34 -0.100 -0.835 5.509 270 1HB SER 34 HB2 SER 34 1.719 1.563 5.885 271 2HB SER 34 HB1 SER 34 0.002 1.502 6.280 272 HG SER 34 HG SER 34 1.565 -0.484 7.419 273 H SER 35 HN SER 35 -0.827 -1.157 3.437 274 HA SER 35 HA SER 35 0.025 0.734 1.369 275 1HB SER 35 HB2 SER 35 0.102 -1.696 0.842 276 2HB SER 35 HB1 SER 35 -1.635 -1.796 1.128 277 HG SER 35 HG SER 35 -2.018 -0.793 -0.719 278 H GLU 36 HN GLU 36 -1.139 2.515 1.313 279 HA GLU 36 HA GLU 36 -4.031 2.311 1.779 280 1HB GLU 36 HB2 GLU 36 -3.033 3.360 3.690 281 2HB GLU 36 HB1 GLU 36 -2.094 4.435 2.675 282 1HG GLU 36 HG2 GLU 36 -4.167 5.518 1.931 283 2HG GLU 36 HG1 GLU 36 -5.082 4.454 3.000 284 H THR 37 HN THR 37 -5.104 2.719 -0.006 285 HA THR 37 HA THR 37 -3.904 4.464 -2.029 286 HB THR 37 HB THR 37 -5.724 3.625 -3.517 287 HG1 THR 37 HG1 THR 37 -6.369 1.437 -2.041 288 1HG2 THR 37 HG21 THR 37 -4.807 1.360 -3.790 289 2HG2 THR 37 HG22 THR 37 -4.022 1.498 -2.216 290 3HG2 THR 37 HG23 THR 37 -3.533 2.554 -3.540 291 H LYS 38 HN LYS 38 -4.475 6.520 -2.051 292 HA LYS 38 HA LYS 38 -6.872 7.437 -0.732 293 1HB LYS 38 HB2 LYS 38 -4.690 8.666 -0.619 294 2HB LYS 38 HB1 LYS 38 -4.870 9.028 -2.327 295 1HG LYS 38 HG2 LYS 38 -6.810 10.358 -1.918 296 2HG LYS 38 HG1 LYS 38 -6.851 9.860 -0.223 297 1HD LYS 38 HD2 LYS 38 -4.726 10.966 0.175 298 2HD LYS 38 HD1 LYS 38 -4.612 11.407 -1.526 299 1HE LYS 38 HE2 LYS 38 -6.587 12.803 -1.316 300 2HE LYS 38 HE1 LYS 38 -6.768 12.321 0.370 301 1HZ LYS 38 HZ1 LYS 38 -4.439 13.794 -0.750 302 2HZ LYS 38 HZ2 LYS 38 -4.662 13.370 0.879 303 3HZ LYS 38 HZ3 LYS 38 -5.702 14.489 0.146 304 H ILE 39 HN ILE 39 -8.639 6.846 -1.818 305 HA ILE 39 HA ILE 39 -8.688 7.160 -4.733 306 HB ILE 39 HB ILE 39 -10.697 5.733 -2.983 307 1HG1 ILE 39 HG12 ILE 39 -8.400 4.548 -4.561 308 2HG1 ILE 39 HG11 ILE 39 -8.439 4.711 -2.809 309 1HG2 ILE 39 HG21 ILE 39 -10.193 5.638 -5.956 310 2HG2 ILE 39 HG22 ILE 39 -11.556 6.419 -5.155 311 3HG2 ILE 39 HG23 ILE 39 -11.378 4.665 -5.083 312 1HD1 ILE 39 HD11 ILE 39 -8.971 2.446 -3.509 313 2HD1 ILE 39 HD12 ILE 39 -10.328 3.051 -4.462 314 3HD1 ILE 39 HD13 ILE 39 -10.346 3.203 -2.704 315 H GLN 40 HN GLN 40 -9.243 9.257 -5.139 316 HA GLN 40 HA GLN 40 -11.323 10.661 -3.837 317 1HB GLN 40 HB2 GLN 40 -10.123 10.931 -6.597 318 2HB GLN 40 HB1 GLN 40 -11.398 11.990 -6.018 319 1HG GLN 40 HG2 GLN 40 -9.328 13.111 -5.735 320 2HG GLN 40 HG1 GLN 40 -9.913 12.651 -4.139 321 1HE2 GLN 40 HE21 GLN 40 -7.853 12.809 -3.269 322 2HE2 GLN 40 HE22 GLN 40 -6.620 11.631 -3.588 323 H PHE 41 HN PHE 41 -13.515 10.941 -4.461 324 HA PHE 41 HA PHE 41 -14.783 8.564 -5.232 325 1HB PHE 41 HB2 PHE 41 -15.820 11.383 -5.001 326 2HB PHE 41 HB1 PHE 41 -16.856 10.019 -5.410 327 HD1 PHE 41 HD1 PHE 41 -17.352 11.704 -3.053 328 HD2 PHE 41 HD2 PHE 41 -14.927 8.236 -3.500 329 HE1 PHE 41 HE1 PHE 41 -17.643 11.194 -0.665 330 HE2 PHE 41 HE2 PHE 41 -15.212 7.722 -1.112 331 HZ PHE 41 HZ PHE 41 -16.575 9.201 0.304 332 H ALA 42 HN ALA 42 -13.564 11.161 -7.139 333 HA ALA 42 HA ALA 42 -15.115 10.632 -9.478 334 1HB ALA 42 HB1 ALA 42 -14.077 12.810 -9.081 335 2HB ALA 42 HB2 ALA 42 -13.544 12.111 -10.610 336 3HB ALA 42 HB3 ALA 42 -12.479 12.071 -9.203 337 H SER 43 HN SER 43 -12.383 9.144 -8.034 338 HA SER 43 HA SER 43 -11.395 7.995 -10.511 339 1HB SER 43 HB2 SER 43 -9.810 8.687 -8.739 340 2HB SER 43 HB1 SER 43 -10.530 7.505 -7.646 341 HG SER 43 HG SER 43 -9.955 6.064 -9.650 342 H ILE 44 HN ILE 44 -13.707 7.273 -8.147 343 HA ILE 44 HA ILE 44 -13.751 4.442 -8.951 344 HB ILE 44 HB ILE 44 -13.493 4.595 -6.581 345 1HG1 ILE 44 HG12 ILE 44 -16.376 3.979 -7.261 346 2HG1 ILE 44 HG11 ILE 44 -15.026 2.851 -7.314 347 1HG2 ILE 44 HG21 ILE 44 -15.038 5.814 -5.131 348 2HG2 ILE 44 HG22 ILE 44 -15.881 6.430 -6.552 349 3HG2 ILE 44 HG23 ILE 44 -14.205 6.890 -6.252 350 1HD1 ILE 44 HD11 ILE 44 -14.766 3.056 -4.896 351 2HD1 ILE 44 HD12 ILE 44 -16.380 2.503 -5.339 352 3HD1 ILE 44 HD13 ILE 44 -16.125 4.179 -4.849 353 H GLY 45 HN GLY 45 -15.522 7.423 -8.899 354 1HA GLY 45 HA2 GLY 45 -17.343 7.962 -10.262 355 2HA GLY 45 HA1 GLY 45 -17.567 6.249 -10.602 356 H ALA 46 HN ALA 46 -17.249 7.670 -7.413 357 HA ALA 46 HA ALA 46 -19.876 6.545 -6.747 358 1HB ALA 46 HB1 ALA 46 -17.981 5.736 -5.423 359 2HB ALA 46 HB2 ALA 46 -19.138 6.616 -4.423 360 3HB ALA 46 HB3 ALA 46 -17.630 7.388 -4.914 361 H THR 47 HN THR 47 -21.525 7.882 -6.584 362 HA THR 47 HA THR 47 -21.191 10.718 -6.534 363 HB THR 47 HB THR 47 -23.782 10.551 -6.154 364 HG1 THR 47 HG1 THR 47 -23.614 8.238 -5.632 365 1HG2 THR 47 HG21 THR 47 -22.729 11.267 -8.238 366 2HG2 THR 47 HG22 THR 47 -24.093 10.200 -8.568 367 3HG2 THR 47 HG23 THR 47 -22.445 9.584 -8.687 368 H THR 48 HN THR 48 -21.894 8.241 -4.186 369 HA THR 48 HA THR 48 -21.836 10.271 -2.054 370 HB THR 48 HB THR 48 -23.401 7.730 -1.722 371 HG1 THR 48 HG1 THR 48 -24.406 8.483 -3.516 372 1HG2 THR 48 HG21 THR 48 -23.024 9.153 0.227 373 2HG2 THR 48 HG22 THR 48 -24.733 9.130 -0.209 374 3HG2 THR 48 HG23 THR 48 -23.736 10.524 -0.624 375 H LYS 49 HN LYS 49 -20.875 9.507 -0.050 376 HA LYS 49 HA LYS 49 -18.767 7.651 -0.340 377 1HB LYS 49 HB2 LYS 49 -18.573 7.789 2.141 378 2HB LYS 49 HB1 LYS 49 -18.598 9.353 1.343 379 1HG LYS 49 HG2 LYS 49 -20.967 9.600 1.938 380 2HG LYS 49 HG1 LYS 49 -20.899 8.050 2.780 381 1HD LYS 49 HD2 LYS 49 -19.248 8.920 4.322 382 2HD LYS 49 HD1 LYS 49 -19.188 10.448 3.439 383 1HE LYS 49 HE2 LYS 49 -20.557 10.717 5.402 384 2HE LYS 49 HE1 LYS 49 -21.574 10.803 3.965 385 1HZ LYS 49 HZ1 LYS 49 -21.948 8.315 4.400 386 2HZ LYS 49 HZ2 LYS 49 -22.755 9.436 5.378 387 3HZ LYS 49 HZ3 LYS 49 -21.378 8.644 5.965 388 H GLU 50 HN GLU 50 -22.100 7.293 0.555 389 HA GLU 50 HA GLU 50 -22.048 4.668 1.544 390 1HB GLU 50 HB2 GLU 50 -24.036 6.113 1.654 391 2HB GLU 50 HB1 GLU 50 -24.184 6.055 -0.095 392 1HG GLU 50 HG2 GLU 50 -24.120 3.405 1.066 393 2HG GLU 50 HG1 GLU 50 -25.421 4.390 1.733 394 H ASP 51 HN ASP 51 -22.371 5.922 -1.761 395 HA ASP 51 HA ASP 51 -22.514 3.454 -3.091 396 1HB ASP 51 HB2 ASP 51 -21.381 6.087 -4.072 397 2HB ASP 51 HB1 ASP 51 -21.722 4.700 -5.098 398 H ALA 52 HN ALA 52 -19.803 5.430 -2.047 399 HA ALA 52 HA ALA 52 -17.732 3.993 -3.264 400 1HB ALA 52 HB1 ALA 52 -16.264 5.024 -1.620 401 2HB ALA 52 HB2 ALA 52 -17.660 5.494 -0.649 402 3HB ALA 52 HB3 ALA 52 -17.420 6.199 -2.247 403 H ALA 53 HN ALA 53 -19.067 3.687 0.042 404 HA ALA 53 HA ALA 53 -17.506 1.472 0.791 405 1HB ALA 53 HB1 ALA 53 -18.753 2.838 2.399 406 2HB ALA 53 HB2 ALA 53 -19.126 1.122 2.567 407 3HB ALA 53 HB3 ALA 53 -20.269 2.198 1.760 408 H LYS 54 HN LYS 54 -20.694 1.685 -0.687 409 HA LYS 54 HA LYS 54 -21.375 -1.015 -0.749 410 1HB LYS 54 HB2 LYS 54 -22.872 0.883 -1.248 411 2HB LYS 54 HB1 LYS 54 -22.010 1.160 -2.750 412 1HG LYS 54 HG2 LYS 54 -22.813 -0.892 -3.669 413 2HG LYS 54 HG1 LYS 54 -23.505 -1.371 -2.114 414 1HD LYS 54 HD2 LYS 54 -25.208 -0.483 -3.667 415 2HD LYS 54 HD1 LYS 54 -25.063 0.486 -2.199 416 1HE LYS 54 HE2 LYS 54 -23.329 1.819 -3.686 417 2HE LYS 54 HE1 LYS 54 -24.291 1.139 -4.997 418 1HZ LYS 54 HZ1 LYS 54 -25.355 2.748 -2.736 419 2HZ LYS 54 HZ2 LYS 54 -26.261 2.141 -4.040 420 3HZ LYS 54 HZ3 LYS 54 -25.079 3.327 -4.306 421 H THR 55 HN THR 55 -19.020 0.718 -2.575 422 HA THR 55 HA THR 55 -18.754 -1.449 -4.523 423 HB THR 55 HB THR 55 -17.241 1.163 -4.460 424 HG1 THR 55 HG1 THR 55 -19.498 1.552 -4.634 425 1HG2 THR 55 HG21 THR 55 -16.895 0.703 -6.844 426 2HG2 THR 55 HG22 THR 55 -17.778 -0.815 -6.682 427 3HG2 THR 55 HG23 THR 55 -16.241 -0.597 -5.846 428 H LEU 56 HN LEU 56 -16.931 0.199 -1.957 429 HA LEU 56 HA LEU 56 -14.529 -1.272 -2.669 430 1HB LEU 56 HB2 LEU 56 -14.920 0.831 -0.552 431 2HB LEU 56 HB1 LEU 56 -13.387 0.159 -1.073 432 HG LEU 56 HG LEU 56 -15.242 1.780 -2.816 433 1HD1 LEU 56 HD11 LEU 56 -14.241 3.136 -1.061 434 2HD1 LEU 56 HD12 LEU 56 -13.540 3.527 -2.632 435 3HD1 LEU 56 HD13 LEU 56 -12.641 2.529 -1.488 436 1HD2 LEU 56 HD21 LEU 56 -12.448 0.758 -3.308 437 2HD2 LEU 56 HD22 LEU 56 -13.373 1.802 -4.387 438 3HD2 LEU 56 HD23 LEU 56 -13.920 0.155 -4.070 439 H GLU 57 HN GLU 57 -16.978 -1.430 -0.170 440 HA GLU 57 HA GLU 57 -15.430 -2.715 1.789 441 1HB GLU 57 HB2 GLU 57 -18.384 -2.909 1.233 442 2HB GLU 57 HB1 GLU 57 -17.606 -3.672 2.612 443 1HG GLU 57 HG2 GLU 57 -16.733 -1.372 3.207 444 2HG GLU 57 HG1 GLU 57 -17.861 -0.746 2.009 445 HA PRO 58 HA PRO 58 -16.529 -6.927 -0.339 446 1HB PRO 58 HB2 PRO 58 -17.296 -6.794 -2.951 447 2HB PRO 58 HB1 PRO 58 -18.439 -6.863 -1.605 448 1HG PRO 58 HG2 PRO 58 -17.504 -4.497 -3.179 449 2HG PRO 58 HG1 PRO 58 -19.138 -4.894 -2.614 450 1HD PRO 58 HD2 PRO 58 -17.558 -3.095 -1.350 451 2HD PRO 58 HD1 PRO 58 -18.727 -4.108 -0.483 452 H LEU 59 HN LEU 59 -14.843 -4.246 -1.451 453 HA LEU 59 HA LEU 59 -13.183 -5.620 -3.385 454 1HB LEU 59 HB2 LEU 59 -13.783 -3.210 -3.601 455 2HB LEU 59 HB1 LEU 59 -12.848 -2.881 -2.156 456 HG LEU 59 HG LEU 59 -10.850 -3.854 -3.423 457 1HD1 LEU 59 HD11 LEU 59 -12.102 -4.942 -5.198 458 2HD1 LEU 59 HD12 LEU 59 -10.997 -3.733 -5.855 459 3HD1 LEU 59 HD13 LEU 59 -12.721 -3.379 -5.731 460 1HD2 LEU 59 HD21 LEU 59 -10.418 -1.728 -4.548 461 2HD2 LEU 59 HD22 LEU 59 -11.116 -1.478 -2.948 462 3HD2 LEU 59 HD23 LEU 59 -12.120 -1.296 -4.387 463 H SER 60 HN SER 60 -12.858 -4.289 -0.102 464 HA SER 60 HA SER 60 -10.138 -5.160 0.169 465 1HB SER 60 HB2 SER 60 -10.404 -4.446 2.532 466 2HB SER 60 HB1 SER 60 -10.921 -3.202 1.395 467 HG SER 60 HG SER 60 -12.420 -4.752 3.173 468 H ALA 61 HN ALA 61 -13.151 -6.636 0.422 469 HA ALA 61 HA ALA 61 -12.763 -8.516 2.472 470 1HB ALA 61 HB1 ALA 61 -14.653 -9.696 1.512 471 2HB ALA 61 HB2 ALA 61 -14.509 -8.757 0.027 472 3HB ALA 61 HB3 ALA 61 -14.958 -7.960 1.535 473 H LYS 62 HN LYS 62 -10.938 -8.261 -0.214 474 HA LYS 62 HA LYS 62 -10.713 -11.030 -0.918 475 1HB LYS 62 HB2 LYS 62 -8.823 -8.740 -1.491 476 2HB LYS 62 HB1 LYS 62 -8.784 -10.323 -2.254 477 1HG LYS 62 HG2 LYS 62 -10.890 -9.916 -3.334 478 2HG LYS 62 HG1 LYS 62 -11.082 -8.392 -2.466 479 1HD LYS 62 HD2 LYS 62 -9.001 -7.576 -3.561 480 2HD LYS 62 HD1 LYS 62 -8.968 -9.061 -4.513 481 1HE LYS 62 HE2 LYS 62 -11.089 -8.501 -5.529 482 2HE LYS 62 HE1 LYS 62 -11.242 -7.078 -4.501 483 1HZ LYS 62 HZ1 LYS 62 -10.477 -6.438 -6.679 484 2HZ LYS 62 HZ2 LYS 62 -9.180 -7.525 -6.597 485 3HZ LYS 62 HZ3 LYS 62 -9.229 -6.182 -5.557 486 H TYR 63 HN TYR 63 -9.310 -8.929 1.444 487 HA TYR 63 HA TYR 63 -7.015 -10.640 1.904 488 1HB TYR 63 HB2 TYR 63 -7.992 -8.158 3.329 489 2HB TYR 63 HB1 TYR 63 -6.502 -9.009 3.725 490 HD1 TYR 63 HD1 TYR 63 -4.580 -8.912 2.238 491 HD2 TYR 63 HD2 TYR 63 -8.169 -6.824 1.303 492 HE1 TYR 63 HE1 TYR 63 -3.372 -7.607 0.540 493 HE2 TYR 63 HE2 TYR 63 -6.970 -5.515 -0.398 494 HH TYR 63 HH TYR 63 -4.667 -4.824 -0.911 495 H LYS 64 HN LYS 64 -9.807 -9.541 3.784 496 HA LYS 64 HA LYS 64 -10.892 -10.370 5.572 497 1HB LYS 64 HB2 LYS 64 -10.091 -12.967 4.296 498 2HB LYS 64 HB1 LYS 64 -11.207 -12.851 5.652 499 1HG LYS 64 HG2 LYS 64 -12.695 -11.456 4.293 500 2HG LYS 64 HG1 LYS 64 -11.583 -11.615 2.933 501 1HD LYS 64 HD2 LYS 64 -11.923 -14.042 2.946 502 2HD LYS 64 HD1 LYS 64 -13.042 -13.875 4.302 503 1HE LYS 64 HE2 LYS 64 -14.504 -12.476 2.913 504 2HE LYS 64 HE1 LYS 64 -13.390 -12.661 1.560 505 1HZ LYS 64 HZ1 LYS 64 -14.936 -14.827 2.875 506 2HZ LYS 64 HZ2 LYS 64 -13.799 -15.067 1.639 507 3HZ LYS 64 HZ3 LYS 64 -15.214 -14.183 1.332 508 H ASN 65 HN ASN 65 -8.508 -12.963 5.573 509 HA ASN 65 HA ASN 65 -7.839 -12.174 8.334 510 1HB ASN 65 HB2 ASN 65 -8.090 -14.494 9.071 511 2HB ASN 65 HB1 ASN 65 -9.595 -13.889 8.390 512 1HD2 ASN 65 HD21 ASN 65 -6.975 -16.119 8.021 513 2HD2 ASN 65 HD22 ASN 65 -7.639 -17.005 6.689 514 H ILE 66 HN ILE 66 -6.254 -12.098 5.747 515 HA ILE 66 HA ILE 66 -4.259 -14.114 5.879 516 HB ILE 66 HB ILE 66 -3.867 -11.314 4.815 517 1HG1 ILE 66 HG12 ILE 66 -4.843 -13.762 3.329 518 2HG1 ILE 66 HG11 ILE 66 -5.859 -12.407 3.817 519 1HG2 ILE 66 HG21 ILE 66 -2.184 -12.394 3.374 520 2HG2 ILE 66 HG22 ILE 66 -2.479 -13.922 4.203 521 3HG2 ILE 66 HG23 ILE 66 -1.804 -12.556 5.089 522 1HD1 ILE 66 HD11 ILE 66 -5.250 -12.232 1.484 523 2HD1 ILE 66 HD12 ILE 66 -3.540 -12.285 1.908 524 3HD1 ILE 66 HD13 ILE 66 -4.530 -10.916 2.411 525 H ALA 67 HN ALA 67 -3.512 -14.356 7.977 526 HA ALA 67 HA ALA 67 -2.152 -14.056 9.756 527 1HB ALA 67 HB1 ALA 67 -0.766 -12.026 8.017 528 2HB ALA 67 HB2 ALA 67 -0.462 -13.764 8.005 529 3HB ALA 67 HB3 ALA 67 -0.098 -12.815 9.446 530 H GLY 68 HN GLY 68 -1.775 -10.716 8.765 531 1HA GLY 68 HA2 GLY 68 -3.557 -9.843 10.916 532 2HA GLY 68 HA1 GLY 68 -1.875 -9.329 10.973 533 H VAL 69 HN VAL 69 -4.037 -9.691 8.193 534 HA VAL 69 HA VAL 69 -3.280 -7.061 7.284 535 HB VAL 69 HB VAL 69 -4.818 -7.551 5.345 536 1HG1 VAL 69 HG11 VAL 69 -3.290 -9.151 4.313 537 2HG1 VAL 69 HG12 VAL 69 -2.633 -9.558 5.898 538 3HG1 VAL 69 HG13 VAL 69 -2.412 -7.933 5.242 539 1HG2 VAL 69 HG21 VAL 69 -5.544 -9.871 5.031 540 2HG2 VAL 69 HG22 VAL 69 -6.313 -9.130 6.434 541 3HG2 VAL 69 HG23 VAL 69 -4.978 -10.263 6.656 542 H GLU 70 HN GLU 70 -4.162 -5.365 8.129 543 HA GLU 70 HA GLU 70 -6.941 -5.404 9.015 544 1HB GLU 70 HB2 GLU 70 -4.703 -3.413 9.353 545 2HB GLU 70 HB1 GLU 70 -6.356 -3.079 9.847 546 1HG GLU 70 HG2 GLU 70 -4.786 -5.440 10.836 547 2HG GLU 70 HG1 GLU 70 -4.824 -3.879 11.658 548 H GLU 71 HN GLU 71 -8.357 -5.082 7.453 549 HA GLU 71 HA GLU 71 -7.776 -3.195 5.302 550 1HB GLU 71 HB2 GLU 71 -9.978 -4.097 4.382 551 2HB GLU 71 HB1 GLU 71 -8.645 -5.239 4.479 552 1HG GLU 71 HG2 GLU 71 -9.563 -6.243 6.448 553 2HG GLU 71 HG1 GLU 71 -10.812 -5.006 6.550 554 H LYS 72 HN LYS 72 -8.047 -1.159 6.152 555 HA LYS 72 HA LYS 72 -10.688 -0.609 7.332 556 1HB LYS 72 HB2 LYS 72 -7.985 0.495 8.009 557 2HB LYS 72 HB1 LYS 72 -9.440 1.418 8.364 558 1HG LYS 72 HG2 LYS 72 -10.290 -0.425 9.716 559 2HG LYS 72 HG1 LYS 72 -8.842 -1.364 9.348 560 1HD LYS 72 HD2 LYS 72 -7.456 0.154 10.545 561 2HD LYS 72 HD1 LYS 72 -8.767 1.326 10.700 562 1HE LYS 72 HE2 LYS 72 -8.388 0.101 12.790 563 2HE LYS 72 HE1 LYS 72 -9.995 -0.204 12.134 564 1HZ LYS 72 HZ1 LYS 72 -8.956 -2.237 12.929 565 2HZ LYS 72 HZ2 LYS 72 -7.652 -2.013 11.876 566 3HZ LYS 72 HZ3 LYS 72 -9.199 -2.311 11.252 567 H LEU 73 HN LEU 73 -11.959 0.450 6.053 568 HA LEU 73 HA LEU 73 -10.849 2.224 4.001 569 1HB LEU 73 HB2 LEU 73 -13.573 0.980 4.366 570 2HB LEU 73 HB1 LEU 73 -13.204 2.143 3.108 571 HG LEU 73 HG LEU 73 -11.710 -0.458 3.373 572 1HD1 LEU 73 HD11 LEU 73 -13.175 -1.339 1.628 573 2HD1 LEU 73 HD12 LEU 73 -14.157 0.124 1.710 574 3HD1 LEU 73 HD13 LEU 73 -14.079 -0.965 3.095 575 1HD2 LEU 73 HD21 LEU 73 -12.092 1.495 1.104 576 2HD2 LEU 73 HD22 LEU 73 -11.193 -0.022 1.014 577 3HD2 LEU 73 HD23 LEU 73 -10.625 1.279 2.060 578 H THR 74 HN THR 74 -10.600 4.252 4.751 579 HA THR 74 HA THR 74 -12.616 5.295 6.608 580 HB THR 74 HB THR 74 -10.905 7.164 6.929 581 HG1 THR 74 HG1 THR 74 -8.952 5.367 6.043 582 1HG2 THR 74 HG21 THR 74 -11.264 5.381 8.574 583 2HG2 THR 74 HG22 THR 74 -9.562 5.833 8.485 584 3HG2 THR 74 HG23 THR 74 -10.122 4.351 7.709 585 H TYR 75 HN TYR 75 -14.214 6.303 5.647 586 HA TYR 75 HA TYR 75 -13.763 7.778 3.168 587 1HB TYR 75 HB2 TYR 75 -16.383 7.269 4.597 588 2HB TYR 75 HB1 TYR 75 -16.165 7.806 2.934 589 HD1 TYR 75 HD1 TYR 75 -16.225 4.959 5.187 590 HD2 TYR 75 HD2 TYR 75 -15.321 6.215 1.225 591 HE1 TYR 75 HE1 TYR 75 -16.236 2.617 4.448 592 HE2 TYR 75 HE2 TYR 75 -15.334 3.875 0.475 593 HH TYR 75 HH TYR 75 -16.467 1.311 2.482 594 H THR 76 HN THR 76 -13.102 9.816 3.439 595 HA THR 76 HA THR 76 -13.625 11.209 5.904 596 HB THR 76 HB THR 76 -12.284 13.052 4.836 597 HG1 THR 76 HG1 THR 76 -11.603 11.162 2.837 598 1HG2 THR 76 HG21 THR 76 -11.025 10.306 4.910 599 2HG2 THR 76 HG22 THR 76 -11.233 11.390 6.285 600 3HG2 THR 76 HG23 THR 76 -10.153 11.838 4.965 601 H ASP 77 HN ASP 77 -13.843 12.497 2.643 602 HA ASP 77 HA ASP 77 -16.590 13.361 3.103 603 1HB ASP 77 HB2 ASP 77 -15.301 15.229 3.958 604 2HB ASP 77 HB1 ASP 77 -14.330 15.275 2.489 605 H THR 78 HN THR 78 -13.919 13.936 0.805 606 HA THR 78 HA THR 78 -15.766 13.153 -1.350 607 HB THR 78 HB THR 78 -15.248 15.564 -1.389 608 HG1 THR 78 HG1 THR 78 -14.144 14.014 -3.512 609 1HG2 THR 78 HG21 THR 78 -12.989 16.332 -1.951 610 2HG2 THR 78 HG22 THR 78 -12.392 14.677 -1.814 611 3HG2 THR 78 HG23 THR 78 -13.021 15.509 -0.391 612 H TYR 79 HN TYR 79 -13.278 12.010 0.330 613 HA TYR 79 HA TYR 79 -12.394 10.344 -1.868 614 1HB TYR 79 HB2 TYR 79 -9.985 10.636 -1.264 615 2HB TYR 79 HB1 TYR 79 -10.717 12.070 -1.971 616 HD1 TYR 79 HD1 TYR 79 -9.029 10.687 0.910 617 HD2 TYR 79 HD2 TYR 79 -11.321 13.990 -0.479 618 HE1 TYR 79 HE1 TYR 79 -8.253 12.024 2.823 619 HE2 TYR 79 HE2 TYR 79 -10.555 15.335 1.427 620 HH TYR 79 HH TYR 79 -7.974 14.437 3.391 621 H ALA 80 HN ALA 80 -11.635 8.344 -1.230 622 HA ALA 80 HA ALA 80 -12.054 7.707 1.614 623 1HB ALA 80 HB1 ALA 80 -13.683 6.650 0.122 624 2HB ALA 80 HB2 ALA 80 -12.638 5.449 0.885 625 3HB ALA 80 HB3 ALA 80 -12.366 5.915 -0.795 626 H GLN 81 HN GLN 81 -10.421 6.784 2.713 627 HA GLN 81 HA GLN 81 -7.959 6.222 1.224 628 1HB GLN 81 HB2 GLN 81 -8.395 6.666 4.187 629 2HB GLN 81 HB1 GLN 81 -6.839 6.344 3.436 630 1HG GLN 81 HG2 GLN 81 -6.987 8.413 2.184 631 2HG GLN 81 HG1 GLN 81 -8.585 8.726 2.857 632 1HE2 GLN 81 HE21 GLN 81 -5.938 7.371 4.722 633 2HE2 GLN 81 HE22 GLN 81 -5.702 8.761 5.728 634 H GLU 82 HN GLU 82 -7.819 4.175 0.615 635 HA GLU 82 HA GLU 82 -8.949 2.035 2.211 636 1HB GLU 82 HB2 GLU 82 -9.062 1.869 -0.229 637 2HB GLU 82 HB1 GLU 82 -7.315 2.005 -0.343 638 1HG GLU 82 HG2 GLU 82 -7.218 -0.127 1.040 639 2HG GLU 82 HG1 GLU 82 -8.940 -0.286 0.699 640 H ASN 83 HN ASN 83 -7.745 2.196 4.126 641 HA ASN 83 HA ASN 83 -4.844 2.044 3.935 642 1HB ASN 83 HB2 ASN 83 -6.106 3.565 5.572 643 2HB ASN 83 HB1 ASN 83 -6.484 2.104 6.474 644 1HD2 ASN 83 HD21 ASN 83 -3.805 0.947 5.764 645 2HD2 ASN 83 HD22 ASN 83 -2.696 1.757 6.808 646 H VAL 84 HN VAL 84 -4.352 0.003 3.295 647 HA VAL 84 HA VAL 84 -5.449 -2.223 4.883 648 HB VAL 84 HB VAL 84 -3.890 -2.353 2.292 649 1HG1 VAL 84 HG11 VAL 84 -4.644 -4.686 2.224 650 2HG1 VAL 84 HG12 VAL 84 -5.401 -4.482 3.803 651 3HG1 VAL 84 HG13 VAL 84 -3.648 -4.364 3.643 652 1HG2 VAL 84 HG21 VAL 84 -6.852 -2.654 2.773 653 2HG2 VAL 84 HG22 VAL 84 -6.025 -2.899 1.234 654 3HG2 VAL 84 HG23 VAL 84 -6.066 -1.296 1.967 655 H THR 85 HN THR 85 -4.234 -3.002 6.467 656 HA THR 85 HA THR 85 -1.356 -2.410 6.425 657 HB THR 85 HB THR 85 -2.998 -3.334 8.791 658 HG1 THR 85 HG1 THR 85 -3.607 -1.219 7.863 659 1HG2 THR 85 HG21 THR 85 -0.283 -2.019 8.608 660 2HG2 THR 85 HG22 THR 85 -0.586 -3.715 8.984 661 3HG2 THR 85 HG23 THR 85 -1.119 -2.456 10.098 662 H ILE 86 HN ILE 86 -0.417 -4.041 5.346 663 HA ILE 86 HA ILE 86 -1.344 -6.779 5.757 664 HB ILE 86 HB ILE 86 0.757 -5.733 3.848 665 1HG1 ILE 86 HG12 ILE 86 -2.137 -6.447 3.312 666 2HG1 ILE 86 HG11 ILE 86 -1.509 -4.805 3.417 667 1HG2 ILE 86 HG21 ILE 86 -0.669 -8.388 3.982 668 2HG2 ILE 86 HG22 ILE 86 1.031 -8.093 4.346 669 3HG2 ILE 86 HG23 ILE 86 0.432 -7.884 2.700 670 1HD1 ILE 86 HD11 ILE 86 -1.793 -5.510 1.109 671 2HD1 ILE 86 HD12 ILE 86 -0.704 -6.870 1.382 672 3HD1 ILE 86 HD13 ILE 86 -0.093 -5.219 1.479 673 H ASP 87 HN ASP 87 -0.458 -7.826 7.450 674 HA ASP 87 HA ASP 87 2.145 -7.196 8.451 675 1HB ASP 87 HB2 ASP 87 0.336 -8.155 9.887 676 2HB ASP 87 HB1 ASP 87 0.512 -9.681 9.017 677 H MET 88 HN MET 88 3.897 -7.632 7.326 678 HA MET 88 HA MET 88 3.857 -9.815 5.403 679 1HB MET 88 HB2 MET 88 5.940 -7.677 5.849 680 2HB MET 88 HB1 MET 88 5.891 -8.813 4.507 681 1HG MET 88 HG2 MET 88 3.826 -7.832 3.714 682 2HG MET 88 HG1 MET 88 3.796 -6.735 5.095 683 1HE MET 88 HE1 MET 88 5.649 -7.751 1.813 684 2HE MET 88 HE2 MET 88 6.920 -7.866 3.029 685 3HE MET 88 HE3 MET 88 6.996 -6.613 1.790 686 H GLU 89 HN GLU 89 4.553 -9.547 8.554 687 HA GLU 89 HA GLU 89 6.962 -11.046 8.740 688 1HB GLU 89 HB2 GLU 89 4.672 -10.718 10.688 689 2HB GLU 89 HB1 GLU 89 6.174 -11.547 11.064 690 1HG GLU 89 HG2 GLU 89 7.407 -9.464 10.671 691 2HG GLU 89 HG1 GLU 89 5.882 -8.641 10.337 692 H LYS 90 HN LYS 90 3.554 -11.802 8.445 693 HA LYS 90 HA LYS 90 4.302 -14.601 7.964 694 1HB LYS 90 HB2 LYS 90 3.145 -13.996 10.263 695 2HB LYS 90 HB1 LYS 90 1.689 -13.990 9.278 696 1HG LYS 90 HG2 LYS 90 2.257 -16.277 8.507 697 2HG LYS 90 HG1 LYS 90 3.609 -16.276 9.637 698 1HD LYS 90 HD2 LYS 90 2.012 -15.925 11.490 699 2HD LYS 90 HD1 LYS 90 0.684 -16.035 10.330 700 1HE LYS 90 HE2 LYS 90 2.696 -18.181 10.992 701 2HE LYS 90 HE1 LYS 90 0.984 -18.172 11.414 702 1HZ LYS 90 HZ1 LYS 90 0.389 -18.375 9.132 703 2HZ LYS 90 HZ2 LYS 90 1.560 -19.563 9.452 704 3HZ LYS 90 HZ3 LYS 90 1.991 -18.155 8.618 705 H VAL 91 HN VAL 91 3.859 -12.515 6.040 706 HA VAL 91 HA VAL 91 1.328 -12.529 4.870 707 HB VAL 91 HB VAL 91 2.889 -12.523 2.647 708 1HG1 VAL 91 HG11 VAL 91 2.313 -10.246 4.523 709 2HG1 VAL 91 HG12 VAL 91 1.328 -10.805 3.170 710 3HG1 VAL 91 HG13 VAL 91 2.893 -10.055 2.868 711 1HG2 VAL 91 HG21 VAL 91 4.947 -12.896 3.870 712 2HG2 VAL 91 HG22 VAL 91 4.624 -11.489 4.884 713 3HG2 VAL 91 HG23 VAL 91 4.943 -11.281 3.162 714 H ASP 92 HN ASP 92 0.157 -14.029 3.856 715 HA ASP 92 HA ASP 92 1.386 -16.605 3.300 716 1HB ASP 92 HB2 ASP 92 -0.856 -16.551 4.326 717 2HB ASP 92 HB1 ASP 92 -1.479 -15.708 2.908 718 H PHE 93 HN PHE 93 2.624 -16.548 1.534 719 HA PHE 93 HA PHE 93 2.071 -14.818 -0.671 720 1HB PHE 93 HB2 PHE 93 4.117 -16.989 -0.235 721 2HB PHE 93 HB1 PHE 93 4.003 -16.092 -1.744 722 HD1 PHE 93 HD1 PHE 93 4.351 -13.614 -1.708 723 HD2 PHE 93 HD2 PHE 93 5.222 -16.100 1.633 724 HE1 PHE 93 HE1 PHE 93 5.795 -11.852 -0.782 725 HE2 PHE 93 HE2 PHE 93 6.666 -14.340 2.569 726 HZ PHE 93 HZ PHE 93 6.954 -12.213 1.360 727 H LYS 94 HN LYS 94 0.554 -17.592 0.150 728 HA LYS 94 HA LYS 94 0.430 -18.723 -2.528 729 1HB LYS 94 HB2 LYS 94 0.539 -20.208 -0.538 730 2HB LYS 94 HB1 LYS 94 -1.017 -19.581 -0.016 731 1HG LYS 94 HG2 LYS 94 -2.091 -20.497 -1.975 732 2HG LYS 94 HG1 LYS 94 -0.534 -21.042 -2.605 733 1HD LYS 94 HD2 LYS 94 -0.274 -22.513 -0.658 734 2HD LYS 94 HD1 LYS 94 -1.841 -21.977 -0.052 735 1HE LYS 94 HE2 LYS 94 -1.374 -23.381 -2.679 736 2HE LYS 94 HE1 LYS 94 -1.959 -24.151 -1.207 737 1HZ LYS 94 HZ1 LYS 94 -3.334 -22.044 -2.791 738 2HZ LYS 94 HZ2 LYS 94 -3.862 -22.584 -1.272 739 3HZ LYS 94 HZ3 LYS 94 -3.816 -23.659 -2.581 740 H ALA 95 HN ALA 95 -1.888 -17.463 -0.115 741 HA ALA 95 HA ALA 95 -4.002 -17.202 -2.017 742 1HB ALA 95 HB1 ALA 95 -5.183 -16.020 -0.251 743 2HB ALA 95 HB2 ALA 95 -3.689 -15.877 0.678 744 3HB ALA 95 HB3 ALA 95 -4.404 -17.465 0.394 745 H LEU 96 HN LEU 96 -1.427 -15.149 -0.892 746 HA LEU 96 HA LEU 96 -2.331 -12.640 -1.644 747 1HB LEU 96 HB2 LEU 96 -0.325 -13.007 -0.319 748 2HB LEU 96 HB1 LEU 96 0.474 -13.755 -1.684 749 HG LEU 96 HG LEU 96 -0.450 -10.951 -2.040 750 1HD1 LEU 96 HD11 LEU 96 1.564 -10.089 -0.943 751 2HD1 LEU 96 HD12 LEU 96 1.952 -11.715 -0.378 752 3HD1 LEU 96 HD13 LEU 96 0.500 -10.900 0.207 753 1HD2 LEU 96 HD21 LEU 96 0.677 -12.185 -3.841 754 2HD2 LEU 96 HD22 LEU 96 2.073 -12.434 -2.791 755 3HD2 LEU 96 HD23 LEU 96 1.633 -10.804 -3.303 756 H GLN 97 HN GLN 97 -1.102 -15.233 -3.625 757 HA GLN 97 HA GLN 97 -0.367 -13.767 -5.908 758 1HB GLN 97 HB2 GLN 97 -1.440 -16.592 -5.790 759 2HB GLN 97 HB1 GLN 97 -0.531 -15.884 -7.118 760 1HG GLN 97 HG2 GLN 97 0.513 -16.311 -4.330 761 2HG GLN 97 HG1 GLN 97 0.827 -17.358 -5.711 762 1HE2 GLN 97 HE21 GLN 97 2.643 -15.823 -4.002 763 2HE2 GLN 97 HE22 GLN 97 3.553 -14.805 -5.069 764 H GLY 98 HN GLY 98 -3.480 -15.077 -4.863 765 1HA GLY 98 HA2 GLY 98 -4.708 -14.213 -7.380 766 2HA GLY 98 HA1 GLY 98 -5.466 -15.204 -6.144 767 H ILE 99 HN ILE 99 -4.062 -12.854 -4.433 768 HA ILE 99 HA ILE 99 -6.554 -11.333 -4.351 769 HB ILE 99 HB ILE 99 -4.365 -11.576 -2.296 770 1HG1 ILE 99 HG12 ILE 99 -7.226 -12.548 -2.227 771 2HG1 ILE 99 HG11 ILE 99 -5.858 -13.560 -2.675 772 1HG2 ILE 99 HG21 ILE 99 -6.990 -10.097 -2.116 773 2HG2 ILE 99 HG22 ILE 99 -5.395 -9.355 -2.217 774 3HG2 ILE 99 HG23 ILE 99 -5.832 -10.314 -0.803 775 1HD1 ILE 99 HD11 ILE 99 -6.497 -13.949 -0.383 776 2HD1 ILE 99 HD12 ILE 99 -6.298 -12.236 -0.011 777 3HD1 ILE 99 HD13 ILE 99 -4.896 -13.213 -0.452 778 H SER 100 HN SER 100 -3.327 -10.342 -3.370 779 HA SER 100 HA SER 100 -3.747 -7.770 -4.583 780 1HB SER 100 HB2 SER 100 -1.238 -8.797 -3.245 781 2HB SER 100 HB1 SER 100 -1.699 -7.114 -3.505 782 HG SER 100 HG SER 100 -3.129 -7.226 -1.897 783 H GLY 101 HN GLY 101 -1.660 -10.549 -5.071 784 1HA GLY 101 HA2 GLY 101 -0.586 -11.297 -6.961 785 2HA GLY 101 HA1 GLY 101 -1.410 -10.051 -7.871 786 H ILE 102 HN ILE 102 -0.470 -7.795 -6.689 787 HA ILE 102 HA ILE 102 1.157 -6.255 -6.965 788 HB ILE 102 HB ILE 102 3.018 -8.539 -6.250 789 1HG1 ILE 102 HG12 ILE 102 3.182 -7.103 -4.099 790 2HG1 ILE 102 HG11 ILE 102 1.701 -6.342 -4.664 791 1HG2 ILE 102 HG21 ILE 102 3.623 -5.588 -6.411 792 2HG2 ILE 102 HG22 ILE 102 4.225 -6.828 -7.511 793 3HG2 ILE 102 HG23 ILE 102 4.719 -6.834 -5.818 794 1HD1 ILE 102 HD11 ILE 102 1.244 -8.087 -3.045 795 2HD1 ILE 102 HD12 ILE 102 2.063 -9.268 -4.068 796 3HD1 ILE 102 HD13 ILE 102 0.575 -8.502 -4.624 797 H ASN 103 HN ASN 103 0.502 -6.138 -9.151 798 HA ASN 103 HA ASN 103 1.951 -7.710 -11.100 799 1HB ASN 103 HB2 ASN 103 0.451 -6.635 -12.755 800 2HB ASN 103 HB1 ASN 103 -0.431 -7.426 -11.455 801 1HD2 ASN 103 HD21 ASN 103 0.329 -4.442 -12.993 802 2HD2 ASN 103 HD22 ASN 103 -0.763 -3.455 -12.087 803 H VAL 104 HN VAL 104 3.247 -5.655 -9.484 804 HA VAL 104 HA VAL 104 4.234 -3.765 -11.464 805 HB VAL 104 HB VAL 104 5.338 -4.331 -8.700 806 1HG1 VAL 104 HG11 VAL 104 6.316 -2.092 -8.896 807 2HG1 VAL 104 HG12 VAL 104 5.667 -1.955 -10.530 808 3HG1 VAL 104 HG13 VAL 104 6.892 -3.170 -10.167 809 1HG2 VAL 104 HG21 VAL 104 3.309 -2.260 -9.536 810 2HG2 VAL 104 HG22 VAL 104 4.065 -2.371 -7.947 811 3HG2 VAL 104 HG23 VAL 104 3.006 -3.664 -8.512 812 H SER 105 HN SER 105 5.170 -6.656 -9.746 813 HA SER 105 HA SER 105 6.703 -7.547 -12.007 814 1HB SER 105 HB2 SER 105 8.404 -6.327 -10.632 815 2HB SER 105 HB1 SER 105 8.022 -7.388 -9.276 816 HG SER 105 HG SER 105 9.801 -8.218 -10.345 817 H ALA 106 HN ALA 106 5.447 -9.305 -12.286 818 HA ALA 106 HA ALA 106 4.033 -10.621 -10.256 819 1HB ALA 106 HB1 ALA 106 3.390 -12.206 -11.888 820 2HB ALA 106 HB2 ALA 106 4.814 -11.876 -12.871 821 3HB ALA 106 HB3 ALA 106 3.541 -10.663 -12.731 822 H GLU 107 HN GLU 107 7.244 -11.095 -11.510 823 HA GLU 107 HA GLU 107 7.621 -13.701 -10.402 824 1HB GLU 107 HB2 GLU 107 8.911 -12.775 -12.327 825 2HB GLU 107 HB1 GLU 107 9.716 -11.682 -11.209 826 1HG GLU 107 HG2 GLU 107 10.612 -13.617 -9.992 827 2HG GLU 107 HG1 GLU 107 9.838 -14.689 -11.159 828 H ASP 108 HN ASP 108 7.967 -10.448 -9.214 829 HA ASP 108 HA ASP 108 9.825 -10.943 -7.144 830 1HB ASP 108 HB2 ASP 108 9.380 -8.683 -7.958 831 2HB ASP 108 HB1 ASP 108 7.716 -8.787 -7.397 832 H ALA 109 HN ALA 109 6.284 -10.752 -7.150 833 HA ALA 109 HA ALA 109 5.941 -11.299 -4.405 834 1HB ALA 109 HB1 ALA 109 4.007 -11.781 -6.668 835 2HB ALA 109 HB2 ALA 109 4.211 -10.262 -5.796 836 3HB ALA 109 HB3 ALA 109 3.607 -11.689 -4.953 837 H LYS 110 HN LYS 110 6.722 -13.329 -7.048 838 HA LYS 110 HA LYS 110 5.924 -15.744 -5.600 839 1HB LYS 110 HB2 LYS 110 7.131 -15.502 -8.363 840 2HB LYS 110 HB1 LYS 110 6.407 -16.940 -7.655 841 1HG LYS 110 HG2 LYS 110 4.233 -15.808 -7.597 842 2HG LYS 110 HG1 LYS 110 4.966 -14.380 -8.334 843 1HD LYS 110 HD2 LYS 110 5.609 -15.805 -10.277 844 2HD LYS 110 HD1 LYS 110 4.687 -17.124 -9.553 845 1HE LYS 110 HE2 LYS 110 3.589 -14.431 -10.362 846 2HE LYS 110 HE1 LYS 110 3.382 -15.937 -11.254 847 1HZ LYS 110 HZ1 LYS 110 2.374 -15.393 -8.509 848 2HZ LYS 110 HZ2 LYS 110 2.181 -16.848 -9.360 849 3HZ LYS 110 HZ3 LYS 110 1.436 -15.432 -9.923 850 H LYS 111 HN LYS 111 8.548 -13.710 -5.936 851 HA LYS 111 HA LYS 111 10.579 -15.788 -5.617 852 1HB LYS 111 HB2 LYS 111 11.054 -14.010 -7.215 853 2HB LYS 111 HB1 LYS 111 10.789 -12.789 -5.982 854 1HG LYS 111 HG2 LYS 111 13.152 -13.088 -6.414 855 2HG LYS 111 HG1 LYS 111 12.756 -13.585 -4.769 856 1HD LYS 111 HD2 LYS 111 12.879 -15.889 -5.351 857 2HD LYS 111 HD1 LYS 111 12.965 -15.513 -7.073 858 1HE LYS 111 HE2 LYS 111 15.151 -16.151 -6.103 859 2HE LYS 111 HE1 LYS 111 15.147 -14.535 -6.805 860 1HZ LYS 111 HZ1 LYS 111 16.290 -14.674 -4.641 861 2HZ LYS 111 HZ2 LYS 111 14.822 -15.096 -3.902 862 3HZ LYS 111 HZ3 LYS 111 15.003 -13.576 -4.634 863 H GLY 112 HN GLY 112 9.609 -12.755 -4.017 864 1HA GLY 112 HA2 GLY 112 9.338 -13.394 -1.458 865 2HA GLY 112 HA1 GLY 112 11.083 -13.551 -1.625 866 H ILE 113 HN ILE 113 8.521 -11.452 -1.052 867 HA ILE 113 HA ILE 113 9.524 -9.042 -2.116 868 HB ILE 113 HB ILE 113 7.680 -9.339 0.257 869 1HG1 ILE 113 HG12 ILE 113 6.831 -10.615 -1.671 870 2HG1 ILE 113 HG11 ILE 113 5.828 -9.207 -1.344 871 1HG2 ILE 113 HG21 ILE 113 8.573 -7.100 -0.017 872 2HG2 ILE 113 HG22 ILE 113 6.859 -7.131 -0.433 873 3HG2 ILE 113 HG23 ILE 113 8.075 -7.087 -1.709 874 1HD1 ILE 113 HD11 ILE 113 6.153 -9.515 -3.723 875 2HD1 ILE 113 HD12 ILE 113 7.902 -9.441 -3.513 876 3HD1 ILE 113 HD13 ILE 113 6.913 -8.018 -3.184 877 H THR 114 HN THR 114 11.507 -8.392 -1.576 878 HA THR 114 HA THR 114 12.130 -8.094 1.290 879 HB THR 114 HB THR 114 14.545 -8.149 0.588 880 HG1 THR 114 HG1 THR 114 14.208 -9.539 -1.679 881 1HG2 THR 114 HG21 THR 114 13.468 -10.120 1.569 882 2HG2 THR 114 HG22 THR 114 14.648 -10.588 0.345 883 3HG2 THR 114 HG23 THR 114 12.926 -10.626 -0.031 884 H MET 115 HN MET 115 13.915 -6.276 1.540 885 HA MET 115 HA MET 115 12.648 -3.902 0.614 886 1HB MET 115 HB2 MET 115 13.803 -4.031 2.800 887 2HB MET 115 HB1 MET 115 15.344 -4.164 1.957 888 1HG MET 115 HG2 MET 115 14.861 -1.882 2.767 889 2HG MET 115 HG1 MET 115 15.086 -1.971 1.019 890 1HE MET 115 HE1 MET 115 13.835 0.598 2.156 891 2HE MET 115 HE2 MET 115 12.402 0.816 1.153 892 3HE MET 115 HE3 MET 115 13.915 0.281 0.422 893 H ALA 116 HN ALA 116 15.551 -5.654 -0.343 894 HA ALA 116 HA ALA 116 16.655 -3.723 -2.055 895 1HB ALA 116 HB1 ALA 116 16.772 -6.728 -2.339 896 2HB ALA 116 HB2 ALA 116 17.847 -5.752 -1.339 897 3HB ALA 116 HB3 ALA 116 17.862 -5.567 -3.093 898 H GLN 117 HN GLN 117 14.228 -6.232 -2.640 899 HA GLN 117 HA GLN 117 13.831 -5.628 -5.390 900 1HB GLN 117 HB2 GLN 117 12.602 -7.345 -3.388 901 2HB GLN 117 HB1 GLN 117 11.403 -6.598 -4.437 902 1HG GLN 117 HG2 GLN 117 12.052 -8.724 -5.347 903 2HG GLN 117 HG1 GLN 117 12.622 -7.434 -6.401 904 1HE2 GLN 117 HE21 GLN 117 14.123 -8.408 -3.377 905 2HE2 GLN 117 HE22 GLN 117 15.576 -9.020 -4.086 906 H MET 118 HN MET 118 11.724 -4.815 -2.609 907 HA MET 118 HA MET 118 10.048 -3.052 -3.829 908 1HB MET 118 HB2 MET 118 11.183 -3.114 -1.062 909 2HB MET 118 HB1 MET 118 10.120 -1.796 -1.544 910 1HG MET 118 HG2 MET 118 9.397 -4.702 -1.792 911 2HG MET 118 HG1 MET 118 8.987 -3.696 -0.401 912 1HE MET 118 HE1 MET 118 6.502 -4.766 -1.143 913 2HE MET 118 HE2 MET 118 7.122 -5.375 -2.679 914 3HE MET 118 HE3 MET 118 5.704 -4.323 -2.653 915 H GLU 119 HN GLU 119 13.317 -2.319 -2.704 916 HA GLU 119 HA GLU 119 13.213 0.467 -3.104 917 1HB GLU 119 HB2 GLU 119 14.915 -0.735 -1.754 918 2HB GLU 119 HB1 GLU 119 15.613 -1.366 -3.237 919 1HG GLU 119 HG2 GLU 119 16.893 0.503 -2.391 920 2HG GLU 119 HG1 GLU 119 16.165 0.887 -3.948 921 H LEU 120 HN LEU 120 14.759 -2.018 -5.149 922 HA LEU 120 HA LEU 120 15.343 -0.202 -7.265 923 1HB LEU 120 HB2 LEU 120 15.309 -3.215 -7.144 924 2HB LEU 120 HB1 LEU 120 15.900 -2.306 -8.516 925 HG LEU 120 HG LEU 120 17.063 -2.232 -5.730 926 1HD1 LEU 120 HD11 LEU 120 18.953 -3.408 -6.718 927 2HD1 LEU 120 HD12 LEU 120 18.112 -3.474 -8.267 928 3HD1 LEU 120 HD13 LEU 120 17.468 -4.348 -6.877 929 1HD2 LEU 120 HD21 LEU 120 17.323 -0.099 -6.887 930 2HD2 LEU 120 HD22 LEU 120 18.007 -0.932 -8.283 931 3HD2 LEU 120 HD23 LEU 120 18.870 -0.935 -6.745 932 H VAL 121 HN VAL 121 12.721 -2.308 -6.549 933 HA VAL 121 HA VAL 121 11.604 -2.509 -9.153 934 HB VAL 121 HB VAL 121 10.757 -3.268 -6.384 935 1HG1 VAL 121 HG11 VAL 121 8.676 -4.178 -7.188 936 2HG1 VAL 121 HG12 VAL 121 8.959 -3.465 -8.779 937 3HG1 VAL 121 HG13 VAL 121 8.713 -2.425 -7.374 938 1HG2 VAL 121 HG21 VAL 121 10.638 -5.505 -7.377 939 2HG2 VAL 121 HG22 VAL 121 12.230 -4.765 -7.582 940 3HG2 VAL 121 HG23 VAL 121 11.102 -4.824 -8.938 941 H MET 122 HN MET 122 10.789 -0.580 -6.263 942 HA MET 122 HA MET 122 8.616 0.766 -7.481 943 1HB MET 122 HB2 MET 122 10.178 1.061 -4.988 944 2HB MET 122 HB1 MET 122 9.367 2.512 -5.562 945 1HG MET 122 HG2 MET 122 8.051 1.151 -3.946 946 2HG MET 122 HG1 MET 122 7.241 1.459 -5.482 947 1HE MET 122 HE1 MET 122 5.818 -2.055 -4.846 948 2HE MET 122 HE2 MET 122 5.490 -0.432 -5.453 949 3HE MET 122 HE3 MET 122 5.957 -0.666 -3.768 950 H LYS 123 HN LYS 123 12.056 1.469 -7.249 951 HA LYS 123 HA LYS 123 11.914 4.021 -8.476 952 1HB LYS 123 HB2 LYS 123 14.121 2.031 -8.061 953 2HB LYS 123 HB1 LYS 123 14.385 3.460 -9.051 954 1HG LYS 123 HG2 LYS 123 13.873 4.903 -7.195 955 2HG LYS 123 HG1 LYS 123 13.441 3.516 -6.193 956 1HD LYS 123 HD2 LYS 123 15.672 2.761 -6.098 957 2HD LYS 123 HD1 LYS 123 16.169 3.820 -7.418 958 1HE LYS 123 HE2 LYS 123 16.923 4.613 -5.204 959 2HE LYS 123 HE1 LYS 123 15.881 5.766 -6.034 960 1HZ LYS 123 HZ1 LYS 123 14.043 5.068 -4.654 961 2HZ LYS 123 HZ2 LYS 123 15.336 5.547 -3.679 962 3HZ LYS 123 HZ3 LYS 123 14.998 3.895 -3.892 963 H ALA 124 HN ALA 124 12.029 0.757 -9.717 964 HA ALA 124 HA ALA 124 12.557 1.486 -12.430 965 1HB ALA 124 HB1 ALA 124 11.244 -1.047 -11.464 966 2HB ALA 124 HB2 ALA 124 12.985 -0.776 -11.424 967 3HB ALA 124 HB3 ALA 124 12.130 -0.795 -12.969 968 H ALA 125 HN ALA 125 9.697 1.106 -10.468 969 HA ALA 125 HA ALA 125 7.858 1.157 -12.678 970 1HB ALA 125 HB1 ALA 125 7.309 1.563 -9.741 971 2HB ALA 125 HB2 ALA 125 7.344 0.000 -10.558 972 3HB ALA 125 HB3 ALA 125 6.123 1.196 -10.994 973 H GLY 126 HN GLY 126 9.641 3.497 -11.031 974 1HA GLY 126 HA2 GLY 126 9.712 5.779 -11.483 975 2HA GLY 126 HA1 GLY 126 8.211 5.622 -12.386 976 H PHE 127 HN PHE 127 8.525 4.378 -9.148 977 HA PHE 127 HA PHE 127 6.404 6.145 -8.279 978 1HB PHE 127 HB2 PHE 127 7.857 3.888 -6.889 979 2HB PHE 127 HB1 PHE 127 6.587 4.842 -6.131 980 HD1 PHE 127 HD1 PHE 127 6.840 1.772 -6.903 981 HD2 PHE 127 HD2 PHE 127 4.785 5.120 -8.534 982 HE1 PHE 127 HE1 PHE 127 5.137 0.265 -7.841 983 HE2 PHE 127 HE2 PHE 127 3.080 3.620 -9.476 984 HZ PHE 127 HZ PHE 127 3.252 1.188 -9.129 985 H LYS 128 HN LYS 128 6.552 7.663 -6.643 986 HA LYS 128 HA LYS 128 9.289 8.587 -6.128 987 1HB LYS 128 HB2 LYS 128 8.194 10.826 -5.742 988 2HB LYS 128 HB1 LYS 128 8.124 10.222 -7.391 989 1HG LYS 128 HG2 LYS 128 5.805 9.330 -6.747 990 2HG LYS 128 HG1 LYS 128 5.932 10.420 -5.367 991 1HD LYS 128 HD2 LYS 128 4.791 11.651 -7.009 992 2HD LYS 128 HD1 LYS 128 6.449 12.250 -7.062 993 1HE LYS 128 HE2 LYS 128 5.441 10.088 -8.899 994 2HE LYS 128 HE1 LYS 128 5.317 11.801 -9.295 995 1HZ LYS 128 HZ1 LYS 128 7.872 10.398 -8.703 996 2HZ LYS 128 HZ2 LYS 128 7.692 11.997 -9.233 997 3HZ LYS 128 HZ3 LYS 128 7.285 10.711 -10.260 998 H GLU 129 HN GLU 129 10.022 8.729 -4.146 999 HA GLU 129 HA GLU 129 8.341 7.705 -2.012 1000 1HB GLU 129 HB2 GLU 129 10.649 7.720 -0.806 1001 2HB GLU 129 HB1 GLU 129 10.337 6.528 -2.061 1002 1HG GLU 129 HG2 GLU 129 11.505 7.991 -3.680 1003 2HG GLU 129 HG1 GLU 129 11.894 9.086 -2.357 1004 H VAL 130 HN VAL 130 7.537 8.887 -0.440 1005 HA VAL 130 HA VAL 130 8.082 11.731 -0.319 1006 HB VAL 130 HB VAL 130 6.196 10.037 1.342 1007 1HG1 VAL 130 HG11 VAL 130 6.311 13.031 0.998 1008 2HG1 VAL 130 HG12 VAL 130 6.796 12.140 2.441 1009 3HG1 VAL 130 HG13 VAL 130 5.108 12.136 1.928 1010 1HG2 VAL 130 HG21 VAL 130 4.435 10.931 -0.114 1011 2HG2 VAL 130 HG22 VAL 130 5.602 9.953 -1.003 1012 3HG2 VAL 130 HG23 VAL 130 5.667 11.713 -1.105 1013 H LYS 131 HN LYS 131 8.595 8.839 1.574 1014 HA LYS 131 HA LYS 131 10.249 8.274 3.003 1015 1HB LYS 131 HB2 LYS 131 11.600 9.834 1.508 1016 2HB LYS 131 HB1 LYS 131 11.396 11.047 2.763 1017 1HG LYS 131 HG2 LYS 131 12.681 9.844 4.300 1018 2HG LYS 131 HG1 LYS 131 12.550 8.347 3.373 1019 1HD LYS 131 HD2 LYS 131 14.061 10.825 2.544 1020 2HD LYS 131 HD1 LYS 131 14.774 9.325 3.143 1021 1HE LYS 131 HE2 LYS 131 13.781 8.127 1.226 1022 2HE LYS 131 HE1 LYS 131 13.161 9.659 0.616 1023 1HZ LYS 131 HZ1 LYS 131 15.990 8.820 0.874 1024 2HZ LYS 131 HZ2 LYS 131 15.535 10.430 0.594 1025 3HZ LYS 131 HZ3 LYS 131 15.144 9.230 -0.537 1026 H LEU 132 HN LEU 132 7.873 10.362 3.688 1027 HA LEU 132 HA LEU 132 6.753 10.690 5.650 1028 1HB LEU 132 HB2 LEU 132 8.847 8.733 6.524 1029 2HB LEU 132 HB1 LEU 132 7.740 9.432 7.688 1030 HG LEU 132 HG LEU 132 6.611 8.112 5.258 1031 1HD1 LEU 132 HD11 LEU 132 7.600 6.668 7.713 1032 2HD1 LEU 132 HD12 LEU 132 8.280 6.533 6.092 1033 3HD1 LEU 132 HD13 LEU 132 6.642 5.963 6.411 1034 1HD2 LEU 132 HD21 LEU 132 4.827 7.569 6.834 1035 2HD2 LEU 132 HD22 LEU 132 5.150 9.303 6.820 1036 3HD2 LEU 132 HD23 LEU 132 5.752 8.303 8.144 1037 H GLU 133 HN GLU 133 8.836 12.645 4.934 1038 HA GLU 133 HA GLU 133 10.211 13.298 7.342 1039 1HB GLU 133 HB2 GLU 133 10.834 15.397 6.280 1040 2HB GLU 133 HB1 GLU 133 11.087 14.049 5.185 1041 1HG GLU 133 HG2 GLU 133 9.269 14.655 3.841 1042 2HG GLU 133 HG1 GLU 133 8.612 15.736 5.071 1043 H HIS 134 HN HIS 134 9.167 13.796 9.125 1044 HA HIS 134 HA HIS 134 6.690 15.300 9.078 1045 1HB HIS 134 HB2 HIS 134 8.417 14.403 11.405 1046 2HB HIS 134 HB1 HIS 134 6.848 15.182 11.561 1047 HD1 HIS 134 HD1 HIS 134 4.777 13.732 11.274 1048 HD2 HIS 134 HD2 HIS 134 8.330 11.728 10.460 1049 HE1 HIS 134 HE1 HIS 134 4.161 11.300 11.085 1050 HE2 HIS 134 HE2 HIS 134 6.364 10.093 10.835 1051 H HIS 135 HN HIS 135 6.957 17.356 8.443 1052 HA HIS 135 HA HIS 135 9.363 18.771 9.355 1053 1HB HIS 135 HB2 HIS 135 8.544 18.393 6.825 1054 2HB HIS 135 HB1 HIS 135 7.681 19.885 7.178 1055 HD1 HIS 135 HD1 HIS 135 10.698 18.790 5.747 1056 HD2 HIS 135 HD2 HIS 135 9.704 21.863 8.380 1057 HE1 HIS 135 HE1 HIS 135 12.588 20.448 5.614 1058 HE2 HIS 135 HE2 HIS 135 11.901 22.359 7.100 1059 H HIS 136 HN HIS 136 9.015 20.026 11.042 1060 HA HIS 136 HA HIS 136 6.438 21.406 11.311 1061 1HB HIS 136 HB2 HIS 136 7.175 20.201 13.297 1062 2HB HIS 136 HB1 HIS 136 8.719 21.041 13.273 1063 HD1 HIS 136 HD1 HIS 136 5.034 21.715 13.892 1064 HD2 HIS 136 HD2 HIS 136 8.763 23.420 14.624 1065 HE1 HIS 136 HE1 HIS 136 4.607 23.660 15.434 1066 HE2 HIS 136 HE2 HIS 136 6.896 24.552 16.011 1067 H HIS 137 HN HIS 137 6.355 23.303 10.325 1068 HA HIS 137 HA HIS 137 8.776 24.721 9.659 1069 1HB HIS 137 HB2 HIS 137 5.866 25.205 9.079 1070 2HB HIS 137 HB1 HIS 137 7.085 26.416 8.705 1071 HD1 HIS 137 HD1 HIS 137 8.309 26.155 6.545 1072 HD2 HIS 137 HD2 HIS 137 6.244 22.713 7.629 1073 HE1 HIS 137 HE1 HIS 137 8.487 24.610 4.568 1074 HE2 HIS 137 HE2 HIS 137 7.361 22.474 5.304 1075 H HIS 138 HN HIS 138 9.763 25.830 11.196 1076 HA HIS 138 HA HIS 138 8.307 27.394 13.145 1077 1HB HIS 138 HB2 HIS 138 10.578 26.341 13.564 1078 2HB HIS 138 HB1 HIS 138 11.257 27.527 12.458 1079 HD1 HIS 138 HD1 HIS 138 10.682 26.974 15.938 1080 HD2 HIS 138 HD2 HIS 138 10.655 30.311 13.449 1081 HE1 HIS 138 HE1 HIS 138 10.932 28.965 17.461 1082 HE2 HIS 138 HE2 HIS 138 10.956 30.971 15.930 1083 H HIS 139 HN HIS 139 9.793 27.739 10.057 1084 HA HIS 139 HA HIS 139 8.745 30.465 9.823 1085 1HB HIS 139 HB2 HIS 139 11.136 30.703 10.197 1086 2HB HIS 139 HB1 HIS 139 11.485 29.498 8.968 1087 HD1 HIS 139 HD1 HIS 139 9.922 32.973 9.190 1088 HD2 HIS 139 HD2 HIS 139 12.027 30.549 6.545 1089 HE1 HIS 139 HE1 HIS 139 10.444 34.422 7.209 1090 HE2 HIS 139 HE2 HIS 139 11.971 33.018 5.785 Start of MODEL 12 1 1H MET 1 HT1 MET 1 12.306 0.481 23.337 2 2H MET 1 HT2 MET 1 11.084 -0.152 22.344 3 3H MET 1 HT3 MET 1 10.688 0.919 23.600 4 HA MET 1 HA MET 1 10.640 1.936 21.376 5 1HB MET 1 HB2 MET 1 11.929 3.940 22.007 6 2HB MET 1 HB1 MET 1 10.962 3.336 23.344 7 1HG MET 1 HG2 MET 1 12.945 2.295 24.312 8 2HG MET 1 HG1 MET 1 13.915 2.894 22.969 9 1HE MET 1 HE1 MET 1 14.622 3.396 26.046 10 2HE MET 1 HE2 MET 1 15.111 5.089 25.994 11 3HE MET 1 HE3 MET 1 15.607 3.989 24.709 12 H GLY 2 HN GLY 2 11.716 2.517 19.497 13 1HA GLY 2 HA2 GLY 2 14.443 2.434 19.021 14 2HA GLY 2 HA1 GLY 2 13.857 0.803 18.726 15 H ASP 3 HN ASP 3 14.756 3.393 17.143 16 HA ASP 3 HA ASP 3 12.566 3.520 15.221 17 1HB ASP 3 HB2 ASP 3 15.191 5.024 15.369 18 2HB ASP 3 HB1 ASP 3 13.979 5.264 14.115 19 H LYS 4 HN LYS 4 14.355 1.153 15.665 20 HA LYS 4 HA LYS 4 16.062 0.904 13.405 21 1HB LYS 4 HB2 LYS 4 16.323 -0.391 15.517 22 2HB LYS 4 HB1 LYS 4 14.869 -1.289 15.110 23 1HG LYS 4 HG2 LYS 4 15.918 -2.257 13.195 24 2HG LYS 4 HG1 LYS 4 17.332 -1.216 13.383 25 1HD LYS 4 HD2 LYS 4 16.423 -3.308 15.360 26 2HD LYS 4 HD1 LYS 4 17.738 -3.503 14.199 27 1HE LYS 4 HE2 LYS 4 18.918 -1.615 15.247 28 2HE LYS 4 HE1 LYS 4 17.617 -1.474 16.429 29 1HZ LYS 4 HZ1 LYS 4 19.367 -3.845 16.057 30 2HZ LYS 4 HZ2 LYS 4 18.126 -3.703 17.202 31 3HZ LYS 4 HZ3 LYS 4 19.497 -2.714 17.313 32 H GLU 5 HN GLU 5 12.699 0.289 14.005 33 HA GLU 5 HA GLU 5 12.256 -0.998 11.453 34 1HB GLU 5 HB2 GLU 5 10.241 0.283 13.316 35 2HB GLU 5 HB1 GLU 5 9.891 -0.825 11.996 36 1HG GLU 5 HG2 GLU 5 11.030 -2.616 13.180 37 2HG GLU 5 HG1 GLU 5 11.426 -1.506 14.494 38 H GLU 6 HN GLU 6 12.458 0.207 9.630 39 HA GLU 6 HA GLU 6 12.102 3.093 9.925 40 1HB GLU 6 HB2 GLU 6 14.275 2.301 9.007 41 2HB GLU 6 HB1 GLU 6 13.410 1.619 7.633 42 1HG GLU 6 HG2 GLU 6 12.706 3.773 6.906 43 2HG GLU 6 HG1 GLU 6 13.297 4.529 8.384 44 H SER 7 HN SER 7 10.715 4.240 8.743 45 HA SER 7 HA SER 7 8.664 2.691 7.349 46 1HB SER 7 HB2 SER 7 8.499 5.548 8.341 47 2HB SER 7 HB1 SER 7 7.164 4.513 7.828 48 HG SER 7 HG SER 7 8.522 3.258 9.745 49 H LYS 8 HN LYS 8 8.899 2.645 5.234 50 HA LYS 8 HA LYS 8 9.909 5.045 3.857 51 1HB LYS 8 HB2 LYS 8 10.038 2.112 3.161 52 2HB LYS 8 HB1 LYS 8 10.289 3.357 1.953 53 1HG LYS 8 HG2 LYS 8 11.906 3.489 4.439 54 2HG LYS 8 HG1 LYS 8 12.303 2.255 3.239 55 1HD LYS 8 HD2 LYS 8 12.431 4.038 1.521 56 2HD LYS 8 HD1 LYS 8 12.153 5.236 2.785 57 1HE LYS 8 HE2 LYS 8 14.537 4.996 2.219 58 2HE LYS 8 HE1 LYS 8 14.194 4.594 3.901 59 1HZ LYS 8 HZ1 LYS 8 15.717 3.016 2.883 60 2HZ LYS 8 HZ2 LYS 8 14.565 2.622 1.699 61 3HZ LYS 8 HZ3 LYS 8 14.276 2.258 3.333 62 H LYS 9 HN LYS 9 7.968 6.097 3.623 63 HA LYS 9 HA LYS 9 5.760 4.723 2.332 64 1HB LYS 9 HB2 LYS 9 5.390 6.402 4.169 65 2HB LYS 9 HB1 LYS 9 6.012 7.640 3.089 66 1HG LYS 9 HG2 LYS 9 4.165 7.043 1.498 67 2HG LYS 9 HG1 LYS 9 3.497 6.023 2.774 68 1HD LYS 9 HD2 LYS 9 4.023 8.988 3.007 69 2HD LYS 9 HD1 LYS 9 2.450 8.258 2.691 70 1HE LYS 9 HE2 LYS 9 4.103 7.663 5.139 71 2HE LYS 9 HE1 LYS 9 2.874 8.925 5.078 72 1HZ LYS 9 HZ1 LYS 9 1.987 6.895 6.017 73 2HZ LYS 9 HZ2 LYS 9 2.410 6.021 4.633 74 3HZ LYS 9 HZ3 LYS 9 1.222 7.229 4.543 75 H PHE 10 HN PHE 10 5.182 5.037 0.205 76 HA PHE 10 HA PHE 10 6.542 7.210 -1.208 77 1HB PHE 10 HB2 PHE 10 6.998 5.941 -3.121 78 2HB PHE 10 HB1 PHE 10 7.403 4.831 -1.822 79 HD1 PHE 10 HD1 PHE 10 5.004 5.610 -4.477 80 HD2 PHE 10 HD2 PHE 10 6.130 2.834 -1.459 81 HE1 PHE 10 HE1 PHE 10 3.499 3.936 -5.464 82 HE2 PHE 10 HE2 PHE 10 4.626 1.157 -2.440 83 HZ PHE 10 HZ PHE 10 3.308 1.705 -4.444 84 H SER 11 HN SER 11 5.219 8.292 -2.687 85 HA SER 11 HA SER 11 2.379 7.588 -2.384 86 1HB SER 11 HB2 SER 11 1.856 9.930 -2.151 87 2HB SER 11 HB1 SER 11 3.132 9.553 -1.013 88 HG SER 11 HG SER 11 3.892 10.438 -3.544 89 H ALA 12 HN ALA 12 1.788 6.797 -4.299 90 HA ALA 12 HA ALA 12 2.777 8.146 -6.720 91 1HB ALA 12 HB1 ALA 12 3.291 5.714 -6.438 92 2HB ALA 12 HB2 ALA 12 2.419 6.118 -7.916 93 3HB ALA 12 HB3 ALA 12 1.559 5.397 -6.557 94 H ASN 13 HN ASN 13 1.392 9.566 -7.492 95 HA ASN 13 HA ASN 13 -1.471 9.205 -7.037 96 1HB ASN 13 HB2 ASN 13 -0.045 11.574 -8.270 97 2HB ASN 13 HB1 ASN 13 -1.713 11.519 -7.713 98 1HD2 ASN 13 HD21 ASN 13 -2.146 11.649 -5.518 99 2HD2 ASN 13 HD22 ASN 13 -0.948 12.116 -4.362 100 H LEU 14 HN LEU 14 -1.945 7.583 -8.516 101 HA LEU 14 HA LEU 14 -1.439 8.269 -11.326 102 1HB LEU 14 HB2 LEU 14 -1.939 5.711 -11.612 103 2HB LEU 14 HB1 LEU 14 -0.353 6.282 -11.146 104 HG LEU 14 HG LEU 14 -1.361 5.881 -8.701 105 1HD1 LEU 14 HD11 LEU 14 -2.778 3.852 -10.422 106 2HD1 LEU 14 HD12 LEU 14 -3.541 5.142 -9.494 107 3HD1 LEU 14 HD13 LEU 14 -2.695 3.839 -8.660 108 1HD2 LEU 14 HD21 LEU 14 -0.207 3.736 -10.484 109 2HD2 LEU 14 HD22 LEU 14 -0.232 3.707 -8.721 110 3HD2 LEU 14 HD23 LEU 14 0.708 4.934 -9.570 111 H ASN 15 HN ASN 15 -3.110 9.278 -12.085 112 HA ASN 15 HA ASN 15 -5.204 9.793 -12.763 113 1HB ASN 15 HB2 ASN 15 -4.849 7.573 -13.893 114 2HB ASN 15 HB1 ASN 15 -5.737 6.824 -12.570 115 1HD2 ASN 15 HD21 ASN 15 -7.311 6.085 -14.020 116 2HD2 ASN 15 HD22 ASN 15 -8.500 7.150 -14.687 117 H GLY 16 HN GLY 16 -5.052 10.497 -10.284 118 1HA GLY 16 HA2 GLY 16 -6.547 11.210 -8.661 119 2HA GLY 16 HA1 GLY 16 -7.758 10.134 -9.339 120 H THR 17 HN THR 17 -5.489 7.998 -9.061 121 HA THR 17 HA THR 17 -6.341 7.214 -6.385 122 HB THR 17 HB THR 17 -4.754 5.595 -8.386 123 HG1 THR 17 HG1 THR 17 -7.173 6.444 -8.706 124 1HG2 THR 17 HG21 THR 17 -6.417 4.789 -5.996 125 2HG2 THR 17 HG22 THR 17 -4.656 4.773 -6.080 126 3HG2 THR 17 HG23 THR 17 -5.595 3.686 -7.101 127 H GLU 18 HN GLU 18 -5.110 8.085 -4.835 128 HA GLU 18 HA GLU 18 -2.239 8.397 -5.236 129 1HB GLU 18 HB2 GLU 18 -3.584 8.988 -2.632 130 2HB GLU 18 HB1 GLU 18 -2.230 9.804 -3.396 131 1HG GLU 18 HG2 GLU 18 -3.830 10.714 -5.081 132 2HG GLU 18 HG1 GLU 18 -5.138 10.024 -4.112 133 H ILE 19 HN ILE 19 -1.368 6.356 -5.163 134 HA ILE 19 HA ILE 19 -2.095 4.630 -2.929 135 HB ILE 19 HB ILE 19 -0.213 4.092 -5.235 136 1HG1 ILE 19 HG12 ILE 19 -3.072 3.254 -4.710 137 2HG1 ILE 19 HG11 ILE 19 -2.506 4.310 -5.996 138 1HG2 ILE 19 HG21 ILE 19 0.369 2.796 -3.250 139 2HG2 ILE 19 HG22 ILE 19 -0.311 1.754 -4.500 140 3HG2 ILE 19 HG23 ILE 19 -1.297 2.232 -3.117 141 1HD1 ILE 19 HD11 ILE 19 -1.893 1.380 -5.708 142 2HD1 ILE 19 HD12 ILE 19 -1.299 2.432 -6.993 143 3HD1 ILE 19 HD13 ILE 19 -3.027 2.107 -6.844 144 H ALA 20 HN ALA 20 -1.193 5.248 -1.107 145 HA ALA 20 HA ALA 20 1.675 5.901 -1.105 146 1HB ALA 20 HB1 ALA 20 1.178 6.903 1.151 147 2HB ALA 20 HB2 ALA 20 -0.533 6.667 0.794 148 3HB ALA 20 HB3 ALA 20 0.441 7.728 -0.222 149 H ILE 21 HN ILE 21 2.659 3.972 -0.859 150 HA ILE 21 HA ILE 21 1.651 2.161 1.205 151 HB ILE 21 HB ILE 21 3.742 1.666 -0.919 152 1HG1 ILE 21 HG12 ILE 21 0.891 0.676 -0.676 153 2HG1 ILE 21 HG11 ILE 21 1.454 1.892 -1.813 154 1HG2 ILE 21 HG21 ILE 21 2.507 -0.220 1.082 155 2HG2 ILE 21 HG22 ILE 21 4.174 0.355 1.081 156 3HG2 ILE 21 HG23 ILE 21 3.597 -0.682 -0.225 157 1HD1 ILE 21 HD11 ILE 21 2.310 -0.992 -1.746 158 2HD1 ILE 21 HD12 ILE 21 2.871 0.228 -2.892 159 3HD1 ILE 21 HD13 ILE 21 1.177 -0.266 -2.886 160 H THR 22 HN THR 22 2.503 2.195 3.111 161 HA THR 22 HA THR 22 5.121 3.425 3.553 162 HB THR 22 HB THR 22 3.131 2.572 5.663 163 HG1 THR 22 HG1 THR 22 1.899 4.087 4.790 164 1HG2 THR 22 HG21 THR 22 4.263 4.296 6.999 165 2HG2 THR 22 HG22 THR 22 5.337 4.641 5.643 166 3HG2 THR 22 HG23 THR 22 5.402 3.069 6.441 167 H TYR 23 HN TYR 23 6.666 1.915 3.248 168 HA TYR 23 HA TYR 23 6.337 -0.810 4.144 169 1HB TYR 23 HB2 TYR 23 8.810 0.574 3.083 170 2HB TYR 23 HB1 TYR 23 8.593 -1.160 3.280 171 HD1 TYR 23 HD1 TYR 23 6.627 -2.216 1.932 172 HD2 TYR 23 HD2 TYR 23 8.380 1.551 1.045 173 HE1 TYR 23 HE1 TYR 23 5.787 -2.374 -0.369 174 HE2 TYR 23 HE2 TYR 23 7.543 1.412 -1.253 175 HH TYR 23 HH TYR 23 6.812 -0.254 -2.849 176 H VAL 24 HN VAL 24 6.365 -1.059 6.318 177 HA VAL 24 HA VAL 24 8.595 0.132 7.792 178 HB VAL 24 HB VAL 24 6.143 -1.358 8.744 179 1HG1 VAL 24 HG11 VAL 24 7.002 -1.121 11.028 180 2HG1 VAL 24 HG12 VAL 24 8.515 -0.470 10.398 181 3HG1 VAL 24 HG13 VAL 24 8.065 -2.141 10.059 182 1HG2 VAL 24 HG21 VAL 24 7.236 1.399 9.295 183 2HG2 VAL 24 HG22 VAL 24 5.752 0.724 9.975 184 3HG2 VAL 24 HG23 VAL 24 5.874 1.014 8.239 185 H TYR 25 HN TYR 25 10.385 -0.921 7.375 186 HA TYR 25 HA TYR 25 10.266 -3.856 7.352 187 1HB TYR 25 HB2 TYR 25 12.150 -3.858 5.817 188 2HB TYR 25 HB1 TYR 25 10.829 -2.905 5.157 189 HD1 TYR 25 HD1 TYR 25 10.996 -0.364 5.281 190 HD2 TYR 25 HD2 TYR 25 14.282 -2.946 6.104 191 HE1 TYR 25 HE1 TYR 25 12.550 1.500 4.908 192 HE2 TYR 25 HE2 TYR 25 15.843 -1.086 5.730 193 HH TYR 25 HH TYR 25 15.946 1.020 4.604 194 H LYS 26 HN LYS 26 12.084 -4.984 8.142 195 HA LYS 26 HA LYS 26 13.785 -3.484 10.003 196 1HB LYS 26 HB2 LYS 26 11.847 -4.504 11.218 197 2HB LYS 26 HB1 LYS 26 12.384 -6.083 10.665 198 1HG LYS 26 HG2 LYS 26 14.479 -5.802 11.884 199 2HG LYS 26 HG1 LYS 26 13.941 -4.217 12.442 200 1HD LYS 26 HD2 LYS 26 12.630 -6.868 13.044 201 2HD LYS 26 HD1 LYS 26 13.574 -5.889 14.168 202 1HE LYS 26 HE2 LYS 26 11.911 -4.072 13.913 203 2HE LYS 26 HE1 LYS 26 10.952 -5.134 12.883 204 1HZ LYS 26 HZ1 LYS 26 10.765 -6.681 14.752 205 2HZ LYS 26 HZ2 LYS 26 10.113 -5.162 15.128 206 3HZ LYS 26 HZ3 LYS 26 11.632 -5.601 15.737 207 H GLY 27 HN GLY 27 15.769 -3.805 9.244 208 1HA GLY 27 HA2 GLY 27 17.647 -4.985 8.540 209 2HA GLY 27 HA1 GLY 27 16.692 -6.464 8.554 210 H ASP 28 HN ASP 28 16.343 -7.319 6.599 211 HA ASP 28 HA ASP 28 16.350 -5.467 4.306 212 1HB ASP 28 HB2 ASP 28 17.694 -8.024 4.735 213 2HB ASP 28 HB1 ASP 28 16.806 -7.954 3.215 214 H LYS 29 HN LYS 29 14.368 -7.493 6.103 215 HA LYS 29 HA LYS 29 12.609 -7.969 3.805 216 1HB LYS 29 HB2 LYS 29 13.130 -9.718 5.733 217 2HB LYS 29 HB1 LYS 29 11.863 -8.832 6.564 218 1HG LYS 29 HG2 LYS 29 10.508 -9.172 4.393 219 2HG LYS 29 HG1 LYS 29 11.684 -10.440 4.052 220 1HD LYS 29 HD2 LYS 29 9.966 -10.260 6.524 221 2HD LYS 29 HD1 LYS 29 9.655 -11.304 5.139 222 1HE LYS 29 HE2 LYS 29 11.820 -12.426 5.550 223 2HE LYS 29 HE1 LYS 29 12.035 -11.423 6.987 224 1HZ LYS 29 HZ1 LYS 29 10.007 -12.376 7.912 225 2HZ LYS 29 HZ2 LYS 29 11.132 -13.593 7.553 226 3HZ LYS 29 HZ3 LYS 29 9.804 -13.335 6.528 227 H VAL 30 HN VAL 30 10.824 -6.789 3.463 228 HA VAL 30 HA VAL 30 10.081 -4.704 5.313 229 HB VAL 30 HB VAL 30 8.522 -5.642 2.897 230 1HG1 VAL 30 HG11 VAL 30 7.246 -4.266 4.415 231 2HG1 VAL 30 HG12 VAL 30 7.623 -3.347 2.958 232 3HG1 VAL 30 HG13 VAL 30 8.526 -3.055 4.442 233 1HG2 VAL 30 HG21 VAL 30 9.631 -3.854 1.645 234 2HG2 VAL 30 HG22 VAL 30 10.788 -5.060 2.211 235 3HG2 VAL 30 HG23 VAL 30 10.652 -3.509 3.042 236 H LEU 31 HN LEU 31 9.206 -5.416 7.167 237 HA LEU 31 HA LEU 31 7.795 -7.922 7.227 238 1HB LEU 31 HB2 LEU 31 8.417 -5.958 9.430 239 2HB LEU 31 HB1 LEU 31 7.740 -7.561 9.664 240 HG LEU 31 HG LEU 31 10.466 -6.945 8.514 241 1HD1 LEU 31 HD11 LEU 31 9.666 -8.171 11.144 242 2HD1 LEU 31 HD12 LEU 31 10.353 -6.562 10.910 243 3HD1 LEU 31 HD13 LEU 31 11.313 -7.996 10.537 244 1HD2 LEU 31 HD21 LEU 31 9.147 -9.589 9.097 245 2HD2 LEU 31 HD22 LEU 31 10.819 -9.358 8.582 246 3HD2 LEU 31 HD23 LEU 31 9.495 -8.929 7.500 247 H LYS 32 HN LYS 32 6.954 -4.550 7.249 248 HA LYS 32 HA LYS 32 4.138 -5.375 7.200 249 1HB LYS 32 HB2 LYS 32 5.256 -3.051 8.781 250 2HB LYS 32 HB1 LYS 32 3.543 -3.328 8.497 251 1HG LYS 32 HG2 LYS 32 3.644 -5.412 9.727 252 2HG LYS 32 HG1 LYS 32 5.385 -5.218 9.948 253 1HD LYS 32 HD2 LYS 32 4.981 -3.157 11.217 254 2HD LYS 32 HD1 LYS 32 3.243 -3.381 11.014 255 1HE LYS 32 HE2 LYS 32 5.093 -5.321 12.394 256 2HE LYS 32 HE1 LYS 32 4.070 -4.143 13.214 257 1HZ LYS 32 HZ1 LYS 32 2.992 -6.259 13.219 258 2HZ LYS 32 HZ2 LYS 32 3.153 -6.429 11.542 259 3HZ LYS 32 HZ3 LYS 32 2.131 -5.232 12.181 260 H GLN 33 HN GLN 33 3.342 -4.818 5.317 261 HA GLN 33 HA GLN 33 4.347 -2.378 4.016 262 1HB GLN 33 HB2 GLN 33 4.686 -4.389 2.681 263 2HB GLN 33 HB1 GLN 33 2.984 -4.804 2.825 264 1HG GLN 33 HG2 GLN 33 2.361 -2.874 1.519 265 2HG GLN 33 HG1 GLN 33 4.037 -2.333 1.466 266 1HE2 GLN 33 HE21 GLN 33 2.174 -2.997 -0.701 267 2HE2 GLN 33 HE22 GLN 33 2.966 -4.214 -1.636 268 H SER 34 HN SER 34 3.062 -0.777 4.725 269 HA SER 34 HA SER 34 0.203 -1.188 4.957 270 1HB SER 34 HB2 SER 34 1.876 1.308 5.346 271 2HB SER 34 HB1 SER 34 0.155 1.164 5.712 272 HG SER 34 HG SER 34 2.318 -0.194 6.946 273 H SER 35 HN SER 35 -0.807 -1.338 3.058 274 HA SER 35 HA SER 35 0.022 0.436 0.881 275 1HB SER 35 HB2 SER 35 -0.177 -2.021 0.426 276 2HB SER 35 HB1 SER 35 -1.899 -1.910 0.790 277 HG SER 35 HG SER 35 -1.703 -1.714 -1.399 278 H GLU 36 HN GLU 36 -0.884 2.351 1.442 279 HA GLU 36 HA GLU 36 -3.726 2.407 2.131 280 1HB GLU 36 HB2 GLU 36 -1.645 4.575 2.269 281 2HB GLU 36 HB1 GLU 36 -3.266 4.673 2.923 282 1HG GLU 36 HG2 GLU 36 -2.780 3.220 4.662 283 2HG GLU 36 HG1 GLU 36 -1.375 2.547 3.838 284 H THR 37 HN THR 37 -4.805 2.285 0.231 285 HA THR 37 HA THR 37 -3.906 3.883 -2.044 286 HB THR 37 HB THR 37 -6.062 1.769 -1.873 287 HG1 THR 37 HG1 THR 37 -3.837 1.059 -1.586 288 1HG2 THR 37 HG21 THR 37 -6.500 3.311 -3.698 289 2HG2 THR 37 HG22 THR 37 -5.931 1.769 -4.337 290 3HG2 THR 37 HG23 THR 37 -4.838 3.151 -4.261 291 H LYS 38 HN LYS 38 -4.626 5.924 -2.025 292 HA LYS 38 HA LYS 38 -7.277 6.531 -0.974 293 1HB LYS 38 HB2 LYS 38 -5.272 7.911 -0.369 294 2HB LYS 38 HB1 LYS 38 -5.207 8.442 -2.044 295 1HG LYS 38 HG2 LYS 38 -7.571 9.268 -1.745 296 2HG LYS 38 HG1 LYS 38 -7.356 8.976 -0.018 297 1HD LYS 38 HD2 LYS 38 -5.671 10.790 -1.740 298 2HD LYS 38 HD1 LYS 38 -6.900 11.304 -0.584 299 1HE LYS 38 HE2 LYS 38 -5.616 10.456 1.253 300 2HE LYS 38 HE1 LYS 38 -4.454 9.705 0.157 301 1HZ LYS 38 HZ1 LYS 38 -3.740 11.849 -0.580 302 2HZ LYS 38 HZ2 LYS 38 -3.683 11.833 1.120 303 3HZ LYS 38 HZ3 LYS 38 -4.948 12.629 0.321 304 H ILE 39 HN ILE 39 -8.845 6.084 -2.394 305 HA ILE 39 HA ILE 39 -8.434 6.753 -5.226 306 HB ILE 39 HB ILE 39 -10.686 5.165 -3.978 307 1HG1 ILE 39 HG12 ILE 39 -8.240 4.108 -5.411 308 2HG1 ILE 39 HG11 ILE 39 -8.422 4.127 -3.660 309 1HG2 ILE 39 HG21 ILE 39 -9.775 5.434 -6.841 310 2HG2 ILE 39 HG22 ILE 39 -11.233 6.139 -6.141 311 3HG2 ILE 39 HG23 ILE 39 -11.074 4.386 -6.268 312 1HD1 ILE 39 HD11 ILE 39 -10.172 2.640 -5.604 313 2HD1 ILE 39 HD12 ILE 39 -10.368 2.665 -3.850 314 3HD1 ILE 39 HD13 ILE 39 -8.929 1.939 -4.566 315 H GLN 40 HN GLN 40 -9.325 8.588 -6.006 316 HA GLN 40 HA GLN 40 -11.184 10.127 -4.460 317 1HB GLN 40 HB2 GLN 40 -10.571 10.456 -7.402 318 2HB GLN 40 HB1 GLN 40 -11.252 11.659 -6.322 319 1HG GLN 40 HG2 GLN 40 -8.438 10.631 -6.423 320 2HG GLN 40 HG1 GLN 40 -9.013 12.270 -6.701 321 1HE2 GLN 40 HE21 GLN 40 -8.021 9.950 -4.386 322 2HE2 GLN 40 HE22 GLN 40 -8.100 10.975 -2.999 323 H PHE 41 HN PHE 41 -13.410 10.571 -5.029 324 HA PHE 41 HA PHE 41 -14.891 8.305 -5.747 325 1HB PHE 41 HB2 PHE 41 -15.631 11.218 -5.590 326 2HB PHE 41 HB1 PHE 41 -16.800 9.999 -6.084 327 HD1 PHE 41 HD1 PHE 41 -17.551 11.531 -3.857 328 HD2 PHE 41 HD2 PHE 41 -14.931 8.176 -3.954 329 HE1 PHE 41 HE1 PHE 41 -18.055 11.070 -1.492 330 HE2 PHE 41 HE2 PHE 41 -15.432 7.712 -1.591 331 HZ PHE 41 HZ PHE 41 -16.995 9.158 -0.359 332 H ALA 42 HN ALA 42 -13.575 10.875 -7.692 333 HA ALA 42 HA ALA 42 -15.077 10.350 -10.044 334 1HB ALA 42 HB1 ALA 42 -13.958 12.488 -9.642 335 2HB ALA 42 HB2 ALA 42 -13.438 11.761 -11.163 336 3HB ALA 42 HB3 ALA 42 -12.391 11.686 -9.747 337 H SER 43 HN SER 43 -12.278 8.880 -8.620 338 HA SER 43 HA SER 43 -11.391 7.630 -11.068 339 1HB SER 43 HB2 SER 43 -10.531 6.979 -8.243 340 2HB SER 43 HB1 SER 43 -9.647 6.665 -9.737 341 HG SER 43 HG SER 43 -9.301 8.853 -9.978 342 H ILE 44 HN ILE 44 -13.181 6.727 -8.168 343 HA ILE 44 HA ILE 44 -13.353 3.952 -8.987 344 HB ILE 44 HB ILE 44 -13.090 4.399 -6.625 345 1HG1 ILE 44 HG12 ILE 44 -15.877 3.376 -7.213 346 2HG1 ILE 44 HG11 ILE 44 -14.402 2.418 -7.266 347 1HG2 ILE 44 HG21 ILE 44 -14.096 6.598 -6.513 348 2HG2 ILE 44 HG22 ILE 44 -14.822 5.530 -5.310 349 3HG2 ILE 44 HG23 ILE 44 -15.693 5.905 -6.798 350 1HD1 ILE 44 HD11 ILE 44 -15.649 2.025 -5.218 351 2HD1 ILE 44 HD12 ILE 44 -15.558 3.740 -4.822 352 3HD1 ILE 44 HD13 ILE 44 -14.087 2.768 -4.874 353 H GLY 45 HN GLY 45 -15.315 6.829 -9.135 354 1HA GLY 45 HA2 GLY 45 -17.133 7.135 -10.584 355 2HA GLY 45 HA1 GLY 45 -17.249 5.390 -10.773 356 H ALA 46 HN ALA 46 -16.977 6.618 -7.584 357 HA ALA 46 HA ALA 46 -19.686 5.719 -7.010 358 1HB ALA 46 HB1 ALA 46 -17.493 6.583 -5.128 359 2HB ALA 46 HB2 ALA 46 -17.853 4.921 -5.591 360 3HB ALA 46 HB3 ALA 46 -19.031 5.853 -4.669 361 H THR 47 HN THR 47 -21.330 7.052 -6.644 362 HA THR 47 HA THR 47 -21.067 9.832 -7.113 363 HB THR 47 HB THR 47 -23.451 8.431 -5.896 364 HG1 THR 47 HG1 THR 47 -23.581 7.400 -7.734 365 1HG2 THR 47 HG21 THR 47 -23.574 10.872 -5.883 366 2HG2 THR 47 HG22 THR 47 -24.724 10.196 -7.037 367 3HG2 THR 47 HG23 THR 47 -23.214 10.910 -7.608 368 H THR 48 HN THR 48 -21.618 7.914 -4.178 369 HA THR 48 HA THR 48 -20.979 10.287 -2.568 370 HB THR 48 HB THR 48 -22.680 9.486 -0.895 371 HG1 THR 48 HG1 THR 48 -24.403 8.171 -2.088 372 1HG2 THR 48 HG21 THR 48 -23.161 11.389 -2.346 373 2HG2 THR 48 HG22 THR 48 -24.617 10.427 -2.085 374 3HG2 THR 48 HG23 THR 48 -23.736 10.299 -3.608 375 H LYS 49 HN LYS 49 -20.838 9.450 -0.135 376 HA LYS 49 HA LYS 49 -18.620 7.660 -0.010 377 1HB LYS 49 HB2 LYS 49 -20.378 8.595 2.269 378 2HB LYS 49 HB1 LYS 49 -18.717 8.026 2.375 379 1HG LYS 49 HG2 LYS 49 -17.858 9.980 1.443 380 2HG LYS 49 HG1 LYS 49 -19.418 10.454 0.767 381 1HD LYS 49 HD2 LYS 49 -20.261 10.735 3.095 382 2HD LYS 49 HD1 LYS 49 -18.620 10.436 3.675 383 1HE LYS 49 HE2 LYS 49 -17.800 12.387 2.548 384 2HE LYS 49 HE1 LYS 49 -19.348 12.626 1.736 385 1HZ LYS 49 HZ1 LYS 49 -20.376 13.085 3.854 386 2HZ LYS 49 HZ2 LYS 49 -19.050 14.123 3.631 387 3HZ LYS 49 HZ3 LYS 49 -18.919 12.789 4.674 388 H GLU 50 HN GLU 50 -22.051 7.448 0.531 389 HA GLU 50 HA GLU 50 -22.235 4.903 1.706 390 1HB GLU 50 HB2 GLU 50 -24.028 6.711 1.424 391 2HB GLU 50 HB1 GLU 50 -24.227 6.121 -0.215 392 1HG GLU 50 HG2 GLU 50 -24.569 4.390 2.217 393 2HG GLU 50 HG1 GLU 50 -25.885 5.293 1.474 394 H ASP 51 HN ASP 51 -22.418 5.950 -1.671 395 HA ASP 51 HA ASP 51 -22.720 3.382 -2.799 396 1HB ASP 51 HB2 ASP 51 -23.226 5.586 -3.920 397 2HB ASP 51 HB1 ASP 51 -21.491 5.798 -4.135 398 H ALA 52 HN ALA 52 -19.900 5.344 -2.033 399 HA ALA 52 HA ALA 52 -17.947 3.777 -3.302 400 1HB ALA 52 HB1 ALA 52 -17.518 6.036 -2.464 401 2HB ALA 52 HB2 ALA 52 -16.348 4.878 -1.829 402 3HB ALA 52 HB3 ALA 52 -17.667 5.449 -0.808 403 H ALA 53 HN ALA 53 -19.328 3.605 -0.043 404 HA ALA 53 HA ALA 53 -17.665 1.568 0.947 405 1HB ALA 53 HB1 ALA 53 -20.525 2.149 1.710 406 2HB ALA 53 HB2 ALA 53 -19.100 2.943 2.382 407 3HB ALA 53 HB3 ALA 53 -19.356 1.219 2.652 408 H LYS 54 HN LYS 54 -20.683 1.450 -0.882 409 HA LYS 54 HA LYS 54 -21.191 -1.289 -0.700 410 1HB LYS 54 HB2 LYS 54 -21.933 0.858 -2.615 411 2HB LYS 54 HB1 LYS 54 -22.177 -0.807 -3.128 412 1HG LYS 54 HG2 LYS 54 -23.608 -1.232 -1.250 413 2HG LYS 54 HG1 LYS 54 -23.263 0.364 -0.580 414 1HD LYS 54 HD2 LYS 54 -24.459 1.453 -2.285 415 2HD LYS 54 HD1 LYS 54 -24.487 0.010 -3.301 416 1HE LYS 54 HE2 LYS 54 -26.656 0.564 -2.165 417 2HE LYS 54 HE1 LYS 54 -26.051 -1.066 -1.879 418 1HZ LYS 54 HZ1 LYS 54 -26.921 0.146 0.119 419 2HZ LYS 54 HZ2 LYS 54 -25.574 1.174 0.008 420 3HZ LYS 54 HZ3 LYS 54 -25.355 -0.488 0.279 421 H THR 55 HN THR 55 -18.814 0.408 -2.569 422 HA THR 55 HA THR 55 -18.233 -1.964 -4.158 423 HB THR 55 HB THR 55 -16.905 0.753 -4.195 424 HG1 THR 55 HG1 THR 55 -19.090 -0.380 -5.594 425 1HG2 THR 55 HG21 THR 55 -15.470 -1.036 -5.077 426 2HG2 THR 55 HG22 THR 55 -16.008 0.047 -6.361 427 3HG2 THR 55 HG23 THR 55 -16.764 -1.535 -6.166 428 H LEU 56 HN LEU 56 -16.795 0.008 -1.600 429 HA LEU 56 HA LEU 56 -14.276 -1.379 -1.782 430 1HB LEU 56 HB2 LEU 56 -15.244 0.721 0.144 431 2HB LEU 56 HB1 LEU 56 -13.614 0.079 0.112 432 HG LEU 56 HG LEU 56 -14.957 1.648 -2.090 433 1HD1 LEU 56 HD11 LEU 56 -12.673 2.328 -0.246 434 2HD1 LEU 56 HD12 LEU 56 -14.299 3.013 -0.193 435 3HD1 LEU 56 HD13 LEU 56 -13.254 3.326 -1.579 436 1HD2 LEU 56 HD21 LEU 56 -12.183 0.469 -1.955 437 2HD2 LEU 56 HD22 LEU 56 -12.772 1.566 -3.204 438 3HD2 LEU 56 HD23 LEU 56 -13.485 -0.039 -3.032 439 H GLU 57 HN GLU 57 -17.038 -1.432 0.456 440 HA GLU 57 HA GLU 57 -15.764 -2.759 2.552 441 1HB GLU 57 HB2 GLU 57 -18.653 -2.813 1.712 442 2HB GLU 57 HB1 GLU 57 -18.065 -3.624 3.156 443 1HG GLU 57 HG2 GLU 57 -17.109 -1.338 3.813 444 2HG GLU 57 HG1 GLU 57 -18.173 -0.693 2.562 445 HA PRO 58 HA PRO 58 -16.968 -7.015 0.586 446 1HB PRO 58 HB2 PRO 58 -17.533 -7.019 -2.083 447 2HB PRO 58 HB1 PRO 58 -18.770 -6.932 -0.824 448 1HG PRO 58 HG2 PRO 58 -17.571 -4.731 -2.458 449 2HG PRO 58 HG1 PRO 58 -19.267 -4.998 -2.012 450 1HD PRO 58 HD2 PRO 58 -17.713 -3.208 -0.729 451 2HD PRO 58 HD1 PRO 58 -18.977 -4.132 0.109 452 H LEU 59 HN LEU 59 -15.161 -4.499 -0.932 453 HA LEU 59 HA LEU 59 -13.408 -6.262 -2.403 454 1HB LEU 59 HB2 LEU 59 -14.034 -3.794 -2.933 455 2HB LEU 59 HB1 LEU 59 -12.813 -3.390 -1.745 456 HG LEU 59 HG LEU 59 -12.193 -5.117 -4.137 457 1HD1 LEU 59 HD11 LEU 59 -11.963 -2.120 -3.917 458 2HD1 LEU 59 HD12 LEU 59 -13.097 -2.999 -4.942 459 3HD1 LEU 59 HD13 LEU 59 -11.364 -3.111 -5.246 460 1HD2 LEU 59 HD21 LEU 59 -10.465 -3.414 -2.342 461 2HD2 LEU 59 HD22 LEU 59 -9.905 -4.361 -3.720 462 3HD2 LEU 59 HD23 LEU 59 -10.575 -5.173 -2.303 463 H SER 60 HN SER 60 -13.271 -4.337 0.583 464 HA SER 60 HA SER 60 -10.686 -5.120 1.378 465 1HB SER 60 HB2 SER 60 -13.055 -4.433 3.139 466 2HB SER 60 HB1 SER 60 -11.357 -4.387 3.611 467 HG SER 60 HG SER 60 -11.569 -2.925 1.433 468 H ALA 61 HN ALA 61 -13.772 -6.695 1.501 469 HA ALA 61 HA ALA 61 -13.128 -8.726 3.369 470 1HB ALA 61 HB1 ALA 61 -15.135 -9.838 2.570 471 2HB ALA 61 HB2 ALA 61 -15.200 -8.754 1.180 472 3HB ALA 61 HB3 ALA 61 -15.432 -8.115 2.808 473 H LYS 62 HN LYS 62 -12.066 -8.202 0.198 474 HA LYS 62 HA LYS 62 -11.690 -10.930 -0.582 475 1HB LYS 62 HB2 LYS 62 -10.275 -8.438 -1.552 476 2HB LYS 62 HB1 LYS 62 -10.196 -10.019 -2.317 477 1HG LYS 62 HG2 LYS 62 -12.622 -9.920 -2.723 478 2HG LYS 62 HG1 LYS 62 -12.654 -8.304 -2.018 479 1HD LYS 62 HD2 LYS 62 -12.584 -8.057 -4.393 480 2HD LYS 62 HD1 LYS 62 -11.002 -7.600 -3.763 481 1HE LYS 62 HE2 LYS 62 -10.762 -8.968 -5.757 482 2HE LYS 62 HE1 LYS 62 -10.139 -9.819 -4.345 483 1HZ LYS 62 HZ1 LYS 62 -12.173 -11.101 -4.237 484 2HZ LYS 62 HZ2 LYS 62 -11.480 -11.263 -5.775 485 3HZ LYS 62 HZ3 LYS 62 -12.821 -10.249 -5.554 486 H TYR 63 HN TYR 63 -10.008 -8.674 1.416 487 HA TYR 63 HA TYR 63 -7.582 -10.229 1.584 488 1HB TYR 63 HB2 TYR 63 -8.648 -7.938 3.255 489 2HB TYR 63 HB1 TYR 63 -7.091 -8.709 3.536 490 HD1 TYR 63 HD1 TYR 63 -9.031 -6.652 1.157 491 HD2 TYR 63 HD2 TYR 63 -5.201 -8.196 2.187 492 HE1 TYR 63 HE1 TYR 63 -7.986 -5.131 -0.468 493 HE2 TYR 63 HE2 TYR 63 -4.146 -6.680 0.570 494 HH TYR 63 HH TYR 63 -5.842 -4.101 -0.913 495 H LYS 64 HN LYS 64 -10.164 -9.415 3.870 496 HA LYS 64 HA LYS 64 -11.191 -10.560 5.512 497 1HB LYS 64 HB2 LYS 64 -11.739 -12.046 3.595 498 2HB LYS 64 HB1 LYS 64 -10.335 -13.025 3.996 499 1HG LYS 64 HG2 LYS 64 -11.318 -13.510 6.188 500 2HG LYS 64 HG1 LYS 64 -12.739 -12.563 5.746 501 1HD LYS 64 HD2 LYS 64 -13.236 -14.087 3.937 502 2HD LYS 64 HD1 LYS 64 -11.753 -14.991 4.255 503 1HE LYS 64 HE2 LYS 64 -14.110 -14.700 6.114 504 2HE LYS 64 HE1 LYS 64 -13.670 -16.146 5.203 505 1HZ LYS 64 HZ1 LYS 64 -11.575 -16.214 6.443 506 2HZ LYS 64 HZ2 LYS 64 -12.918 -16.328 7.473 507 3HZ LYS 64 HZ3 LYS 64 -12.063 -14.869 7.355 508 H ASN 65 HN ASN 65 -8.982 -13.256 5.130 509 HA ASN 65 HA ASN 65 -7.591 -12.470 7.584 510 1HB ASN 65 HB2 ASN 65 -9.049 -15.096 7.216 511 2HB ASN 65 HB1 ASN 65 -7.926 -14.760 8.527 512 1HD2 ASN 65 HD21 ASN 65 -8.519 -13.220 10.115 513 2HD2 ASN 65 HD22 ASN 65 -10.176 -12.810 10.377 514 H ILE 66 HN ILE 66 -6.633 -12.540 4.900 515 HA ILE 66 HA ILE 66 -5.152 -14.822 4.234 516 HB ILE 66 HB ILE 66 -4.295 -11.947 3.830 517 1HG1 ILE 66 HG12 ILE 66 -5.890 -13.766 2.019 518 2HG1 ILE 66 HG11 ILE 66 -6.522 -12.380 2.906 519 1HG2 ILE 66 HG21 ILE 66 -2.978 -12.819 1.958 520 2HG2 ILE 66 HG22 ILE 66 -3.465 -14.460 2.383 521 3HG2 ILE 66 HG23 ILE 66 -2.469 -13.519 3.494 522 1HD1 ILE 66 HD11 ILE 66 -4.456 -12.286 0.725 523 2HD1 ILE 66 HD12 ILE 66 -5.079 -10.901 1.622 524 3HD1 ILE 66 HD13 ILE 66 -6.155 -11.834 0.580 525 H ALA 67 HN ALA 67 -4.474 -12.200 6.429 526 HA ALA 67 HA ALA 67 -2.523 -13.610 7.936 527 1HB ALA 67 HB1 ALA 67 -0.595 -12.175 7.392 528 2HB ALA 67 HB2 ALA 67 -1.541 -11.389 6.129 529 3HB ALA 67 HB3 ALA 67 -1.125 -13.098 5.985 530 H GLY 68 HN GLY 68 -1.163 -11.063 8.662 531 1HA GLY 68 HA2 GLY 68 -3.200 -9.873 10.316 532 2HA GLY 68 HA1 GLY 68 -1.525 -9.350 10.181 533 H VAL 69 HN VAL 69 -4.028 -9.727 7.711 534 HA VAL 69 HA VAL 69 -3.284 -7.186 6.566 535 HB VAL 69 HB VAL 69 -5.047 -7.801 4.823 536 1HG1 VAL 69 HG11 VAL 69 -3.578 -9.430 3.741 537 2HG1 VAL 69 HG12 VAL 69 -2.740 -9.692 5.272 538 3HG1 VAL 69 HG13 VAL 69 -2.654 -8.119 4.477 539 1HG2 VAL 69 HG21 VAL 69 -4.954 -10.432 6.296 540 2HG2 VAL 69 HG22 VAL 69 -5.704 -10.158 4.721 541 3HG2 VAL 69 HG23 VAL 69 -6.352 -9.365 6.158 542 H GLU 70 HN GLU 70 -3.982 -5.534 7.691 543 HA GLU 70 HA GLU 70 -6.719 -5.524 8.735 544 1HB GLU 70 HB2 GLU 70 -4.694 -5.069 10.205 545 2HB GLU 70 HB1 GLU 70 -4.492 -3.567 9.317 546 1HG GLU 70 HG2 GLU 70 -5.638 -3.242 11.443 547 2HG GLU 70 HG1 GLU 70 -6.645 -2.792 10.068 548 H GLU 71 HN GLU 71 -8.153 -4.698 7.319 549 HA GLU 71 HA GLU 71 -7.273 -2.526 5.554 550 1HB GLU 71 HB2 GLU 71 -9.861 -3.264 4.797 551 2HB GLU 71 HB1 GLU 71 -8.361 -3.661 3.979 552 1HG GLU 71 HG2 GLU 71 -9.529 -5.684 4.252 553 2HG GLU 71 HG1 GLU 71 -8.229 -5.703 5.438 554 H LYS 72 HN LYS 72 -7.571 -0.604 6.378 555 HA LYS 72 HA LYS 72 -10.026 -0.051 7.904 556 1HB LYS 72 HB2 LYS 72 -7.906 0.292 9.111 557 2HB LYS 72 HB1 LYS 72 -7.380 1.418 7.872 558 1HG LYS 72 HG2 LYS 72 -9.120 2.973 8.490 559 2HG LYS 72 HG1 LYS 72 -9.770 1.821 9.661 560 1HD LYS 72 HD2 LYS 72 -7.665 1.903 10.908 561 2HD LYS 72 HD1 LYS 72 -7.013 3.047 9.738 562 1HE LYS 72 HE2 LYS 72 -9.452 3.543 11.436 563 2HE LYS 72 HE1 LYS 72 -7.828 4.095 11.840 564 1HZ LYS 72 HZ1 LYS 72 -7.860 5.260 9.624 565 2HZ LYS 72 HZ2 LYS 72 -8.896 5.893 10.810 566 3HZ LYS 72 HZ3 LYS 72 -9.527 4.933 9.565 567 H LEU 73 HN LEU 73 -11.511 0.657 6.503 568 HA LEU 73 HA LEU 73 -10.796 2.228 4.193 569 1HB LEU 73 HB2 LEU 73 -13.432 1.279 5.300 570 2HB LEU 73 HB1 LEU 73 -13.302 2.266 3.857 571 HG LEU 73 HG LEU 73 -12.015 -0.447 4.167 572 1HD1 LEU 73 HD11 LEU 73 -13.784 -1.249 2.681 573 2HD1 LEU 73 HD12 LEU 73 -14.555 0.335 2.744 574 3HD1 LEU 73 HD13 LEU 73 -14.444 -0.649 4.202 575 1HD2 LEU 73 HD21 LEU 73 -11.754 -0.277 1.731 576 2HD2 LEU 73 HD22 LEU 73 -10.882 0.999 2.581 577 3HD2 LEU 73 HD23 LEU 73 -12.415 1.359 1.785 578 H THR 74 HN THR 74 -10.452 4.330 4.287 579 HA THR 74 HA THR 74 -11.867 5.880 6.348 580 HB THR 74 HB THR 74 -10.092 7.624 5.930 581 HG1 THR 74 HG1 THR 74 -9.121 5.526 4.298 582 1HG2 THR 74 HG21 THR 74 -9.976 6.158 7.864 583 2HG2 THR 74 HG22 THR 74 -8.362 6.453 7.215 584 3HG2 THR 74 HG23 THR 74 -9.174 4.920 6.897 585 H TYR 75 HN TYR 75 -13.651 6.738 5.526 586 HA TYR 75 HA TYR 75 -13.603 7.894 2.835 587 1HB TYR 75 HB2 TYR 75 -15.937 7.565 4.745 588 2HB TYR 75 HB1 TYR 75 -16.032 8.057 3.057 589 HD1 TYR 75 HD1 TYR 75 -15.598 5.244 5.350 590 HD2 TYR 75 HD2 TYR 75 -15.700 6.418 1.263 591 HE1 TYR 75 HE1 TYR 75 -15.817 2.889 4.686 592 HE2 TYR 75 HE2 TYR 75 -15.921 4.066 0.589 593 HH TYR 75 HH TYR 75 -15.375 1.829 1.514 594 H THR 76 HN THR 76 -12.744 9.903 2.849 595 HA THR 76 HA THR 76 -12.853 11.423 5.321 596 HB THR 76 HB THR 76 -11.363 12.093 2.784 597 HG1 THR 76 HG1 THR 76 -10.826 10.316 4.874 598 1HG2 THR 76 HG21 THR 76 -11.649 13.975 4.331 599 2HG2 THR 76 HG22 THR 76 -9.965 13.454 4.264 600 3HG2 THR 76 HG23 THR 76 -10.975 13.005 5.639 601 H ASP 77 HN ASP 77 -13.858 11.745 1.973 602 HA ASP 77 HA ASP 77 -16.021 13.435 2.560 603 1HB ASP 77 HB2 ASP 77 -14.369 15.153 3.006 604 2HB ASP 77 HB1 ASP 77 -13.578 14.842 1.463 605 H THR 78 HN THR 78 -13.775 13.769 -0.166 606 HA THR 78 HA THR 78 -15.882 12.637 -1.893 607 HB THR 78 HB THR 78 -13.809 14.679 -2.747 608 HG1 THR 78 HG1 THR 78 -15.194 15.662 -1.234 609 1HG2 THR 78 HG21 THR 78 -16.399 13.771 -4.023 610 2HG2 THR 78 HG22 THR 78 -14.776 13.356 -4.575 611 3HG2 THR 78 HG23 THR 78 -15.331 15.028 -4.647 612 H TYR 79 HN TYR 79 -13.482 11.521 -0.440 613 HA TYR 79 HA TYR 79 -12.718 9.755 -2.573 614 1HB TYR 79 HB2 TYR 79 -10.300 9.972 -2.207 615 2HB TYR 79 HB1 TYR 79 -10.994 11.477 -2.793 616 HD1 TYR 79 HD1 TYR 79 -10.991 13.459 -1.427 617 HD2 TYR 79 HD2 TYR 79 -9.503 9.783 0.105 618 HE1 TYR 79 HE1 TYR 79 -9.943 14.665 0.441 619 HE2 TYR 79 HE2 TYR 79 -8.455 10.978 1.979 620 HH TYR 79 HH TYR 79 -7.688 13.175 2.557 621 H ALA 80 HN ALA 80 -11.683 7.841 -1.790 622 HA ALA 80 HA ALA 80 -12.013 7.427 1.104 623 1HB ALA 80 HB1 ALA 80 -12.914 5.202 0.655 624 2HB ALA 80 HB2 ALA 80 -12.837 5.515 -1.079 625 3HB ALA 80 HB3 ALA 80 -13.926 6.456 -0.059 626 H GLN 81 HN GLN 81 -10.226 6.683 2.025 627 HA GLN 81 HA GLN 81 -8.140 5.565 0.287 628 1HB GLN 81 HB2 GLN 81 -7.607 7.561 1.735 629 2HB GLN 81 HB1 GLN 81 -7.866 6.534 3.133 630 1HG GLN 81 HG2 GLN 81 -6.050 5.084 2.449 631 2HG GLN 81 HG1 GLN 81 -5.800 6.055 0.998 632 1HE2 GLN 81 HE21 GLN 81 -5.425 5.897 4.444 633 2HE2 GLN 81 HE22 GLN 81 -4.345 7.234 4.591 634 H GLU 82 HN GLU 82 -7.959 3.442 0.266 635 HA GLU 82 HA GLU 82 -8.939 1.838 2.469 636 1HB GLU 82 HB2 GLU 82 -7.388 0.938 0.026 637 2HB GLU 82 HB1 GLU 82 -8.309 -0.080 1.124 638 1HG GLU 82 HG2 GLU 82 -10.374 1.037 0.401 639 2HG GLU 82 HG1 GLU 82 -9.433 2.002 -0.737 640 H ASN 83 HN ASN 83 -7.659 2.293 4.216 641 HA ASN 83 HA ASN 83 -4.779 2.320 4.011 642 1HB ASN 83 HB2 ASN 83 -6.116 3.694 5.673 643 2HB ASN 83 HB1 ASN 83 -6.475 2.199 6.520 644 1HD2 ASN 83 HD21 ASN 83 -3.723 1.141 5.991 645 2HD2 ASN 83 HD22 ASN 83 -2.692 2.001 7.080 646 H VAL 84 HN VAL 84 -4.146 0.331 3.272 647 HA VAL 84 HA VAL 84 -5.219 -2.028 4.665 648 HB VAL 84 HB VAL 84 -3.518 -1.906 2.166 649 1HG1 VAL 84 HG11 VAL 84 -4.982 -4.216 3.440 650 2HG1 VAL 84 HG12 VAL 84 -3.232 -4.000 3.370 651 3HG1 VAL 84 HG13 VAL 84 -4.149 -4.260 1.886 652 1HG2 VAL 84 HG21 VAL 84 -6.483 -2.365 2.484 653 2HG2 VAL 84 HG22 VAL 84 -5.582 -2.487 0.974 654 3HG2 VAL 84 HG23 VAL 84 -5.718 -0.933 1.795 655 H THR 85 HN THR 85 -4.036 -3.172 6.057 656 HA THR 85 HA THR 85 -1.186 -2.471 6.290 657 HB THR 85 HB THR 85 -2.847 -3.722 8.472 658 HG1 THR 85 HG1 THR 85 -3.729 -1.648 7.714 659 1HG2 THR 85 HG21 THR 85 -0.438 -3.802 8.767 660 2HG2 THR 85 HG22 THR 85 -1.148 -2.655 9.904 661 3HG2 THR 85 HG23 THR 85 -0.323 -2.069 8.457 662 H ILE 86 HN ILE 86 -0.103 -4.005 5.157 663 HA ILE 86 HA ILE 86 -1.012 -6.787 5.341 664 HB ILE 86 HB ILE 86 1.044 -5.601 3.467 665 1HG1 ILE 86 HG12 ILE 86 -1.851 -6.315 2.934 666 2HG1 ILE 86 HG11 ILE 86 -1.232 -4.677 3.105 667 1HG2 ILE 86 HG21 ILE 86 -0.352 -8.276 3.450 668 2HG2 ILE 86 HG22 ILE 86 1.341 -7.986 3.849 669 3HG2 ILE 86 HG23 ILE 86 0.757 -7.686 2.212 670 1HD1 ILE 86 HD11 ILE 86 -0.471 -6.641 0.956 671 2HD1 ILE 86 HD12 ILE 86 0.168 -5.007 1.129 672 3HD1 ILE 86 HD13 ILE 86 -1.543 -5.253 0.774 673 H ASP 87 HN ASP 87 -0.124 -7.849 6.991 674 HA ASP 87 HA ASP 87 2.571 -7.263 7.889 675 1HB ASP 87 HB2 ASP 87 0.661 -7.782 9.460 676 2HB ASP 87 HB1 ASP 87 0.712 -9.438 8.866 677 H MET 88 HN MET 88 4.252 -8.137 6.895 678 HA MET 88 HA MET 88 3.836 -10.294 5.010 679 1HB MET 88 HB2 MET 88 6.224 -8.567 5.634 680 2HB MET 88 HB1 MET 88 6.253 -9.859 4.443 681 1HG MET 88 HG2 MET 88 4.434 -7.466 4.373 682 2HG MET 88 HG1 MET 88 5.910 -7.663 3.431 683 1HE MET 88 HE1 MET 88 4.642 -7.201 1.173 684 2HE MET 88 HE2 MET 88 3.170 -6.924 2.105 685 3HE MET 88 HE3 MET 88 3.142 -8.006 0.711 686 H GLU 89 HN GLU 89 4.375 -10.357 8.204 687 HA GLU 89 HA GLU 89 6.315 -12.527 8.157 688 1HB GLU 89 HB2 GLU 89 4.941 -10.989 10.337 689 2HB GLU 89 HB1 GLU 89 5.745 -12.511 10.691 690 1HG GLU 89 HG2 GLU 89 7.135 -10.241 9.308 691 2HG GLU 89 HG1 GLU 89 7.082 -10.402 11.064 692 H LYS 90 HN LYS 90 3.010 -12.143 7.781 693 HA LYS 90 HA LYS 90 2.553 -14.956 8.521 694 1HB LYS 90 HB2 LYS 90 1.624 -13.293 10.183 695 2HB LYS 90 HB1 LYS 90 0.538 -12.743 8.917 696 1HG LYS 90 HG2 LYS 90 -0.393 -15.030 8.776 697 2HG LYS 90 HG1 LYS 90 0.638 -15.498 10.130 698 1HD LYS 90 HD2 LYS 90 -0.443 -13.768 11.515 699 2HD LYS 90 HD1 LYS 90 -1.509 -13.380 10.163 700 1HE LYS 90 HE2 LYS 90 -2.682 -14.826 11.674 701 2HE LYS 90 HE1 LYS 90 -2.322 -15.723 10.200 702 1HZ LYS 90 HZ1 LYS 90 -1.908 -16.995 12.250 703 2HZ LYS 90 HZ2 LYS 90 -0.717 -15.874 12.695 704 3HZ LYS 90 HZ3 LYS 90 -0.514 -16.821 11.301 705 H VAL 91 HN VAL 91 2.687 -12.879 6.011 706 HA VAL 91 HA VAL 91 0.226 -13.044 4.708 707 HB VAL 91 HB VAL 91 1.706 -12.825 2.555 708 1HG1 VAL 91 HG11 VAL 91 1.554 -10.692 4.674 709 2HG1 VAL 91 HG12 VAL 91 0.328 -11.059 3.457 710 3HG1 VAL 91 HG13 VAL 91 1.895 -10.421 2.963 711 1HG2 VAL 91 HG21 VAL 91 3.804 -13.487 3.574 712 2HG2 VAL 91 HG22 VAL 91 3.675 -12.171 4.741 713 3HG2 VAL 91 HG23 VAL 91 3.888 -11.812 3.027 714 H ASP 92 HN ASP 92 -0.827 -14.597 3.747 715 HA ASP 92 HA ASP 92 0.557 -16.993 2.840 716 1HB ASP 92 HB2 ASP 92 -1.570 -17.356 3.966 717 2HB ASP 92 HB1 ASP 92 -2.381 -16.260 2.850 718 H PHE 93 HN PHE 93 1.547 -16.795 0.934 719 HA PHE 93 HA PHE 93 0.852 -14.710 -0.878 720 1HB PHE 93 HB2 PHE 93 2.800 -16.998 -1.143 721 2HB PHE 93 HB1 PHE 93 2.607 -15.725 -2.342 722 HD1 PHE 93 HD1 PHE 93 3.859 -16.542 0.999 723 HD2 PHE 93 HD2 PHE 93 3.391 -13.490 -1.928 724 HE1 PHE 93 HE1 PHE 93 5.476 -15.138 2.210 725 HE2 PHE 93 HE2 PHE 93 5.007 -12.080 -0.722 726 HZ PHE 93 HZ PHE 93 6.051 -12.902 1.349 727 H LYS 94 HN LYS 94 -0.359 -17.818 -0.422 728 HA LYS 94 HA LYS 94 -1.015 -18.448 -3.122 729 1HB LYS 94 HB2 LYS 94 -2.337 -19.414 -0.578 730 2HB LYS 94 HB1 LYS 94 -2.487 -20.149 -2.169 731 1HG LYS 94 HG2 LYS 94 -0.080 -20.645 -2.150 732 2HG LYS 94 HG1 LYS 94 0.035 -19.951 -0.532 733 1HD LYS 94 HD2 LYS 94 -1.584 -21.636 0.270 734 2HD LYS 94 HD1 LYS 94 -1.602 -22.352 -1.342 735 1HE LYS 94 HE2 LYS 94 0.781 -22.126 0.491 736 2HE LYS 94 HE1 LYS 94 -0.122 -23.595 0.128 737 1HZ LYS 94 HZ1 LYS 94 1.835 -23.582 -1.200 738 2HZ LYS 94 HZ2 LYS 94 1.548 -22.006 -1.741 739 3HZ LYS 94 HZ3 LYS 94 0.531 -23.269 -2.240 740 H ALA 95 HN ALA 95 -2.786 -16.931 -0.440 741 HA ALA 95 HA ALA 95 -5.039 -16.264 -2.107 742 1HB ALA 95 HB1 ALA 95 -5.821 -14.979 -0.178 743 2HB ALA 95 HB2 ALA 95 -4.266 -15.226 0.619 744 3HB ALA 95 HB3 ALA 95 -5.318 -16.602 0.295 745 H LEU 96 HN LEU 96 -2.076 -14.754 -1.081 746 HA LEU 96 HA LEU 96 -2.674 -12.091 -1.858 747 1HB LEU 96 HB2 LEU 96 -0.820 -12.901 -0.316 748 2HB LEU 96 HB1 LEU 96 0.051 -13.371 -1.761 749 HG LEU 96 HG LEU 96 -0.652 -10.698 -2.177 750 1HD1 LEU 96 HD11 LEU 96 0.294 -9.590 -0.209 751 2HD1 LEU 96 HD12 LEU 96 0.357 -11.149 0.616 752 3HD1 LEU 96 HD13 LEU 96 -1.200 -10.454 0.154 753 1HD2 LEU 96 HD21 LEU 96 1.949 -11.915 -1.266 754 2HD2 LEU 96 HD22 LEU 96 1.761 -10.330 -2.014 755 3HD2 LEU 96 HD23 LEU 96 1.390 -11.788 -2.934 756 H GLN 97 HN GLN 97 -1.879 -14.910 -3.621 757 HA GLN 97 HA GLN 97 -0.597 -13.901 -5.869 758 1HB GLN 97 HB2 GLN 97 -0.856 -16.289 -5.471 759 2HB GLN 97 HB1 GLN 97 -2.598 -16.158 -5.654 760 1HG GLN 97 HG2 GLN 97 -2.377 -15.637 -7.979 761 2HG GLN 97 HG1 GLN 97 -0.622 -15.547 -7.835 762 1HE2 GLN 97 HE21 GLN 97 -3.392 -17.670 -7.903 763 2HE2 GLN 97 HE22 GLN 97 -2.504 -19.128 -8.174 764 H GLY 98 HN GLY 98 -3.964 -13.775 -4.936 765 1HA GLY 98 HA2 GLY 98 -4.789 -12.668 -7.489 766 2HA GLY 98 HA1 GLY 98 -5.806 -12.910 -6.075 767 H ILE 99 HN ILE 99 -4.484 -11.531 -4.144 768 HA ILE 99 HA ILE 99 -4.475 -8.777 -5.175 769 HB ILE 99 HB ILE 99 -5.144 -8.140 -2.803 770 1HG1 ILE 99 HG12 ILE 99 -5.874 -11.077 -2.703 771 2HG1 ILE 99 HG11 ILE 99 -4.643 -10.286 -1.722 772 1HG2 ILE 99 HG21 ILE 99 -7.535 -8.596 -3.233 773 2HG2 ILE 99 HG22 ILE 99 -7.065 -9.700 -4.524 774 3HG2 ILE 99 HG23 ILE 99 -6.689 -7.982 -4.654 775 1HD1 ILE 99 HD11 ILE 99 -6.674 -10.642 -0.454 776 2HD1 ILE 99 HD12 ILE 99 -7.597 -9.726 -1.645 777 3HD1 ILE 99 HD13 ILE 99 -6.370 -8.918 -0.670 778 H SER 100 HN SER 100 -2.315 -8.471 -5.452 779 HA SER 100 HA SER 100 -0.537 -9.095 -3.202 780 1HB SER 100 HB2 SER 100 0.235 -8.277 -6.008 781 2HB SER 100 HB1 SER 100 1.284 -8.971 -4.773 782 HG SER 100 HG SER 100 -0.585 -10.717 -4.980 783 H GLY 101 HN GLY 101 -1.707 -6.483 -5.219 784 1HA GLY 101 HA2 GLY 101 -1.736 -4.202 -4.731 785 2HA GLY 101 HA1 GLY 101 -0.736 -4.515 -3.317 786 H ILE 102 HN ILE 102 0.775 -6.156 -5.607 787 HA ILE 102 HA ILE 102 2.615 -3.951 -6.189 788 HB ILE 102 HB ILE 102 3.087 -6.928 -6.451 789 1HG1 ILE 102 HG12 ILE 102 4.041 -5.035 -4.290 790 2HG1 ILE 102 HG11 ILE 102 2.707 -6.170 -4.105 791 1HG2 ILE 102 HG21 ILE 102 5.457 -6.301 -6.618 792 2HG2 ILE 102 HG22 ILE 102 5.002 -4.597 -6.572 793 3HG2 ILE 102 HG23 ILE 102 4.500 -5.608 -7.928 794 1HD1 ILE 102 HD11 ILE 102 4.748 -7.025 -3.107 795 2HD1 ILE 102 HD12 ILE 102 5.572 -6.895 -4.662 796 3HD1 ILE 102 HD13 ILE 102 4.237 -8.030 -4.464 797 H ASN 103 HN ASN 103 2.034 -3.003 -8.046 798 HA ASN 103 HA ASN 103 1.083 -4.664 -10.253 799 1HB ASN 103 HB2 ASN 103 0.976 -1.683 -9.779 800 2HB ASN 103 HB1 ASN 103 0.475 -2.439 -11.289 801 1HD2 ASN 103 HD21 ASN 103 -1.112 -0.900 -9.424 802 2HD2 ASN 103 HD22 ASN 103 -2.405 -1.936 -8.906 803 H VAL 104 HN VAL 104 3.873 -4.559 -9.453 804 HA VAL 104 HA VAL 104 5.096 -3.317 -11.811 805 HB VAL 104 HB VAL 104 6.517 -4.461 -9.405 806 1HG1 VAL 104 HG11 VAL 104 7.898 -4.417 -11.398 807 2HG1 VAL 104 HG12 VAL 104 8.442 -3.183 -10.260 808 3HG1 VAL 104 HG13 VAL 104 7.489 -2.724 -11.672 809 1HG2 VAL 104 HG21 VAL 104 5.869 -1.580 -10.027 810 2HG2 VAL 104 HG22 VAL 104 6.863 -2.149 -8.686 811 3HG2 VAL 104 HG23 VAL 104 5.147 -2.551 -8.743 812 H SER 105 HN SER 105 6.215 -6.092 -9.967 813 HA SER 105 HA SER 105 5.777 -7.786 -12.328 814 1HB SER 105 HB2 SER 105 8.211 -7.884 -10.527 815 2HB SER 105 HB1 SER 105 7.925 -8.865 -11.963 816 HG SER 105 HG SER 105 9.149 -6.569 -11.863 817 H ALA 106 HN ALA 106 4.659 -9.591 -11.881 818 HA ALA 106 HA ALA 106 3.973 -10.281 -9.184 819 1HB ALA 106 HB1 ALA 106 2.365 -10.685 -10.939 820 2HB ALA 106 HB2 ALA 106 2.834 -12.224 -10.217 821 3HB ALA 106 HB3 ALA 106 3.497 -11.744 -11.779 822 H GLU 107 HN GLU 107 6.389 -11.167 -11.475 823 HA GLU 107 HA GLU 107 7.281 -13.601 -10.412 824 1HB GLU 107 HB2 GLU 107 7.954 -12.459 -12.592 825 2HB GLU 107 HB1 GLU 107 9.035 -11.463 -11.634 826 1HG GLU 107 HG2 GLU 107 9.218 -14.442 -11.503 827 2HG GLU 107 HG1 GLU 107 9.942 -13.558 -12.844 828 H ASP 108 HN ASP 108 7.791 -10.284 -9.412 829 HA ASP 108 HA ASP 108 9.863 -10.843 -7.534 830 1HB ASP 108 HB2 ASP 108 8.107 -8.479 -8.101 831 2HB ASP 108 HB1 ASP 108 9.077 -8.507 -6.637 832 H ALA 109 HN ALA 109 6.360 -10.670 -7.402 833 HA ALA 109 HA ALA 109 6.157 -10.849 -4.568 834 1HB ALA 109 HB1 ALA 109 4.132 -11.608 -6.676 835 2HB ALA 109 HB2 ALA 109 4.317 -10.012 -5.947 836 3HB ALA 109 HB3 ALA 109 3.806 -11.380 -4.957 837 H LYS 110 HN LYS 110 6.348 -13.173 -7.185 838 HA LYS 110 HA LYS 110 5.961 -15.467 -5.451 839 1HB LYS 110 HB2 LYS 110 6.921 -15.376 -8.322 840 2HB LYS 110 HB1 LYS 110 6.310 -16.783 -7.465 841 1HG LYS 110 HG2 LYS 110 4.099 -15.887 -7.418 842 2HG LYS 110 HG1 LYS 110 4.661 -14.328 -8.026 843 1HD LYS 110 HD2 LYS 110 5.394 -15.480 -10.108 844 2HD LYS 110 HD1 LYS 110 4.651 -16.959 -9.501 845 1HE LYS 110 HE2 LYS 110 2.478 -15.926 -9.494 846 2HE LYS 110 HE1 LYS 110 3.177 -14.364 -9.916 847 1HZ LYS 110 HZ1 LYS 110 3.864 -15.276 -12.038 848 2HZ LYS 110 HZ2 LYS 110 2.190 -15.457 -11.837 849 3HZ LYS 110 HZ3 LYS 110 3.224 -16.791 -11.633 850 H LYS 111 HN LYS 111 8.336 -13.364 -5.669 851 HA LYS 111 HA LYS 111 10.581 -15.243 -5.799 852 1HB LYS 111 HB2 LYS 111 10.725 -13.321 -7.262 853 2HB LYS 111 HB1 LYS 111 10.412 -12.230 -5.924 854 1HG LYS 111 HG2 LYS 111 12.557 -12.877 -4.921 855 2HG LYS 111 HG1 LYS 111 12.873 -13.917 -6.314 856 1HD LYS 111 HD2 LYS 111 12.458 -10.926 -6.366 857 2HD LYS 111 HD1 LYS 111 13.990 -11.774 -6.590 858 1HE LYS 111 HE2 LYS 111 13.249 -12.735 -8.638 859 2HE LYS 111 HE1 LYS 111 11.594 -12.199 -8.362 860 1HZ LYS 111 HZ1 LYS 111 12.299 -9.918 -8.620 861 2HZ LYS 111 HZ2 LYS 111 12.755 -10.818 -9.985 862 3HZ LYS 111 HZ3 LYS 111 13.915 -10.401 -8.820 863 H GLY 112 HN GLY 112 9.033 -12.854 -3.749 864 1HA GLY 112 HA2 GLY 112 9.175 -13.205 -1.308 865 2HA GLY 112 HA1 GLY 112 10.880 -13.580 -1.557 866 H ILE 113 HN ILE 113 8.704 -11.190 -0.757 867 HA ILE 113 HA ILE 113 9.946 -8.988 -2.084 868 HB ILE 113 HB ILE 113 7.888 -9.056 0.119 869 1HG1 ILE 113 HG12 ILE 113 7.060 -10.013 -1.943 870 2HG1 ILE 113 HG11 ILE 113 6.351 -8.414 -1.743 871 1HG2 ILE 113 HG21 ILE 113 7.479 -6.699 -0.410 872 2HG2 ILE 113 HG22 ILE 113 8.842 -6.718 -1.531 873 3HG2 ILE 113 HG23 ILE 113 9.115 -6.959 0.196 874 1HD1 ILE 113 HD11 ILE 113 7.942 -7.499 -3.344 875 2HD1 ILE 113 HD12 ILE 113 7.017 -8.825 -4.051 876 3HD1 ILE 113 HD13 ILE 113 8.681 -9.090 -3.528 877 H THR 114 HN THR 114 11.867 -8.308 -1.554 878 HA THR 114 HA THR 114 12.607 -8.060 1.280 879 HB THR 114 HB THR 114 14.915 -7.840 0.513 880 HG1 THR 114 HG1 THR 114 14.488 -8.507 -2.112 881 1HG2 THR 114 HG21 THR 114 14.050 -10.118 0.839 882 2HG2 THR 114 HG22 THR 114 15.267 -10.066 -0.436 883 3HG2 THR 114 HG23 THR 114 13.557 -10.169 -0.855 884 H MET 115 HN MET 115 14.007 -5.999 1.673 885 HA MET 115 HA MET 115 12.556 -3.732 0.674 886 1HB MET 115 HB2 MET 115 13.580 -3.843 2.977 887 2HB MET 115 HB1 MET 115 15.158 -3.667 2.210 888 1HG MET 115 HG2 MET 115 14.299 -1.533 3.044 889 2HG MET 115 HG1 MET 115 14.506 -1.523 1.290 890 1HE MET 115 HE1 MET 115 12.826 0.777 2.392 891 2HE MET 115 HE2 MET 115 11.378 0.704 1.389 892 3HE MET 115 HE3 MET 115 12.964 0.421 0.670 893 H ALA 116 HN ALA 116 15.580 -5.326 -0.034 894 HA ALA 116 HA ALA 116 16.724 -3.434 -1.752 895 1HB ALA 116 HB1 ALA 116 16.857 -6.445 -1.943 896 2HB ALA 116 HB2 ALA 116 17.919 -5.429 -0.970 897 3HB ALA 116 HB3 ALA 116 17.951 -5.307 -2.730 898 H GLN 117 HN GLN 117 14.375 -6.009 -2.322 899 HA GLN 117 HA GLN 117 13.829 -5.589 -5.034 900 1HB GLN 117 HB2 GLN 117 12.685 -7.036 -2.887 901 2HB GLN 117 HB1 GLN 117 11.397 -6.041 -3.551 902 1HG GLN 117 HG2 GLN 117 11.411 -8.213 -4.596 903 2HG GLN 117 HG1 GLN 117 11.836 -6.968 -5.772 904 1HE2 GLN 117 HE21 GLN 117 12.843 -8.437 -7.106 905 2HE2 GLN 117 HE22 GLN 117 14.389 -9.132 -6.722 906 H MET 118 HN MET 118 11.981 -4.256 -2.292 907 HA MET 118 HA MET 118 10.384 -2.588 -3.771 908 1HB MET 118 HB2 MET 118 11.346 -2.347 -0.938 909 2HB MET 118 HB1 MET 118 10.212 -1.198 -1.640 910 1HG MET 118 HG2 MET 118 9.828 -4.155 -1.265 911 2HG MET 118 HG1 MET 118 8.953 -2.840 -0.477 912 1HE MET 118 HE1 MET 118 7.517 -5.305 -1.934 913 2HE MET 118 HE2 MET 118 6.225 -4.475 -2.804 914 3HE MET 118 HE3 MET 118 6.624 -3.999 -1.152 915 H GLU 119 HN GLU 119 13.559 -1.693 -2.357 916 HA GLU 119 HA GLU 119 13.531 0.994 -3.094 917 1HB GLU 119 HB2 GLU 119 15.821 -0.959 -2.877 918 2HB GLU 119 HB1 GLU 119 16.060 0.755 -3.183 919 1HG GLU 119 HG2 GLU 119 14.625 -0.346 -0.779 920 2HG GLU 119 HG1 GLU 119 16.337 0.074 -0.809 921 H LEU 120 HN LEU 120 15.013 -1.681 -4.923 922 HA LEU 120 HA LEU 120 15.652 -0.139 -7.206 923 1HB LEU 120 HB2 LEU 120 15.318 -3.107 -6.801 924 2HB LEU 120 HB1 LEU 120 15.919 -2.403 -8.285 925 HG LEU 120 HG LEU 120 17.231 -2.195 -5.572 926 1HD1 LEU 120 HD11 LEU 120 18.961 -3.613 -6.562 927 2HD1 LEU 120 HD12 LEU 120 18.004 -3.750 -8.036 928 3HD1 LEU 120 HD13 LEU 120 17.398 -4.426 -6.525 929 1HD2 LEU 120 HD21 LEU 120 18.155 -1.207 -8.269 930 2HD2 LEU 120 HD22 LEU 120 19.088 -1.156 -6.771 931 3HD2 LEU 120 HD23 LEU 120 17.614 -0.200 -6.926 932 H VAL 121 HN VAL 121 12.871 -1.980 -6.282 933 HA VAL 121 HA VAL 121 11.696 -2.137 -8.881 934 HB VAL 121 HB VAL 121 10.937 -2.965 -6.111 935 1HG1 VAL 121 HG11 VAL 121 8.854 -2.085 -7.014 936 2HG1 VAL 121 HG12 VAL 121 8.824 -3.841 -6.849 937 3HG1 VAL 121 HG13 VAL 121 9.045 -3.109 -8.439 938 1HG2 VAL 121 HG21 VAL 121 10.801 -5.168 -7.172 939 2HG2 VAL 121 HG22 VAL 121 12.373 -4.409 -7.423 940 3HG2 VAL 121 HG23 VAL 121 11.187 -4.435 -8.728 941 H MET 122 HN MET 122 11.295 -0.027 -6.067 942 HA MET 122 HA MET 122 9.032 1.384 -7.047 943 1HB MET 122 HB2 MET 122 11.235 2.318 -5.193 944 2HB MET 122 HB1 MET 122 9.775 3.226 -5.526 945 1HG MET 122 HG2 MET 122 9.953 0.560 -4.142 946 2HG MET 122 HG1 MET 122 9.630 2.116 -3.388 947 1HE MET 122 HE1 MET 122 8.151 -1.063 -4.719 948 2HE MET 122 HE2 MET 122 8.258 -0.250 -6.281 949 3HE MET 122 HE3 MET 122 6.680 -0.598 -5.575 950 H LYS 123 HN LYS 123 12.509 1.770 -7.373 951 HA LYS 123 HA LYS 123 12.482 4.171 -8.856 952 1HB LYS 123 HB2 LYS 123 14.478 3.291 -7.716 953 2HB LYS 123 HB1 LYS 123 14.522 1.938 -8.836 954 1HG LYS 123 HG2 LYS 123 15.013 3.409 -10.672 955 2HG LYS 123 HG1 LYS 123 14.814 4.824 -9.637 956 1HD LYS 123 HD2 LYS 123 16.906 2.678 -9.272 957 2HD LYS 123 HD1 LYS 123 17.184 4.256 -10.013 958 1HE LYS 123 HE2 LYS 123 16.460 5.322 -7.897 959 2HE LYS 123 HE1 LYS 123 16.324 3.721 -7.172 960 1HZ LYS 123 HZ1 LYS 123 18.422 4.758 -6.608 961 2HZ LYS 123 HZ2 LYS 123 18.810 4.941 -8.248 962 3HZ LYS 123 HZ3 LYS 123 18.694 3.390 -7.574 963 H ALA 124 HN ALA 124 12.052 0.827 -9.758 964 HA ALA 124 HA ALA 124 12.476 1.092 -12.538 965 1HB ALA 124 HB1 ALA 124 12.491 -1.065 -11.360 966 2HB ALA 124 HB2 ALA 124 11.383 -1.066 -12.733 967 3HB ALA 124 HB3 ALA 124 10.754 -0.917 -11.092 968 H ALA 125 HN ALA 125 9.447 1.041 -10.637 969 HA ALA 125 HA ALA 125 7.854 1.651 -12.952 970 1HB ALA 125 HB1 ALA 125 7.090 1.662 -10.034 971 2HB ALA 125 HB2 ALA 125 6.951 0.291 -11.135 972 3HB ALA 125 HB3 ALA 125 5.972 1.736 -11.397 973 H GLY 126 HN GLY 126 9.728 3.489 -10.841 974 1HA GLY 126 HA2 GLY 126 10.130 5.765 -10.885 975 2HA GLY 126 HA1 GLY 126 8.848 5.931 -12.078 976 H PHE 127 HN PHE 127 8.729 4.571 -8.813 977 HA PHE 127 HA PHE 127 6.412 6.180 -8.196 978 1HB PHE 127 HB2 PHE 127 7.974 4.129 -6.628 979 2HB PHE 127 HB1 PHE 127 6.619 5.019 -5.944 980 HD1 PHE 127 HD1 PHE 127 7.346 1.952 -6.978 981 HD2 PHE 127 HD2 PHE 127 4.633 5.064 -8.006 982 HE1 PHE 127 HE1 PHE 127 5.780 0.284 -7.882 983 HE2 PHE 127 HE2 PHE 127 3.063 3.402 -8.916 984 HZ PHE 127 HZ PHE 127 3.635 1.009 -8.852 985 H LYS 128 HN LYS 128 6.272 7.647 -6.442 986 HA LYS 128 HA LYS 128 8.735 9.173 -6.105 987 1HB LYS 128 HB2 LYS 128 5.900 9.929 -5.368 988 2HB LYS 128 HB1 LYS 128 7.294 11.004 -5.414 989 1HG LYS 128 HG2 LYS 128 7.479 10.645 -7.831 990 2HG LYS 128 HG1 LYS 128 6.059 9.601 -7.774 991 1HD LYS 128 HD2 LYS 128 6.108 12.510 -6.978 992 2HD LYS 128 HD1 LYS 128 5.540 11.893 -8.529 993 1HE LYS 128 HE2 LYS 128 3.850 10.545 -7.304 994 2HE LYS 128 HE1 LYS 128 4.372 11.319 -5.809 995 1HZ LYS 128 HZ1 LYS 128 3.755 13.465 -6.784 996 2HZ LYS 128 HZ2 LYS 128 2.428 12.418 -6.682 997 3HZ LYS 128 HZ3 LYS 128 3.190 12.680 -8.173 998 H GLU 129 HN GLU 129 9.923 8.731 -4.387 999 HA GLU 129 HA GLU 129 8.892 7.313 -2.133 1000 1HB GLU 129 HB2 GLU 129 11.177 6.955 -2.909 1001 2HB GLU 129 HB1 GLU 129 11.575 8.635 -2.580 1002 1HG GLU 129 HG2 GLU 129 10.509 7.285 -0.246 1003 2HG GLU 129 HG1 GLU 129 11.945 6.489 -0.887 1004 H VAL 130 HN VAL 130 8.281 8.017 -0.203 1005 HA VAL 130 HA VAL 130 8.599 10.854 0.456 1006 HB VAL 130 HB VAL 130 5.995 9.286 0.626 1007 1HG1 VAL 130 HG11 VAL 130 6.617 12.071 1.612 1008 2HG1 VAL 130 HG12 VAL 130 6.242 10.664 2.609 1009 3HG1 VAL 130 HG13 VAL 130 5.014 11.338 1.539 1010 1HG2 VAL 130 HG21 VAL 130 6.772 11.725 -0.957 1011 2HG2 VAL 130 HG22 VAL 130 5.148 11.039 -0.854 1012 3HG2 VAL 130 HG23 VAL 130 6.455 10.107 -1.587 1013 H LYS 131 HN LYS 131 10.362 9.876 1.769 1014 HA LYS 131 HA LYS 131 9.792 8.207 3.969 1015 1HB LYS 131 HB2 LYS 131 11.984 10.229 3.530 1016 2HB LYS 131 HB1 LYS 131 11.865 9.279 5.004 1017 1HG LYS 131 HG2 LYS 131 11.918 7.226 3.532 1018 2HG LYS 131 HG1 LYS 131 12.358 8.305 2.207 1019 1HD LYS 131 HD2 LYS 131 14.375 7.393 3.121 1020 2HD LYS 131 HD1 LYS 131 14.287 9.092 3.586 1021 1HE LYS 131 HE2 LYS 131 13.429 8.433 5.791 1022 2HE LYS 131 HE1 LYS 131 13.540 6.738 5.322 1023 1HZ LYS 131 HZ1 LYS 131 15.963 7.114 4.984 1024 2HZ LYS 131 HZ2 LYS 131 15.457 7.266 6.594 1025 3HZ LYS 131 HZ3 LYS 131 15.781 8.652 5.676 1026 H LEU 132 HN LEU 132 9.430 8.673 6.130 1027 HA LEU 132 HA LEU 132 7.656 10.879 6.525 1028 1HB LEU 132 HB2 LEU 132 8.666 8.692 8.328 1029 2HB LEU 132 HB1 LEU 132 7.638 9.980 8.922 1030 HG LEU 132 HG LEU 132 5.896 9.281 7.271 1031 1HD1 LEU 132 HD11 LEU 132 7.715 6.913 6.846 1032 2HD1 LEU 132 HD12 LEU 132 7.334 8.155 5.653 1033 3HD1 LEU 132 HD13 LEU 132 6.068 7.077 6.237 1034 1HD2 LEU 132 HD21 LEU 132 5.198 7.308 8.521 1035 2HD2 LEU 132 HD22 LEU 132 5.805 8.569 9.593 1036 3HD2 LEU 132 HD23 LEU 132 6.813 7.171 9.214 1037 H GLU 133 HN GLU 133 7.848 12.286 8.460 1038 HA GLU 133 HA GLU 133 10.166 13.870 8.277 1039 1HB GLU 133 HB2 GLU 133 8.110 13.811 10.497 1040 2HB GLU 133 HB1 GLU 133 9.216 15.130 10.143 1041 1HG GLU 133 HG2 GLU 133 8.094 15.676 8.151 1042 2HG GLU 133 HG1 GLU 133 7.192 14.160 8.153 1043 H HIS 134 HN HIS 134 11.796 14.277 9.827 1044 HA HIS 134 HA HIS 134 12.597 11.947 11.368 1045 1HB HIS 134 HB2 HIS 134 13.920 14.651 10.980 1046 2HB HIS 134 HB1 HIS 134 14.628 13.320 11.886 1047 HD1 HIS 134 HD1 HIS 134 16.518 12.483 10.477 1048 HD2 HIS 134 HD2 HIS 134 13.104 13.255 8.223 1049 HE1 HIS 134 HE1 HIS 134 17.069 11.756 8.134 1050 HE2 HIS 134 HE2 HIS 134 14.946 12.116 6.816 1051 H HIS 135 HN HIS 135 10.217 12.975 12.219 1052 HA HIS 135 HA HIS 135 10.552 14.902 14.331 1053 1HB HIS 135 HB2 HIS 135 8.509 14.711 12.877 1054 2HB HIS 135 HB1 HIS 135 8.133 13.199 13.694 1055 HD1 HIS 135 HD1 HIS 135 6.483 13.472 15.509 1056 HD2 HIS 135 HD2 HIS 135 8.754 16.916 14.950 1057 HE1 HIS 135 HE1 HIS 135 5.576 15.159 17.139 1058 HE2 HIS 135 HE2 HIS 135 6.906 17.260 16.729 1059 H HIS 136 HN HIS 136 10.955 11.573 14.047 1060 HA HIS 136 HA HIS 136 10.613 11.140 16.929 1061 1HB HIS 136 HB2 HIS 136 11.153 9.221 14.652 1062 2HB HIS 136 HB1 HIS 136 11.179 8.743 16.343 1063 HD1 HIS 136 HD1 HIS 136 9.082 7.671 17.040 1064 HD2 HIS 136 HD2 HIS 136 8.443 10.517 14.073 1065 HE1 HIS 136 HE1 HIS 136 6.609 7.617 16.563 1066 HE2 HIS 136 HE2 HIS 136 6.255 9.282 14.701 1067 H HIS 137 HN HIS 137 12.986 10.141 14.491 1068 HA HIS 137 HA HIS 137 15.146 10.695 16.397 1069 1HB HIS 137 HB2 HIS 137 15.058 8.452 15.309 1070 2HB HIS 137 HB1 HIS 137 15.214 9.229 13.741 1071 HD1 HIS 137 HD1 HIS 137 17.173 8.047 16.651 1072 HD2 HIS 137 HD2 HIS 137 17.800 10.305 13.211 1073 HE1 HIS 137 HE1 HIS 137 19.673 8.181 16.367 1074 HE2 HIS 137 HE2 HIS 137 20.017 9.414 14.194 1075 H HIS 138 HN HIS 138 15.450 12.876 16.270 1076 HA HIS 138 HA HIS 138 15.227 14.261 13.748 1077 1HB HIS 138 HB2 HIS 138 15.772 16.303 15.133 1078 2HB HIS 138 HB1 HIS 138 14.320 15.431 15.600 1079 HD1 HIS 138 HD1 HIS 138 14.138 14.729 17.984 1080 HD2 HIS 138 HD2 HIS 138 18.016 15.839 16.952 1081 HE1 HIS 138 HE1 HIS 138 15.438 14.755 20.138 1082 HE2 HIS 138 HE2 HIS 138 17.733 15.581 19.511 1083 H HIS 139 HN HIS 139 17.159 12.574 13.316 1084 HA HIS 139 HA HIS 139 19.333 14.206 12.541 1085 1HB HIS 139 HB2 HIS 139 19.899 13.863 14.971 1086 2HB HIS 139 HB1 HIS 139 19.980 12.134 14.661 1087 HD1 HIS 139 HD1 HIS 139 21.749 15.359 13.753 1088 HD2 HIS 139 HD2 HIS 139 22.386 11.244 13.666 1089 HE1 HIS 139 HE1 HIS 139 24.166 15.055 13.134 1090 HE2 HIS 139 HE2 HIS 139 24.545 12.567 13.115 Start of MODEL 13 1 1H MET 1 HT1 MET 1 19.197 -4.044 19.981 2 2H MET 1 HT2 MET 1 19.352 -3.633 21.618 3 3H MET 1 HT3 MET 1 20.673 -4.287 20.776 4 HA MET 1 HA MET 1 19.393 -1.684 20.197 5 1HB MET 1 HB2 MET 1 20.673 -1.797 22.355 6 2HB MET 1 HB1 MET 1 22.098 -2.254 21.435 7 1HG MET 1 HG2 MET 1 20.609 0.305 20.932 8 2HG MET 1 HG1 MET 1 21.887 0.174 22.136 9 1HE MET 1 HE1 MET 1 23.234 2.137 20.983 10 2HE MET 1 HE2 MET 1 21.953 2.306 19.783 11 3HE MET 1 HE3 MET 1 23.635 2.177 19.267 12 H GLY 2 HN GLY 2 19.895 -0.853 18.268 13 1HA GLY 2 HA2 GLY 2 21.707 -0.527 16.588 14 2HA GLY 2 HA1 GLY 2 21.965 -2.264 16.690 15 H ASP 3 HN ASP 3 19.857 -3.548 16.319 16 HA ASP 3 HA ASP 3 18.786 -2.709 13.778 17 1HB ASP 3 HB2 ASP 3 18.570 -5.194 15.429 18 2HB ASP 3 HB1 ASP 3 17.385 -4.899 14.161 19 H LYS 4 HN LYS 4 17.477 -0.977 14.103 20 HA LYS 4 HA LYS 4 15.013 -1.544 15.612 21 1HB LYS 4 HB2 LYS 4 16.341 0.402 16.481 22 2HB LYS 4 HB1 LYS 4 16.119 1.188 14.923 23 1HG LYS 4 HG2 LYS 4 13.653 1.031 15.281 24 2HG LYS 4 HG1 LYS 4 13.987 0.452 16.915 25 1HD LYS 4 HD2 LYS 4 15.247 2.543 17.345 26 2HD LYS 4 HD1 LYS 4 14.779 3.117 15.741 27 1HE LYS 4 HE2 LYS 4 12.386 2.796 16.438 28 2HE LYS 4 HE1 LYS 4 12.974 2.492 18.071 29 1HZ LYS 4 HZ1 LYS 4 12.340 4.772 17.880 30 2HZ LYS 4 HZ2 LYS 4 13.300 4.988 16.502 31 3HZ LYS 4 HZ3 LYS 4 14.032 4.712 18.006 32 H GLU 5 HN GLU 5 13.229 -1.696 14.453 33 HA GLU 5 HA GLU 5 13.115 -2.011 11.771 34 1HB GLU 5 HB2 GLU 5 10.948 -1.025 13.617 35 2HB GLU 5 HB1 GLU 5 10.656 -1.503 11.955 36 1HG GLU 5 HG2 GLU 5 10.104 -3.413 13.091 37 2HG GLU 5 HG1 GLU 5 11.779 -3.728 12.651 38 H GLU 6 HN GLU 6 13.085 -0.854 10.007 39 HA GLU 6 HA GLU 6 13.496 2.039 10.257 40 1HB GLU 6 HB2 GLU 6 14.152 0.231 7.922 41 2HB GLU 6 HB1 GLU 6 14.749 1.861 8.209 42 1HG GLU 6 HG2 GLU 6 16.128 1.147 9.987 43 2HG GLU 6 HG1 GLU 6 15.339 -0.426 10.066 44 H SER 7 HN SER 7 12.085 3.454 9.323 45 HA SER 7 HA SER 7 9.820 2.262 7.872 46 1HB SER 7 HB2 SER 7 9.970 4.945 9.258 47 2HB SER 7 HB1 SER 7 8.522 4.164 8.621 48 HG SER 7 HG SER 7 9.913 2.575 10.350 49 H LYS 8 HN LYS 8 9.427 2.753 5.808 50 HA LYS 8 HA LYS 8 10.519 5.235 4.662 51 1HB LYS 8 HB2 LYS 8 12.002 3.226 4.150 52 2HB LYS 8 HB1 LYS 8 10.652 2.568 3.241 53 1HG LYS 8 HG2 LYS 8 10.693 4.686 1.875 54 2HG LYS 8 HG1 LYS 8 12.224 5.062 2.667 55 1HD LYS 8 HD2 LYS 8 13.132 2.913 1.856 56 2HD LYS 8 HD1 LYS 8 11.615 2.623 1.001 57 1HE LYS 8 HE2 LYS 8 12.079 4.927 -0.085 58 2HE LYS 8 HE1 LYS 8 13.733 4.666 0.461 59 1HZ LYS 8 HZ1 LYS 8 12.161 2.974 -1.400 60 2HZ LYS 8 HZ2 LYS 8 13.663 2.503 -0.755 61 3HZ LYS 8 HZ3 LYS 8 13.556 3.870 -1.753 62 H LYS 9 HN LYS 9 8.966 6.296 3.550 63 HA LYS 9 HA LYS 9 6.614 4.756 2.671 64 1HB LYS 9 HB2 LYS 9 5.919 6.209 4.442 65 2HB LYS 9 HB1 LYS 9 6.786 7.571 3.744 66 1HG LYS 9 HG2 LYS 9 5.240 7.677 1.903 67 2HG LYS 9 HG1 LYS 9 4.431 6.210 2.447 68 1HD LYS 9 HD2 LYS 9 3.171 8.239 3.025 69 2HD LYS 9 HD1 LYS 9 3.678 7.339 4.455 70 1HE LYS 9 HE2 LYS 9 5.508 8.891 4.817 71 2HE LYS 9 HE1 LYS 9 5.095 9.757 3.336 72 1HZ LYS 9 HZ1 LYS 9 3.199 9.453 5.596 73 2HZ LYS 9 HZ2 LYS 9 3.088 10.516 4.274 74 3HZ LYS 9 HZ3 LYS 9 4.269 10.764 5.467 75 H PHE 10 HN PHE 10 5.879 5.031 0.616 76 HA PHE 10 HA PHE 10 6.994 7.272 -0.927 77 1HB PHE 10 HB2 PHE 10 7.324 5.961 -2.853 78 2HB PHE 10 HB1 PHE 10 7.937 4.946 -1.555 79 HD1 PHE 10 HD1 PHE 10 6.577 3.025 -0.761 80 HD2 PHE 10 HD2 PHE 10 5.492 5.302 -4.183 81 HE1 PHE 10 HE1 PHE 10 5.100 1.203 -1.500 82 HE2 PHE 10 HE2 PHE 10 4.005 3.490 -4.925 83 HZ PHE 10 HZ PHE 10 3.806 1.437 -3.585 84 H SER 11 HN SER 11 5.525 8.195 -2.432 85 HA SER 11 HA SER 11 2.785 7.184 -2.305 86 1HB SER 11 HB2 SER 11 2.881 8.896 -0.573 87 2HB SER 11 HB1 SER 11 3.554 10.050 -1.710 88 HG SER 11 HG SER 11 1.381 10.453 -1.598 89 H ALA 12 HN ALA 12 2.158 6.853 -4.288 90 HA ALA 12 HA ALA 12 3.018 8.742 -6.380 91 1HB ALA 12 HB1 ALA 12 4.175 6.588 -6.622 92 2HB ALA 12 HB2 ALA 12 3.082 6.899 -7.970 93 3HB ALA 12 HB3 ALA 12 2.617 5.766 -6.702 94 H ASN 13 HN ASN 13 1.319 9.898 -6.956 95 HA ASN 13 HA ASN 13 -1.365 8.809 -6.821 96 1HB ASN 13 HB2 ASN 13 -0.830 11.166 -6.124 97 2HB ASN 13 HB1 ASN 13 -0.467 11.529 -7.807 98 1HD2 ASN 13 HD21 ASN 13 -2.472 12.659 -6.028 99 2HD2 ASN 13 HD22 ASN 13 -3.995 12.417 -6.806 100 H LEU 14 HN LEU 14 -1.964 7.521 -8.424 101 HA LEU 14 HA LEU 14 -1.291 8.334 -11.164 102 1HB LEU 14 HB2 LEU 14 -1.284 5.829 -11.679 103 2HB LEU 14 HB1 LEU 14 0.105 6.498 -10.851 104 HG LEU 14 HG LEU 14 -1.286 5.681 -8.714 105 1HD1 LEU 14 HD11 LEU 14 -3.160 4.809 -9.993 106 2HD1 LEU 14 HD12 LEU 14 -2.306 3.506 -9.167 107 3HD1 LEU 14 HD13 LEU 14 -2.071 3.758 -10.897 108 1HD2 LEU 14 HD21 LEU 14 0.456 3.928 -10.443 109 2HD2 LEU 14 HD22 LEU 14 0.105 3.668 -8.734 110 3HD2 LEU 14 HD23 LEU 14 1.015 5.091 -9.240 111 H ASN 15 HN ASN 15 -2.974 8.737 -12.365 112 HA ASN 15 HA ASN 15 -5.029 8.664 -13.328 113 1HB ASN 15 HB2 ASN 15 -4.823 6.222 -13.357 114 2HB ASN 15 HB1 ASN 15 -5.459 6.141 -11.717 115 1HD2 ASN 15 HD21 ASN 15 -6.203 6.656 -15.058 116 2HD2 ASN 15 HD22 ASN 15 -7.924 6.563 -14.903 117 H GLY 16 HN GLY 16 -4.980 8.105 -9.868 118 1HA GLY 16 HA2 GLY 16 -6.399 10.207 -8.965 119 2HA GLY 16 HA1 GLY 16 -7.668 9.112 -9.495 120 H THR 17 HN THR 17 -5.649 6.877 -8.741 121 HA THR 17 HA THR 17 -6.406 6.687 -5.956 122 HB THR 17 HB THR 17 -4.842 4.520 -6.344 123 HG1 THR 17 HG1 THR 17 -5.023 3.822 -8.473 124 1HG2 THR 17 HG21 THR 17 -7.705 4.801 -7.259 125 2HG2 THR 17 HG22 THR 17 -7.170 4.487 -5.608 126 3HG2 THR 17 HG23 THR 17 -6.896 3.285 -6.870 127 H GLU 18 HN GLU 18 -5.238 7.824 -4.568 128 HA GLU 18 HA GLU 18 -2.426 8.356 -5.070 129 1HB GLU 18 HB2 GLU 18 -3.867 9.174 -2.575 130 2HB GLU 18 HB1 GLU 18 -2.591 10.015 -3.444 131 1HG GLU 18 HG2 GLU 18 -4.157 10.558 -5.231 132 2HG GLU 18 HG1 GLU 18 -5.433 9.694 -4.370 133 H ILE 19 HN ILE 19 -1.304 6.496 -4.732 134 HA ILE 19 HA ILE 19 -1.877 4.944 -2.324 135 HB ILE 19 HB ILE 19 -0.106 4.263 -4.677 136 1HG1 ILE 19 HG12 ILE 19 -2.872 3.296 -3.924 137 2HG1 ILE 19 HG11 ILE 19 -2.504 4.403 -5.239 138 1HG2 ILE 19 HG21 ILE 19 -1.021 2.568 -2.351 139 2HG2 ILE 19 HG22 ILE 19 0.622 3.148 -2.635 140 3HG2 ILE 19 HG23 ILE 19 -0.111 1.991 -3.746 141 1HD1 ILE 19 HD11 ILE 19 -1.549 1.558 -5.050 142 2HD1 ILE 19 HD12 ILE 19 -1.298 2.667 -6.403 143 3HD1 ILE 19 HD13 ILE 19 -2.926 2.116 -5.998 144 H ALA 20 HN ALA 20 -0.870 5.703 -0.601 145 HA ALA 20 HA ALA 20 2.028 6.195 -0.813 146 1HB ALA 20 HB1 ALA 20 1.446 7.350 1.536 147 2HB ALA 20 HB2 ALA 20 -0.090 7.595 0.705 148 3HB ALA 20 HB3 ALA 20 1.395 8.211 0.001 149 H ILE 21 HN ILE 21 2.974 4.354 -0.260 150 HA ILE 21 HA ILE 21 1.802 2.750 1.895 151 HB ILE 21 HB ILE 21 3.889 1.997 -0.160 152 1HG1 ILE 21 HG12 ILE 21 1.008 1.115 0.148 153 2HG1 ILE 21 HG11 ILE 21 1.595 2.257 -1.056 154 1HG2 ILE 21 HG21 ILE 21 4.268 0.816 1.932 155 2HG2 ILE 21 HG22 ILE 21 3.646 -0.289 0.707 156 3HG2 ILE 21 HG23 ILE 21 2.578 0.313 1.975 157 1HD1 ILE 21 HD11 ILE 21 1.269 0.066 -2.028 158 2HD1 ILE 21 HD12 ILE 21 2.362 -0.646 -0.840 159 3HD1 ILE 21 HD13 ILE 21 2.980 0.494 -2.038 160 H THR 22 HN THR 22 2.579 3.195 3.818 161 HA THR 22 HA THR 22 5.373 3.960 4.166 162 HB THR 22 HB THR 22 3.249 3.610 6.305 163 HG1 THR 22 HG1 THR 22 2.497 5.262 5.016 164 1HG2 THR 22 HG21 THR 22 5.859 5.136 6.298 165 2HG2 THR 22 HG22 THR 22 5.564 3.601 7.115 166 3HG2 THR 22 HG23 THR 22 4.711 5.054 7.635 167 H TYR 23 HN TYR 23 6.539 2.072 3.783 168 HA TYR 23 HA TYR 23 5.678 -0.278 5.300 169 1HB TYR 23 HB2 TYR 23 7.106 -1.622 3.789 170 2HB TYR 23 HB1 TYR 23 5.808 -0.781 2.961 171 HD1 TYR 23 HD1 TYR 23 6.316 1.129 1.480 172 HD2 TYR 23 HD2 TYR 23 9.407 -1.170 3.291 173 HE1 TYR 23 HE1 TYR 23 7.928 2.017 -0.148 174 HE2 TYR 23 HE2 TYR 23 11.028 -0.271 1.668 175 HH TYR 23 HH TYR 23 10.177 2.296 -0.574 176 H VAL 24 HN VAL 24 6.889 -1.236 6.740 177 HA VAL 24 HA VAL 24 9.363 0.129 7.532 178 HB VAL 24 HB VAL 24 7.479 -1.596 9.156 179 1HG1 VAL 24 HG11 VAL 24 10.014 -0.191 9.989 180 2HG1 VAL 24 HG12 VAL 24 9.763 -1.934 9.900 181 3HG1 VAL 24 HG13 VAL 24 8.876 -0.974 11.084 182 1HG2 VAL 24 HG21 VAL 24 8.092 1.351 9.313 183 2HG2 VAL 24 HG22 VAL 24 7.014 0.460 10.387 184 3HG2 VAL 24 HG23 VAL 24 6.611 0.636 8.679 185 H TYR 25 HN TYR 25 11.158 -0.884 7.054 186 HA TYR 25 HA TYR 25 11.107 -3.814 6.806 187 1HB TYR 25 HB2 TYR 25 13.018 -3.594 5.273 188 2HB TYR 25 HB1 TYR 25 11.622 -2.702 4.682 189 HD1 TYR 25 HD1 TYR 25 15.079 -2.518 5.626 190 HD2 TYR 25 HD2 TYR 25 11.581 -0.182 4.992 191 HE1 TYR 25 HE1 TYR 25 16.471 -0.503 5.416 192 HE2 TYR 25 HE2 TYR 25 12.963 1.841 4.783 193 HH TYR 25 HH TYR 25 16.441 1.679 4.617 194 H LYS 26 HN LYS 26 13.275 -4.818 7.300 195 HA LYS 26 HA LYS 26 14.831 -3.319 9.261 196 1HB LYS 26 HB2 LYS 26 12.919 -4.750 10.321 197 2HB LYS 26 HB1 LYS 26 13.955 -6.113 9.927 198 1HG LYS 26 HG2 LYS 26 15.738 -5.162 11.290 199 2HG LYS 26 HG1 LYS 26 14.708 -3.781 11.676 200 1HD LYS 26 HD2 LYS 26 13.049 -5.402 12.623 201 2HD LYS 26 HD1 LYS 26 14.257 -6.669 12.409 202 1HE LYS 26 HE2 LYS 26 15.800 -5.355 13.843 203 2HE LYS 26 HE1 LYS 26 14.489 -4.207 14.128 204 1HZ LYS 26 HZ1 LYS 26 14.734 -5.889 15.899 205 2HZ LYS 26 HZ2 LYS 26 14.351 -7.102 14.780 206 3HZ LYS 26 HZ3 LYS 26 13.201 -5.917 15.171 207 H GLY 27 HN GLY 27 16.587 -3.322 7.921 208 1HA GLY 27 HA2 GLY 27 18.544 -4.286 7.089 209 2HA GLY 27 HA1 GLY 27 17.917 -5.873 7.513 210 H ASP 28 HN ASP 28 17.390 -7.142 5.854 211 HA ASP 28 HA ASP 28 17.009 -5.852 3.244 212 1HB ASP 28 HB2 ASP 28 17.689 -7.918 2.225 213 2HB ASP 28 HB1 ASP 28 18.853 -7.518 3.485 214 H LYS 29 HN LYS 29 15.157 -7.222 5.671 215 HA LYS 29 HA LYS 29 13.121 -8.069 3.717 216 1HB LYS 29 HB2 LYS 29 13.829 -9.743 5.524 217 2HB LYS 29 HB1 LYS 29 13.023 -8.681 6.669 218 1HG LYS 29 HG2 LYS 29 10.950 -8.888 5.295 219 2HG LYS 29 HG1 LYS 29 11.773 -10.112 4.336 220 1HD LYS 29 HD2 LYS 29 12.003 -11.528 6.293 221 2HD LYS 29 HD1 LYS 29 11.274 -10.280 7.308 222 1HE LYS 29 HE2 LYS 29 9.237 -10.423 5.830 223 2HE LYS 29 HE1 LYS 29 9.968 -11.841 5.084 224 1HZ LYS 29 HZ1 LYS 29 9.087 -11.527 7.904 225 2HZ LYS 29 HZ2 LYS 29 10.048 -12.815 7.375 226 3HZ LYS 29 HZ3 LYS 29 8.495 -12.610 6.739 227 H VAL 30 HN VAL 30 11.308 -6.912 3.513 228 HA VAL 30 HA VAL 30 10.719 -4.731 5.309 229 HB VAL 30 HB VAL 30 8.925 -5.902 3.167 230 1HG1 VAL 30 HG11 VAL 30 7.881 -3.690 3.181 231 2HG1 VAL 30 HG12 VAL 30 8.972 -3.183 4.471 232 3HG1 VAL 30 HG13 VAL 30 7.789 -4.457 4.767 233 1HG2 VAL 30 HG21 VAL 30 11.053 -5.267 2.169 234 2HG2 VAL 30 HG22 VAL 30 10.945 -3.674 2.917 235 3HG2 VAL 30 HG23 VAL 30 9.780 -4.149 1.681 236 H LEU 31 HN LEU 31 9.496 -4.923 7.135 237 HA LEU 31 HA LEU 31 8.425 -7.614 7.632 238 1HB LEU 31 HB2 LEU 31 9.580 -5.561 9.496 239 2HB LEU 31 HB1 LEU 31 8.703 -6.971 10.066 240 HG LEU 31 HG LEU 31 11.196 -7.064 8.370 241 1HD1 LEU 31 HD11 LEU 31 12.316 -7.871 10.356 242 2HD1 LEU 31 HD12 LEU 31 10.834 -7.672 11.296 243 3HD1 LEU 31 HD13 LEU 31 11.655 -6.258 10.633 244 1HD2 LEU 31 HD21 LEU 31 9.601 -9.233 9.718 245 2HD2 LEU 31 HD22 LEU 31 11.156 -9.455 8.911 246 3HD2 LEU 31 HD23 LEU 31 9.743 -8.955 7.981 247 H LYS 32 HN LYS 32 7.467 -4.369 7.280 248 HA LYS 32 HA LYS 32 4.742 -5.223 7.799 249 1HB LYS 32 HB2 LYS 32 5.926 -4.018 9.880 250 2HB LYS 32 HB1 LYS 32 5.439 -2.581 8.987 251 1HG LYS 32 HG2 LYS 32 3.115 -3.546 8.925 252 2HG LYS 32 HG1 LYS 32 3.686 -4.774 10.062 253 1HD LYS 32 HD2 LYS 32 2.586 -2.945 11.242 254 2HD LYS 32 HD1 LYS 32 4.303 -3.006 11.648 255 1HE LYS 32 HE2 LYS 32 4.757 -1.182 10.117 256 2HE LYS 32 HE1 LYS 32 3.072 -1.162 9.600 257 1HZ LYS 32 HZ1 LYS 32 3.625 0.581 11.235 258 2HZ LYS 32 HZ2 LYS 32 3.974 -0.625 12.378 259 3HZ LYS 32 HZ3 LYS 32 2.399 -0.463 11.771 260 H GLN 33 HN GLN 33 3.275 -4.187 6.494 261 HA GLN 33 HA GLN 33 4.329 -2.037 4.784 262 1HB GLN 33 HB2 GLN 33 4.311 -4.260 3.621 263 2HB GLN 33 HB1 GLN 33 2.568 -4.306 3.839 264 1HG GLN 33 HG2 GLN 33 2.421 -2.182 2.546 265 2HG GLN 33 HG1 GLN 33 4.145 -2.327 2.218 266 1HE2 GLN 33 HE21 GLN 33 3.911 -5.286 2.056 267 2HE2 GLN 33 HE22 GLN 33 3.207 -5.592 0.509 268 H SER 34 HN SER 34 3.195 -0.314 5.516 269 HA SER 34 HA SER 34 0.317 -0.599 5.916 270 1HB SER 34 HB2 SER 34 1.727 0.689 7.567 271 2HB SER 34 HB1 SER 34 2.019 1.879 6.298 272 HG SER 34 HG SER 34 -0.631 1.196 6.796 273 H SER 35 HN SER 35 -0.592 -0.754 3.932 274 HA SER 35 HA SER 35 0.293 1.075 1.839 275 1HB SER 35 HB2 SER 35 -1.211 -0.452 0.410 276 2HB SER 35 HB1 SER 35 0.278 -1.148 1.051 277 HG SER 35 HG SER 35 -2.330 -1.793 1.581 278 H GLU 36 HN GLU 36 -0.679 2.970 2.312 279 HA GLU 36 HA GLU 36 -3.555 3.027 2.815 280 1HB GLU 36 HB2 GLU 36 -2.235 4.312 4.339 281 2HB GLU 36 HB1 GLU 36 -1.362 5.076 3.027 282 1HG GLU 36 HG2 GLU 36 -3.677 6.004 2.351 283 2HG GLU 36 HG1 GLU 36 -4.131 5.585 4.003 284 H THR 37 HN THR 37 -4.790 3.087 1.047 285 HA THR 37 HA THR 37 -3.815 4.598 -1.276 286 HB THR 37 HB THR 37 -5.938 2.445 -1.220 287 HG1 THR 37 HG1 THR 37 -4.275 1.147 -1.233 288 1HG2 THR 37 HG21 THR 37 -6.273 4.001 -3.043 289 2HG2 THR 37 HG22 THR 37 -5.645 2.479 -3.675 290 3HG2 THR 37 HG23 THR 37 -4.577 3.870 -3.501 291 H LYS 38 HN LYS 38 -4.639 6.557 -1.398 292 HA LYS 38 HA LYS 38 -7.287 7.106 -0.301 293 1HB LYS 38 HB2 LYS 38 -5.484 8.585 0.389 294 2HB LYS 38 HB1 LYS 38 -5.100 8.939 -1.284 295 1HG LYS 38 HG2 LYS 38 -6.986 10.269 -1.566 296 2HG LYS 38 HG1 LYS 38 -7.788 9.596 -0.143 297 1HD LYS 38 HD2 LYS 38 -6.260 10.704 1.322 298 2HD LYS 38 HD1 LYS 38 -5.244 11.210 -0.023 299 1HE LYS 38 HE2 LYS 38 -8.108 12.070 0.214 300 2HE LYS 38 HE1 LYS 38 -6.808 12.942 1.024 301 1HZ LYS 38 HZ1 LYS 38 -6.757 12.386 -1.888 302 2HZ LYS 38 HZ2 LYS 38 -5.831 13.506 -1.013 303 3HZ LYS 38 HZ3 LYS 38 -7.489 13.773 -1.238 304 H ILE 39 HN ILE 39 -8.788 6.446 -1.719 305 HA ILE 39 HA ILE 39 -8.392 6.979 -4.563 306 HB ILE 39 HB ILE 39 -10.693 5.482 -3.303 307 1HG1 ILE 39 HG12 ILE 39 -9.246 3.506 -4.407 308 2HG1 ILE 39 HG11 ILE 39 -7.932 4.585 -3.947 309 1HG2 ILE 39 HG21 ILE 39 -9.612 5.510 -6.116 310 2HG2 ILE 39 HG22 ILE 39 -11.094 6.289 -5.562 311 3HG2 ILE 39 HG23 ILE 39 -10.961 4.531 -5.541 312 1HD1 ILE 39 HD11 ILE 39 -8.692 4.542 -1.638 313 2HD1 ILE 39 HD12 ILE 39 -8.377 2.913 -2.236 314 3HD1 ILE 39 HD13 ILE 39 -10.036 3.494 -2.093 315 H GLN 40 HN GLN 40 -9.083 8.900 -5.266 316 HA GLN 40 HA GLN 40 -11.149 10.429 -4.062 317 1HB GLN 40 HB2 GLN 40 -10.083 10.512 -6.898 318 2HB GLN 40 HB1 GLN 40 -11.096 11.741 -6.157 319 1HG GLN 40 HG2 GLN 40 -8.338 10.983 -5.215 320 2HG GLN 40 HG1 GLN 40 -8.716 12.361 -6.246 321 1HE2 GLN 40 HE21 GLN 40 -8.686 11.118 -3.039 322 2HE2 GLN 40 HE22 GLN 40 -9.229 12.560 -2.250 323 H PHE 41 HN PHE 41 -13.356 10.663 -4.713 324 HA PHE 41 HA PHE 41 -14.595 8.297 -5.624 325 1HB PHE 41 HB2 PHE 41 -15.589 11.086 -5.158 326 2HB PHE 41 HB1 PHE 41 -16.630 9.897 -5.932 327 HD1 PHE 41 HD1 PHE 41 -17.802 10.857 -3.663 328 HD2 PHE 41 HD2 PHE 41 -14.645 8.012 -3.864 329 HE1 PHE 41 HE1 PHE 41 -18.455 9.981 -1.460 330 HE2 PHE 41 HE2 PHE 41 -15.292 7.133 -1.659 331 HZ PHE 41 HZ PHE 41 -17.200 8.117 -0.454 332 H ALA 42 HN ALA 42 -13.198 10.918 -7.312 333 HA ALA 42 HA ALA 42 -14.685 10.658 -9.734 334 1HB ALA 42 HB1 ALA 42 -11.990 11.928 -9.275 335 2HB ALA 42 HB2 ALA 42 -13.548 12.739 -9.117 336 3HB ALA 42 HB3 ALA 42 -13.019 12.144 -10.690 337 H SER 43 HN SER 43 -11.873 9.077 -8.399 338 HA SER 43 HA SER 43 -11.118 8.012 -10.997 339 1HB SER 43 HB2 SER 43 -9.266 6.912 -9.612 340 2HB SER 43 HB1 SER 43 -9.242 8.672 -9.726 341 HG SER 43 HG SER 43 -8.954 8.135 -7.591 342 H ILE 44 HN ILE 44 -12.621 6.956 -8.009 343 HA ILE 44 HA ILE 44 -12.625 4.184 -8.807 344 HB ILE 44 HB ILE 44 -12.558 4.658 -6.441 345 1HG1 ILE 44 HG12 ILE 44 -15.233 3.487 -7.221 346 2HG1 ILE 44 HG11 ILE 44 -13.709 2.612 -7.111 347 1HG2 ILE 44 HG21 ILE 44 -13.674 6.815 -6.441 348 2HG2 ILE 44 HG22 ILE 44 -14.407 5.733 -5.257 349 3HG2 ILE 44 HG23 ILE 44 -15.215 6.032 -6.797 350 1HD1 ILE 44 HD11 ILE 44 -15.097 2.190 -5.171 351 2HD1 ILE 44 HD12 ILE 44 -15.170 3.917 -4.825 352 3HD1 ILE 44 HD13 ILE 44 -13.634 3.058 -4.707 353 H GLY 45 HN GLY 45 -14.760 6.930 -9.088 354 1HA GLY 45 HA2 GLY 45 -16.533 7.114 -10.617 355 2HA GLY 45 HA1 GLY 45 -16.527 5.363 -10.799 356 H ALA 46 HN ALA 46 -16.490 6.835 -7.662 357 HA ALA 46 HA ALA 46 -19.078 5.629 -7.096 358 1HB ALA 46 HB1 ALA 46 -17.215 5.216 -5.548 359 2HB ALA 46 HB2 ALA 46 -18.568 6.027 -4.761 360 3HB ALA 46 HB3 ALA 46 -17.129 6.945 -5.208 361 H THR 47 HN THR 47 -20.877 6.740 -6.625 362 HA THR 47 HA THR 47 -20.762 9.638 -7.125 363 HB THR 47 HB THR 47 -23.283 7.991 -7.100 364 HG1 THR 47 HG1 THR 47 -21.958 6.900 -8.554 365 1HG2 THR 47 HG21 THR 47 -22.439 10.454 -8.633 366 2HG2 THR 47 HG22 THR 47 -23.498 10.428 -7.223 367 3HG2 THR 47 HG23 THR 47 -24.016 9.671 -8.729 368 H THR 48 HN THR 48 -21.078 7.420 -4.630 369 HA THR 48 HA THR 48 -21.895 9.443 -2.728 370 HB THR 48 HB THR 48 -23.560 6.915 -2.945 371 HG1 THR 48 HG1 THR 48 -23.775 9.332 -4.248 372 1HG2 THR 48 HG21 THR 48 -23.960 9.442 -1.338 373 2HG2 THR 48 HG22 THR 48 -23.447 7.882 -0.696 374 3HG2 THR 48 HG23 THR 48 -25.059 8.063 -1.386 375 H LYS 49 HN LYS 49 -21.559 8.695 -0.497 376 HA LYS 49 HA LYS 49 -19.284 7.176 -0.056 377 1HB LYS 49 HB2 LYS 49 -20.050 8.663 1.643 378 2HB LYS 49 HB1 LYS 49 -21.599 7.840 1.759 379 1HG LYS 49 HG2 LYS 49 -20.520 5.892 2.720 380 2HG LYS 49 HG1 LYS 49 -18.943 6.662 2.546 381 1HD LYS 49 HD2 LYS 49 -19.741 6.858 4.832 382 2HD LYS 49 HD1 LYS 49 -19.654 8.446 4.071 383 1HE LYS 49 HE2 LYS 49 -22.059 8.386 3.660 384 2HE LYS 49 HE1 LYS 49 -22.153 6.786 4.395 385 1HZ LYS 49 HZ1 LYS 49 -21.458 7.714 6.489 386 2HZ LYS 49 HZ2 LYS 49 -22.810 8.568 5.923 387 3HZ LYS 49 HZ3 LYS 49 -21.259 9.250 5.795 388 H GLU 50 HN GLU 50 -22.652 6.127 0.558 389 HA GLU 50 HA GLU 50 -22.017 3.434 1.077 390 1HB GLU 50 HB2 GLU 50 -24.163 4.532 1.680 391 2HB GLU 50 HB1 GLU 50 -24.602 4.562 -0.019 392 1HG GLU 50 HG2 GLU 50 -23.880 1.902 0.880 393 2HG GLU 50 HG1 GLU 50 -25.213 2.589 1.806 394 H ASP 51 HN ASP 51 -22.589 5.171 -1.882 395 HA ASP 51 HA ASP 51 -22.861 2.982 -3.635 396 1HB ASP 51 HB2 ASP 51 -23.469 5.264 -4.273 397 2HB ASP 51 HB1 ASP 51 -21.786 5.762 -4.145 398 H ALA 52 HN ALA 52 -20.045 4.817 -2.536 399 HA ALA 52 HA ALA 52 -18.099 3.390 -4.000 400 1HB ALA 52 HB1 ALA 52 -16.494 4.298 -2.384 401 2HB ALA 52 HB2 ALA 52 -17.829 4.818 -1.356 402 3HB ALA 52 HB3 ALA 52 -17.614 5.538 -2.952 403 H ALA 53 HN ALA 53 -19.589 2.891 -0.852 404 HA ALA 53 HA ALA 53 -17.973 0.819 0.087 405 1HB ALA 53 HB1 ALA 53 -19.824 0.234 1.555 406 2HB ALA 53 HB2 ALA 53 -20.920 1.223 0.587 407 3HB ALA 53 HB3 ALA 53 -19.607 1.983 1.487 408 H LYS 54 HN LYS 54 -20.857 0.711 -1.994 409 HA LYS 54 HA LYS 54 -21.136 -2.070 -2.120 410 1HB LYS 54 HB2 LYS 54 -21.828 0.078 -4.114 411 2HB LYS 54 HB1 LYS 54 -22.198 -1.616 -4.391 412 1HG LYS 54 HG2 LYS 54 -23.452 -1.546 -2.183 413 2HG LYS 54 HG1 LYS 54 -23.302 0.211 -2.283 414 1HD LYS 54 HD2 LYS 54 -24.492 -1.502 -4.463 415 2HD LYS 54 HD1 LYS 54 -25.447 -0.732 -3.197 416 1HE LYS 54 HE2 LYS 54 -23.580 0.922 -4.837 417 2HE LYS 54 HE1 LYS 54 -25.127 0.431 -5.523 418 1HZ LYS 54 HZ1 LYS 54 -26.289 1.554 -3.832 419 2HZ LYS 54 HZ2 LYS 54 -25.097 2.635 -4.356 420 3HZ LYS 54 HZ3 LYS 54 -24.897 1.790 -2.893 421 H THR 55 HN THR 55 -18.724 -0.055 -3.488 422 HA THR 55 HA THR 55 -17.928 -2.107 -5.415 423 HB THR 55 HB THR 55 -16.827 0.684 -5.028 424 HG1 THR 55 HG1 THR 55 -18.861 0.960 -5.811 425 1HG2 THR 55 HG21 THR 55 -15.859 0.359 -7.267 426 2HG2 THR 55 HG22 THR 55 -16.461 -1.300 -7.281 427 3HG2 THR 55 HG23 THR 55 -15.232 -0.817 -6.112 428 H LEU 56 HN LEU 56 -16.877 -0.531 -2.461 429 HA LEU 56 HA LEU 56 -14.226 -1.691 -2.621 430 1HB LEU 56 HB2 LEU 56 -15.535 0.052 -0.541 431 2HB LEU 56 HB1 LEU 56 -13.875 -0.506 -0.449 432 HG LEU 56 HG LEU 56 -15.010 1.260 -2.622 433 1HD1 LEU 56 HD11 LEU 56 -14.824 2.407 -0.474 434 2HD1 LEU 56 HD12 LEU 56 -13.636 3.009 -1.632 435 3HD1 LEU 56 HD13 LEU 56 -13.137 1.906 -0.350 436 1HD2 LEU 56 HD21 LEU 56 -12.185 0.330 -2.113 437 2HD2 LEU 56 HD22 LEU 56 -12.684 1.494 -3.340 438 3HD2 LEU 56 HD23 LEU 56 -13.225 -0.181 -3.444 439 H GLU 57 HN GLU 57 -17.204 -2.252 -0.853 440 HA GLU 57 HA GLU 57 -16.267 -3.757 1.268 441 1HB GLU 57 HB2 GLU 57 -18.862 -3.797 -0.227 442 2HB GLU 57 HB1 GLU 57 -18.568 -4.913 1.101 443 1HG GLU 57 HG2 GLU 57 -18.196 -1.954 1.408 444 2HG GLU 57 HG1 GLU 57 -19.768 -2.731 1.628 445 HA PRO 58 HA PRO 58 -16.564 -7.826 -1.283 446 1HB PRO 58 HB2 PRO 58 -16.695 -7.683 -3.985 447 2HB PRO 58 HB1 PRO 58 -18.134 -7.714 -2.958 448 1HG PRO 58 HG2 PRO 58 -16.777 -5.381 -4.250 449 2HG PRO 58 HG1 PRO 58 -18.509 -5.740 -4.128 450 1HD PRO 58 HD2 PRO 58 -17.259 -3.971 -2.495 451 2HD PRO 58 HD1 PRO 58 -18.651 -4.941 -1.974 452 H LEU 59 HN LEU 59 -14.727 -5.092 -2.006 453 HA LEU 59 HA LEU 59 -12.598 -6.540 -3.366 454 1HB LEU 59 HB2 LEU 59 -13.352 -4.210 -4.017 455 2HB LEU 59 HB1 LEU 59 -12.664 -3.641 -2.512 456 HG LEU 59 HG LEU 59 -10.983 -5.084 -4.552 457 1HD1 LEU 59 HD11 LEU 59 -11.526 -2.122 -4.388 458 2HD1 LEU 59 HD12 LEU 59 -12.044 -3.201 -5.683 459 3HD1 LEU 59 HD13 LEU 59 -10.326 -2.896 -5.422 460 1HD2 LEU 59 HD21 LEU 59 -10.036 -4.825 -2.309 461 2HD2 LEU 59 HD22 LEU 59 -10.315 -3.086 -2.390 462 3HD2 LEU 59 HD23 LEU 59 -9.164 -3.847 -3.489 463 H SER 60 HN SER 60 -12.966 -4.515 -0.441 464 HA SER 60 HA SER 60 -10.449 -5.170 0.647 465 1HB SER 60 HB2 SER 60 -12.878 -4.369 2.252 466 2HB SER 60 HB1 SER 60 -11.181 -4.037 2.604 467 HG SER 60 HG SER 60 -11.115 -2.553 0.949 468 H ALA 61 HN ALA 61 -13.496 -6.823 0.657 469 HA ALA 61 HA ALA 61 -13.074 -8.517 2.893 470 1HB ALA 61 HB1 ALA 61 -14.773 -9.020 0.453 471 2HB ALA 61 HB2 ALA 61 -15.282 -8.128 1.887 472 3HB ALA 61 HB3 ALA 61 -14.897 -9.845 2.008 473 H LYS 62 HN LYS 62 -11.540 -8.427 -0.123 474 HA LYS 62 HA LYS 62 -10.980 -11.215 -0.388 475 1HB LYS 62 HB2 LYS 62 -9.524 -8.804 -1.487 476 2HB LYS 62 HB1 LYS 62 -9.196 -10.470 -1.948 477 1HG LYS 62 HG2 LYS 62 -11.451 -10.683 -2.836 478 2HG LYS 62 HG1 LYS 62 -11.811 -9.029 -2.343 479 1HD LYS 62 HD2 LYS 62 -10.056 -8.205 -3.844 480 2HD LYS 62 HD1 LYS 62 -9.707 -9.864 -4.340 481 1HE LYS 62 HE2 LYS 62 -12.016 -10.072 -5.174 482 2HE LYS 62 HE1 LYS 62 -12.312 -8.392 -4.729 483 1HZ LYS 62 HZ1 LYS 62 -10.674 -7.679 -6.310 484 2HZ LYS 62 HZ2 LYS 62 -11.780 -8.697 -7.098 485 3HZ LYS 62 HZ3 LYS 62 -10.247 -9.283 -6.668 486 H TYR 63 HN TYR 63 -9.744 -8.639 1.525 487 HA TYR 63 HA TYR 63 -7.279 -9.970 2.236 488 1HB TYR 63 HB2 TYR 63 -8.638 -7.503 3.331 489 2HB TYR 63 HB1 TYR 63 -7.094 -8.107 3.912 490 HD1 TYR 63 HD1 TYR 63 -8.824 -6.411 1.174 491 HD2 TYR 63 HD2 TYR 63 -5.100 -7.930 2.551 492 HE1 TYR 63 HE1 TYR 63 -7.662 -5.121 -0.568 493 HE2 TYR 63 HE2 TYR 63 -3.927 -6.647 0.821 494 HH TYR 63 HH TYR 63 -5.451 -4.195 -0.997 495 H LYS 64 HN LYS 64 -9.937 -11.222 2.697 496 HA LYS 64 HA LYS 64 -10.781 -11.192 5.335 497 1HB LYS 64 HB2 LYS 64 -11.984 -12.216 3.435 498 2HB LYS 64 HB1 LYS 64 -10.802 -13.514 3.399 499 1HG LYS 64 HG2 LYS 64 -11.502 -14.216 5.634 500 2HG LYS 64 HG1 LYS 64 -12.685 -12.904 5.665 501 1HD LYS 64 HD2 LYS 64 -13.652 -15.118 5.047 502 2HD LYS 64 HD1 LYS 64 -13.895 -13.864 3.831 503 1HE LYS 64 HE2 LYS 64 -11.952 -14.745 2.580 504 2HE LYS 64 HE1 LYS 64 -11.800 -16.034 3.773 505 1HZ LYS 64 HZ1 LYS 64 -13.020 -16.610 1.674 506 2HZ LYS 64 HZ2 LYS 64 -14.277 -15.600 2.199 507 3HZ LYS 64 HZ3 LYS 64 -13.843 -16.961 3.111 508 H ASN 65 HN ASN 65 -9.035 -11.126 6.707 509 HA ASN 65 HA ASN 65 -7.409 -11.852 8.101 510 1HB ASN 65 HB2 ASN 65 -9.517 -13.257 8.660 511 2HB ASN 65 HB1 ASN 65 -8.628 -14.594 7.936 512 1HD2 ASN 65 HD21 ASN 65 -8.696 -12.267 10.534 513 2HD2 ASN 65 HD22 ASN 65 -7.568 -13.089 11.562 514 H ILE 66 HN ILE 66 -6.419 -11.793 5.535 515 HA ILE 66 HA ILE 66 -5.066 -14.176 4.781 516 HB ILE 66 HB ILE 66 -4.079 -11.346 4.359 517 1HG1 ILE 66 HG12 ILE 66 -5.948 -12.992 2.640 518 2HG1 ILE 66 HG11 ILE 66 -6.357 -11.517 3.516 519 1HG2 ILE 66 HG21 ILE 66 -3.526 -13.898 2.853 520 2HG2 ILE 66 HG22 ILE 66 -2.406 -13.044 3.915 521 3HG2 ILE 66 HG23 ILE 66 -2.935 -12.298 2.407 522 1HD1 ILE 66 HD11 ILE 66 -6.035 -11.088 1.142 523 2HD1 ILE 66 HD12 ILE 66 -4.392 -11.722 1.244 524 3HD1 ILE 66 HD13 ILE 66 -4.824 -10.250 2.113 525 H ALA 67 HN ALA 67 -4.167 -11.386 6.685 526 HA ALA 67 HA ALA 67 -2.340 -12.911 8.327 527 1HB ALA 67 HB1 ALA 67 -1.428 -10.545 6.672 528 2HB ALA 67 HB2 ALA 67 -0.879 -12.213 6.502 529 3HB ALA 67 HB3 ALA 67 -0.489 -11.298 7.960 530 H GLY 68 HN GLY 68 -1.176 -10.449 9.428 531 1HA GLY 68 HA2 GLY 68 -3.412 -9.465 10.968 532 2HA GLY 68 HA1 GLY 68 -1.749 -8.890 11.049 533 H VAL 69 HN VAL 69 -4.260 -9.045 8.555 534 HA VAL 69 HA VAL 69 -3.325 -6.509 7.491 535 HB VAL 69 HB VAL 69 -4.902 -7.021 5.591 536 1HG1 VAL 69 HG11 VAL 69 -3.500 -8.741 4.614 537 2HG1 VAL 69 HG12 VAL 69 -2.883 -9.176 6.208 538 3HG1 VAL 69 HG13 VAL 69 -2.513 -7.591 5.520 539 1HG2 VAL 69 HG21 VAL 69 -6.464 -8.464 6.813 540 2HG2 VAL 69 HG22 VAL 69 -5.197 -9.682 6.975 541 3HG2 VAL 69 HG23 VAL 69 -5.812 -9.254 5.377 542 H GLU 70 HN GLU 70 -4.110 -4.781 8.444 543 HA GLU 70 HA GLU 70 -6.897 -4.693 9.309 544 1HB GLU 70 HB2 GLU 70 -4.538 -2.861 9.705 545 2HB GLU 70 HB1 GLU 70 -6.170 -2.377 10.135 546 1HG GLU 70 HG2 GLU 70 -4.899 -4.873 11.209 547 2HG GLU 70 HG1 GLU 70 -4.722 -3.301 11.989 548 H GLU 71 HN GLU 71 -8.379 -4.087 7.885 549 HA GLU 71 HA GLU 71 -7.620 -2.157 5.807 550 1HB GLU 71 HB2 GLU 71 -10.026 -3.026 4.959 551 2HB GLU 71 HB1 GLU 71 -8.508 -3.782 4.510 552 1HG GLU 71 HG2 GLU 71 -10.083 -5.479 5.118 553 2HG GLU 71 HG1 GLU 71 -8.813 -5.414 6.334 554 H LYS 72 HN LYS 72 -8.169 -0.128 6.225 555 HA LYS 72 HA LYS 72 -10.671 0.323 7.706 556 1HB LYS 72 HB2 LYS 72 -8.075 1.821 7.762 557 2HB LYS 72 HB1 LYS 72 -9.576 2.640 8.167 558 1HG LYS 72 HG2 LYS 72 -8.620 1.941 10.204 559 2HG LYS 72 HG1 LYS 72 -9.964 0.844 9.887 560 1HD LYS 72 HD2 LYS 72 -8.353 -0.796 8.974 561 2HD LYS 72 HD1 LYS 72 -7.037 0.296 9.413 562 1HE LYS 72 HE2 LYS 72 -7.247 -1.366 11.125 563 2HE LYS 72 HE1 LYS 72 -7.805 0.176 11.774 564 1HZ LYS 72 HZ1 LYS 72 -10.106 -0.576 11.268 565 2HZ LYS 72 HZ2 LYS 72 -9.322 -1.517 12.439 566 3HZ LYS 72 HZ3 LYS 72 -9.481 -2.099 10.853 567 H LEU 73 HN LEU 73 -12.110 0.559 6.135 568 HA LEU 73 HA LEU 73 -11.643 2.296 3.862 569 1HB LEU 73 HB2 LEU 73 -14.106 0.850 4.851 570 2HB LEU 73 HB1 LEU 73 -14.042 1.786 3.372 571 HG LEU 73 HG LEU 73 -12.237 -0.580 3.843 572 1HD1 LEU 73 HD11 LEU 73 -14.955 -0.536 2.533 573 2HD1 LEU 73 HD12 LEU 73 -14.539 -1.350 4.042 574 3HD1 LEU 73 HD13 LEU 73 -13.829 -1.895 2.522 575 1HD2 LEU 73 HD21 LEU 73 -11.609 1.018 2.081 576 2HD2 LEU 73 HD22 LEU 73 -13.192 0.790 1.333 577 3HD2 LEU 73 HD23 LEU 73 -12.059 -0.558 1.425 578 H THR 74 HN THR 74 -11.421 4.402 4.546 579 HA THR 74 HA THR 74 -13.513 5.443 6.319 580 HB THR 74 HB THR 74 -12.043 7.389 6.674 581 HG1 THR 74 HG1 THR 74 -10.178 5.940 5.068 582 1HG2 THR 74 HG21 THR 74 -11.838 5.523 8.207 583 2HG2 THR 74 HG22 THR 74 -10.247 6.226 7.908 584 3HG2 THR 74 HG23 THR 74 -10.708 4.719 7.117 585 H TYR 75 HN TYR 75 -15.115 6.537 5.462 586 HA TYR 75 HA TYR 75 -14.766 7.668 2.763 587 1HB TYR 75 HB2 TYR 75 -17.369 7.033 4.163 588 2HB TYR 75 HB1 TYR 75 -17.145 7.445 2.468 589 HD1 TYR 75 HD1 TYR 75 -15.989 5.791 0.956 590 HD2 TYR 75 HD2 TYR 75 -17.184 4.804 4.921 591 HE1 TYR 75 HE1 TYR 75 -15.830 3.398 0.403 592 HE2 TYR 75 HE2 TYR 75 -17.026 2.411 4.380 593 HH TYR 75 HH TYR 75 -15.487 1.242 1.627 594 H THR 76 HN THR 76 -14.183 9.751 3.010 595 HA THR 76 HA THR 76 -15.080 11.306 5.244 596 HB THR 76 HB THR 76 -13.575 12.312 2.841 597 HG1 THR 76 HG1 THR 76 -12.674 10.945 5.179 598 1HG2 THR 76 HG21 THR 76 -12.678 13.942 4.446 599 2HG2 THR 76 HG22 THR 76 -13.678 13.238 5.718 600 3HG2 THR 76 HG23 THR 76 -14.436 14.042 4.343 601 H ASP 77 HN ASP 77 -15.200 12.067 1.806 602 HA ASP 77 HA ASP 77 -17.998 12.663 1.860 603 1HB ASP 77 HB2 ASP 77 -17.885 15.049 1.455 604 2HB ASP 77 HB1 ASP 77 -17.068 14.686 2.969 605 H THR 78 HN THR 78 -14.994 13.464 0.100 606 HA THR 78 HA THR 78 -16.388 12.691 -2.375 607 HB THR 78 HB THR 78 -14.587 14.271 -3.430 608 HG1 THR 78 HG1 THR 78 -14.877 15.492 -0.863 609 1HG2 THR 78 HG21 THR 78 -17.003 14.652 -3.538 610 2HG2 THR 78 HG22 THR 78 -16.139 16.163 -3.252 611 3HG2 THR 78 HG23 THR 78 -16.971 15.357 -1.921 612 H TYR 79 HN TYR 79 -14.331 11.441 -0.319 613 HA TYR 79 HA TYR 79 -13.025 9.888 -2.358 614 1HB TYR 79 HB2 TYR 79 -10.765 10.260 -1.658 615 2HB TYR 79 HB1 TYR 79 -11.483 11.825 -2.004 616 HD1 TYR 79 HD1 TYR 79 -9.999 9.696 0.528 617 HD2 TYR 79 HD2 TYR 79 -12.038 13.370 -0.136 618 HE1 TYR 79 HE1 TYR 79 -9.268 10.492 2.734 619 HE2 TYR 79 HE2 TYR 79 -11.311 14.177 2.071 620 HH TYR 79 HH TYR 79 -10.585 13.207 4.245 621 H ALA 80 HN ALA 80 -12.117 7.960 -1.591 622 HA ALA 80 HA ALA 80 -12.909 7.227 1.149 623 1HB ALA 80 HB1 ALA 80 -14.215 6.037 -0.555 624 2HB ALA 80 HB2 ALA 80 -13.174 4.935 0.346 625 3HB ALA 80 HB3 ALA 80 -12.722 5.443 -1.281 626 H GLN 81 HN GLN 81 -11.228 6.941 2.435 627 HA GLN 81 HA GLN 81 -8.590 6.458 1.245 628 1HB GLN 81 HB2 GLN 81 -8.922 8.378 2.817 629 2HB GLN 81 HB1 GLN 81 -9.322 7.230 4.077 630 1HG GLN 81 HG2 GLN 81 -7.046 6.241 3.790 631 2HG GLN 81 HG1 GLN 81 -6.669 7.583 2.707 632 1HE2 GLN 81 HE21 GLN 81 -5.056 8.386 4.081 633 2HE2 GLN 81 HE22 GLN 81 -5.448 9.183 5.570 634 H GLU 82 HN GLU 82 -8.435 4.270 0.934 635 HA GLU 82 HA GLU 82 -9.222 2.472 3.074 636 1HB GLU 82 HB2 GLU 82 -9.622 1.805 0.717 637 2HB GLU 82 HB1 GLU 82 -7.886 1.833 0.430 638 1HG GLU 82 HG2 GLU 82 -7.566 0.043 2.037 639 2HG GLU 82 HG1 GLU 82 -9.287 0.041 2.404 640 H ASN 83 HN ASN 83 -7.882 2.929 4.731 641 HA ASN 83 HA ASN 83 -5.004 2.983 4.329 642 1HB ASN 83 HB2 ASN 83 -6.301 4.466 5.981 643 2HB ASN 83 HB1 ASN 83 -6.459 3.026 6.975 644 1HD2 ASN 83 HD21 ASN 83 -3.766 2.041 6.234 645 2HD2 ASN 83 HD22 ASN 83 -2.659 3.040 7.103 646 H VAL 84 HN VAL 84 -4.177 1.022 3.905 647 HA VAL 84 HA VAL 84 -5.216 -1.276 5.414 648 HB VAL 84 HB VAL 84 -3.349 -1.339 3.037 649 1HG1 VAL 84 HG11 VAL 84 -3.288 -3.355 4.377 650 2HG1 VAL 84 HG12 VAL 84 -4.108 -3.673 2.848 651 3HG1 VAL 84 HG13 VAL 84 -5.047 -3.472 4.327 652 1HG2 VAL 84 HG21 VAL 84 -5.311 -1.897 1.679 653 2HG2 VAL 84 HG22 VAL 84 -5.442 -0.284 2.377 654 3HG2 VAL 84 HG23 VAL 84 -6.353 -1.622 3.075 655 H THR 85 HN THR 85 -3.925 -2.517 6.702 656 HA THR 85 HA THR 85 -1.099 -1.750 6.936 657 HB THR 85 HB THR 85 -2.843 -2.416 9.315 658 HG1 THR 85 HG1 THR 85 -3.356 -0.357 8.284 659 1HG2 THR 85 HG21 THR 85 -0.059 -1.259 9.113 660 2HG2 THR 85 HG22 THR 85 -0.458 -2.911 9.588 661 3HG2 THR 85 HG23 THR 85 -0.948 -1.557 10.608 662 H ILE 86 HN ILE 86 -0.229 -3.494 6.001 663 HA ILE 86 HA ILE 86 -1.191 -6.164 6.759 664 HB ILE 86 HB ILE 86 0.651 -5.336 4.503 665 1HG1 ILE 86 HG12 ILE 86 -2.262 -6.151 4.412 666 2HG1 ILE 86 HG11 ILE 86 -1.665 -4.505 4.229 667 1HG2 ILE 86 HG21 ILE 86 -0.640 -7.991 5.115 668 2HG2 ILE 86 HG22 ILE 86 1.079 -7.608 5.214 669 3HG2 ILE 86 HG23 ILE 86 0.265 -7.612 3.650 670 1HD1 ILE 86 HD11 ILE 86 -2.193 -5.455 2.077 671 2HD1 ILE 86 HD12 ILE 86 -1.118 -6.818 2.384 672 3HD1 ILE 86 HD13 ILE 86 -0.453 -5.195 2.209 673 H ASP 87 HN ASP 87 0.105 -7.525 7.938 674 HA ASP 87 HA ASP 87 2.777 -6.580 8.618 675 1HB ASP 87 HB2 ASP 87 2.766 -8.046 10.410 676 2HB ASP 87 HB1 ASP 87 1.047 -7.716 10.259 677 H MET 88 HN MET 88 4.635 -7.555 7.921 678 HA MET 88 HA MET 88 4.256 -9.225 5.544 679 1HB MET 88 HB2 MET 88 6.705 -7.718 6.483 680 2HB MET 88 HB1 MET 88 6.522 -8.530 4.936 681 1HG MET 88 HG2 MET 88 4.627 -6.367 5.742 682 2HG MET 88 HG1 MET 88 6.209 -5.972 5.080 683 1HE MET 88 HE1 MET 88 6.830 -6.022 2.642 684 2HE MET 88 HE2 MET 88 6.082 -7.094 1.454 685 3HE MET 88 HE3 MET 88 6.931 -7.774 2.843 686 H GLU 89 HN GLU 89 4.191 -10.113 8.376 687 HA GLU 89 HA GLU 89 6.424 -12.017 8.377 688 1HB GLU 89 HB2 GLU 89 4.536 -11.117 10.556 689 2HB GLU 89 HB1 GLU 89 5.707 -12.411 10.759 690 1HG GLU 89 HG2 GLU 89 6.491 -9.628 9.937 691 2HG GLU 89 HG1 GLU 89 6.358 -10.126 11.625 692 H LYS 90 HN LYS 90 2.913 -11.756 8.768 693 HA LYS 90 HA LYS 90 2.648 -14.658 8.475 694 1HB LYS 90 HB2 LYS 90 1.453 -13.418 10.314 695 2HB LYS 90 HB1 LYS 90 0.496 -12.619 9.076 696 1HG LYS 90 HG2 LYS 90 -0.232 -14.896 8.304 697 2HG LYS 90 HG1 LYS 90 0.546 -15.549 9.744 698 1HD LYS 90 HD2 LYS 90 -0.958 -14.442 11.182 699 2HD LYS 90 HD1 LYS 90 -1.548 -13.397 9.886 700 1HE LYS 90 HE2 LYS 90 -2.516 -15.334 8.759 701 2HE LYS 90 HE1 LYS 90 -1.919 -16.387 10.039 702 1HZ LYS 90 HZ1 LYS 90 -3.409 -15.471 11.574 703 2HZ LYS 90 HZ2 LYS 90 -4.326 -15.679 10.162 704 3HZ LYS 90 HZ3 LYS 90 -3.764 -14.137 10.590 705 H VAL 91 HN VAL 91 2.940 -12.199 6.385 706 HA VAL 91 HA VAL 91 0.778 -12.128 4.696 707 HB VAL 91 HB VAL 91 2.645 -12.054 2.804 708 1HG1 VAL 91 HG11 VAL 91 1.210 -10.222 3.401 709 2HG1 VAL 91 HG12 VAL 91 2.875 -9.657 3.257 710 3HG1 VAL 91 HG13 VAL 91 2.164 -9.905 4.853 711 1HG2 VAL 91 HG21 VAL 91 4.741 -11.142 3.715 712 2HG2 VAL 91 HG22 VAL 91 4.467 -12.819 4.186 713 3HG2 VAL 91 HG23 VAL 91 4.176 -11.520 5.345 714 H ASP 92 HN ASP 92 -0.370 -13.783 4.006 715 HA ASP 92 HA ASP 92 0.968 -16.196 3.077 716 1HB ASP 92 HB2 ASP 92 -1.199 -16.312 4.343 717 2HB ASP 92 HB1 ASP 92 -1.986 -15.549 2.964 718 H PHE 93 HN PHE 93 2.019 -15.840 1.231 719 HA PHE 93 HA PHE 93 1.124 -13.945 -0.701 720 1HB PHE 93 HB2 PHE 93 3.376 -15.938 -0.628 721 2HB PHE 93 HB1 PHE 93 3.027 -15.016 -2.087 722 HD1 PHE 93 HD1 PHE 93 3.123 -12.516 -1.988 723 HD2 PHE 93 HD2 PHE 93 4.573 -14.994 1.151 724 HE1 PHE 93 HE1 PHE 93 4.454 -10.635 -1.123 725 HE2 PHE 93 HE2 PHE 93 5.905 -13.119 2.025 726 HZ PHE 93 HZ PHE 93 5.845 -10.935 0.887 727 H LYS 94 HN LYS 94 0.367 -17.218 -0.133 728 HA LYS 94 HA LYS 94 -0.210 -17.940 -2.843 729 1HB LYS 94 HB2 LYS 94 0.241 -19.539 -0.888 730 2HB LYS 94 HB1 LYS 94 -1.412 -19.219 -0.385 731 1HG LYS 94 HG2 LYS 94 -0.753 -20.225 -3.136 732 2HG LYS 94 HG1 LYS 94 -0.987 -21.311 -1.767 733 1HD LYS 94 HD2 LYS 94 -3.242 -20.642 -1.503 734 2HD LYS 94 HD1 LYS 94 -3.031 -19.257 -2.577 735 1HE LYS 94 HE2 LYS 94 -2.813 -22.140 -3.430 736 2HE LYS 94 HE1 LYS 94 -4.261 -21.153 -3.611 737 1HZ LYS 94 HZ1 LYS 94 -1.621 -20.536 -4.827 738 2HZ LYS 94 HZ2 LYS 94 -3.059 -19.666 -5.058 739 3HZ LYS 94 HZ3 LYS 94 -2.922 -21.252 -5.642 740 H ALA 95 HN ALA 95 -2.143 -16.877 -0.056 741 HA ALA 95 HA ALA 95 -4.574 -16.618 -1.498 742 1HB ALA 95 HB1 ALA 95 -5.325 -15.267 0.398 743 2HB ALA 95 HB2 ALA 95 -3.668 -15.177 0.995 744 3HB ALA 95 HB3 ALA 95 -4.503 -16.730 0.945 745 H LEU 96 HN LEU 96 -1.893 -14.437 -0.817 746 HA LEU 96 HA LEU 96 -3.021 -12.093 -1.898 747 1HB LEU 96 HB2 LEU 96 -0.468 -12.937 -0.876 748 2HB LEU 96 HB1 LEU 96 -0.243 -11.993 -2.335 749 HG LEU 96 HG LEU 96 -1.670 -11.107 0.175 750 1HD1 LEU 96 HD11 LEU 96 0.752 -11.112 0.374 751 2HD1 LEU 96 HD12 LEU 96 0.141 -9.459 0.293 752 3HD1 LEU 96 HD13 LEU 96 0.891 -10.191 -1.124 753 1HD2 LEU 96 HD21 LEU 96 -2.810 -10.196 -1.758 754 2HD2 LEU 96 HD22 LEU 96 -1.274 -9.662 -2.442 755 3HD2 LEU 96 HD23 LEU 96 -1.879 -8.929 -0.956 756 H GLN 97 HN GLN 97 -1.673 -14.886 -3.390 757 HA GLN 97 HA GLN 97 -0.645 -13.969 -5.771 758 1HB GLN 97 HB2 GLN 97 -0.550 -16.304 -5.088 759 2HB GLN 97 HB1 GLN 97 -2.289 -16.457 -5.287 760 1HG GLN 97 HG2 GLN 97 -1.999 -15.970 -7.703 761 2HG GLN 97 HG1 GLN 97 -0.255 -15.988 -7.452 762 1HE2 GLN 97 HE21 GLN 97 -1.956 -17.700 -9.106 763 2HE2 GLN 97 HE22 GLN 97 -1.660 -19.323 -8.580 764 H GLY 98 HN GLY 98 -4.045 -14.485 -4.939 765 1HA GLY 98 HA2 GLY 98 -4.851 -13.704 -7.642 766 2HA GLY 98 HA1 GLY 98 -5.902 -14.357 -6.395 767 H ILE 99 HN ILE 99 -3.972 -12.000 -5.036 768 HA ILE 99 HA ILE 99 -6.035 -9.931 -5.472 769 HB ILE 99 HB ILE 99 -4.681 -10.328 -2.804 770 1HG1 ILE 99 HG12 ILE 99 -7.371 -11.459 -3.608 771 2HG1 ILE 99 HG11 ILE 99 -5.901 -12.418 -3.488 772 1HG2 ILE 99 HG21 ILE 99 -5.771 -8.176 -3.208 773 2HG2 ILE 99 HG22 ILE 99 -6.627 -9.094 -1.970 774 3HG2 ILE 99 HG23 ILE 99 -7.275 -9.003 -3.608 775 1HD1 ILE 99 HD11 ILE 99 -5.754 -11.846 -1.105 776 2HD1 ILE 99 HD12 ILE 99 -7.248 -12.691 -1.511 777 3HD1 ILE 99 HD13 ILE 99 -7.264 -10.947 -1.247 778 H SER 100 HN SER 100 -3.011 -10.600 -6.181 779 HA SER 100 HA SER 100 -1.557 -8.424 -5.058 780 1HB SER 100 HB2 SER 100 -0.912 -10.142 -7.463 781 2HB SER 100 HB1 SER 100 0.204 -9.028 -6.674 782 HG SER 100 HG SER 100 -1.074 -11.029 -5.162 783 H GLY 101 HN GLY 101 -2.431 -6.466 -5.460 784 1HA GLY 101 HA2 GLY 101 -3.081 -5.697 -8.198 785 2HA GLY 101 HA1 GLY 101 -3.349 -4.732 -6.752 786 H ILE 102 HN ILE 102 -0.262 -6.112 -6.905 787 HA ILE 102 HA ILE 102 0.962 -3.532 -7.292 788 HB ILE 102 HB ILE 102 2.335 -6.219 -7.013 789 1HG1 ILE 102 HG12 ILE 102 2.761 -5.211 -4.619 790 2HG1 ILE 102 HG11 ILE 102 1.305 -4.287 -4.964 791 1HG2 ILE 102 HG21 ILE 102 4.287 -4.902 -6.343 792 2HG2 ILE 102 HG22 ILE 102 3.380 -3.416 -6.625 793 3HG2 ILE 102 HG23 ILE 102 3.756 -4.489 -7.974 794 1HD1 ILE 102 HD11 ILE 102 0.795 -6.280 -3.691 795 2HD1 ILE 102 HD12 ILE 102 1.531 -7.286 -4.939 796 3HD1 ILE 102 HD13 ILE 102 0.069 -6.366 -5.296 797 H ASN 103 HN ASN 103 0.322 -3.076 -9.448 798 HA ASN 103 HA ASN 103 1.054 -4.915 -11.544 799 1HB ASN 103 HB2 ASN 103 -1.013 -3.492 -11.647 800 2HB ASN 103 HB1 ASN 103 0.029 -2.090 -11.872 801 1HD2 ASN 103 HD21 ASN 103 -1.134 -5.053 -13.284 802 2HD2 ASN 103 HD22 ASN 103 -0.653 -4.698 -14.907 803 H VAL 104 HN VAL 104 3.296 -4.755 -10.639 804 HA VAL 104 HA VAL 104 4.789 -2.966 -12.438 805 HB VAL 104 HB VAL 104 5.761 -3.925 -9.728 806 1HG1 VAL 104 HG11 VAL 104 7.006 -2.016 -11.708 807 2HG1 VAL 104 HG12 VAL 104 7.548 -3.660 -11.369 808 3HG1 VAL 104 HG13 VAL 104 7.651 -2.422 -10.116 809 1HG2 VAL 104 HG21 VAL 104 4.872 -1.165 -10.564 810 2HG2 VAL 104 HG22 VAL 104 5.612 -1.585 -9.018 811 3HG2 VAL 104 HG23 VAL 104 4.031 -2.240 -9.447 812 H SER 105 HN SER 105 4.798 -5.909 -10.530 813 HA SER 105 HA SER 105 5.241 -7.536 -12.814 814 1HB SER 105 HB2 SER 105 7.582 -6.815 -12.347 815 2HB SER 105 HB1 SER 105 7.437 -7.476 -10.719 816 HG SER 105 HG SER 105 7.455 -8.844 -13.189 817 H ALA 106 HN ALA 106 3.745 -9.032 -12.390 818 HA ALA 106 HA ALA 106 2.876 -9.677 -9.755 819 1HB ALA 106 HB1 ALA 106 1.536 -11.414 -10.827 820 2HB ALA 106 HB2 ALA 106 2.429 -11.190 -12.330 821 3HB ALA 106 HB3 ALA 106 1.407 -9.892 -11.711 822 H GLU 107 HN GLU 107 5.264 -10.895 -11.924 823 HA GLU 107 HA GLU 107 5.724 -13.404 -10.683 824 1HB GLU 107 HB2 GLU 107 7.399 -11.698 -12.527 825 2HB GLU 107 HB1 GLU 107 7.907 -13.283 -11.967 826 1HG GLU 107 HG2 GLU 107 6.932 -13.356 -14.211 827 2HG GLU 107 HG1 GLU 107 6.020 -14.323 -13.057 828 H ASP 108 HN ASP 108 6.501 -10.212 -9.799 829 HA ASP 108 HA ASP 108 8.838 -10.841 -8.243 830 1HB ASP 108 HB2 ASP 108 7.432 -8.461 -9.054 831 2HB ASP 108 HB1 ASP 108 7.679 -8.431 -7.312 832 H ALA 109 HN ALA 109 5.407 -10.247 -7.658 833 HA ALA 109 HA ALA 109 5.480 -10.612 -4.853 834 1HB ALA 109 HB1 ALA 109 3.063 -10.832 -4.999 835 2HB ALA 109 HB2 ALA 109 3.169 -11.052 -6.745 836 3HB ALA 109 HB3 ALA 109 3.619 -9.507 -6.022 837 H LYS 110 HN LYS 110 5.017 -12.800 -7.572 838 HA LYS 110 HA LYS 110 4.364 -15.142 -6.173 839 1HB LYS 110 HB2 LYS 110 5.938 -14.812 -8.735 840 2HB LYS 110 HB1 LYS 110 5.284 -16.334 -8.155 841 1HG LYS 110 HG2 LYS 110 3.046 -15.579 -8.459 842 2HG LYS 110 HG1 LYS 110 3.592 -13.931 -8.790 843 1HD LYS 110 HD2 LYS 110 4.717 -14.693 -10.811 844 2HD LYS 110 HD1 LYS 110 4.227 -16.353 -10.475 845 1HE LYS 110 HE2 LYS 110 1.902 -15.756 -10.737 846 2HE LYS 110 HE1 LYS 110 2.330 -14.058 -10.946 847 1HZ LYS 110 HZ1 LYS 110 1.865 -15.429 -13.020 848 2HZ LYS 110 HZ2 LYS 110 3.382 -16.145 -12.756 849 3HZ LYS 110 HZ3 LYS 110 3.269 -14.472 -13.022 850 H LYS 111 HN LYS 111 7.401 -13.524 -6.713 851 HA LYS 111 HA LYS 111 8.939 -15.800 -5.736 852 1HB LYS 111 HB2 LYS 111 9.633 -14.462 -7.758 853 2HB LYS 111 HB1 LYS 111 9.938 -13.108 -6.680 854 1HG LYS 111 HG2 LYS 111 11.985 -14.314 -7.261 855 2HG LYS 111 HG1 LYS 111 11.655 -14.369 -5.527 856 1HD LYS 111 HD2 LYS 111 10.658 -16.615 -5.835 857 2HD LYS 111 HD1 LYS 111 11.119 -16.554 -7.538 858 1HE LYS 111 HE2 LYS 111 13.459 -16.399 -6.924 859 2HE LYS 111 HE1 LYS 111 13.030 -16.359 -5.214 860 1HZ LYS 111 HZ1 LYS 111 12.578 -18.620 -7.088 861 2HZ LYS 111 HZ2 LYS 111 12.072 -18.582 -5.465 862 3HZ LYS 111 HZ3 LYS 111 13.727 -18.557 -5.838 863 H GLY 112 HN GLY 112 7.156 -13.643 -4.243 864 1HA GLY 112 HA2 GLY 112 7.152 -13.050 -1.989 865 2HA GLY 112 HA1 GLY 112 8.811 -13.622 -1.861 866 H ILE 113 HN ILE 113 7.869 -11.192 -0.737 867 HA ILE 113 HA ILE 113 9.094 -9.197 -2.512 868 HB ILE 113 HB ILE 113 7.067 -8.831 -0.309 869 1HG1 ILE 113 HG12 ILE 113 6.082 -9.643 -2.364 870 2HG1 ILE 113 HG11 ILE 113 5.668 -7.945 -2.172 871 1HG2 ILE 113 HG21 ILE 113 8.661 -6.992 -0.253 872 2HG2 ILE 113 HG22 ILE 113 7.094 -6.448 -0.851 873 3HG2 ILE 113 HG23 ILE 113 8.423 -6.716 -1.978 874 1HD1 ILE 113 HD11 ILE 113 6.229 -8.467 -4.483 875 2HD1 ILE 113 HD12 ILE 113 7.819 -9.040 -3.978 876 3HD1 ILE 113 HD13 ILE 113 7.395 -7.339 -3.790 877 H THR 114 HN THR 114 10.877 -8.194 -1.918 878 HA THR 114 HA THR 114 11.792 -8.408 0.875 879 HB THR 114 HB THR 114 14.109 -8.659 0.062 880 HG1 THR 114 HG1 THR 114 13.091 -9.198 -2.526 881 1HG2 THR 114 HG21 THR 114 12.879 -10.688 0.598 882 2HG2 THR 114 HG22 THR 114 13.946 -10.973 -0.777 883 3HG2 THR 114 HG23 THR 114 12.217 -10.741 -1.035 884 H MET 115 HN MET 115 13.673 -6.759 1.229 885 HA MET 115 HA MET 115 12.698 -4.186 0.446 886 1HB MET 115 HB2 MET 115 13.809 -4.598 2.634 887 2HB MET 115 HB1 MET 115 15.328 -4.857 1.782 888 1HG MET 115 HG2 MET 115 15.182 -2.605 2.714 889 2HG MET 115 HG1 MET 115 15.281 -2.577 0.952 890 1HE MET 115 HE1 MET 115 12.992 0.485 1.448 891 2HE MET 115 HE2 MET 115 14.399 -0.181 0.619 892 3HE MET 115 HE3 MET 115 14.424 0.028 2.370 893 H ALA 116 HN ALA 116 15.265 -6.310 -0.598 894 HA ALA 116 HA ALA 116 16.724 -4.569 -2.225 895 1HB ALA 116 HB1 ALA 116 16.189 -7.506 -2.669 896 2HB ALA 116 HB2 ALA 116 17.462 -6.838 -1.646 897 3HB ALA 116 HB3 ALA 116 17.493 -6.565 -3.389 898 H GLN 117 HN GLN 117 13.864 -6.519 -2.876 899 HA GLN 117 HA GLN 117 13.531 -5.805 -5.584 900 1HB GLN 117 HB2 GLN 117 11.677 -6.846 -3.464 901 2HB GLN 117 HB1 GLN 117 11.078 -6.412 -5.060 902 1HG GLN 117 HG2 GLN 117 12.317 -8.074 -6.112 903 2HG GLN 117 HG1 GLN 117 13.383 -8.286 -4.722 904 1HE2 GLN 117 HE21 GLN 117 10.244 -8.952 -6.063 905 2HE2 GLN 117 HE22 GLN 117 9.814 -10.203 -4.927 906 H MET 118 HN MET 118 11.685 -4.615 -2.762 907 HA MET 118 HA MET 118 10.298 -2.626 -3.988 908 1HB MET 118 HB2 MET 118 11.128 -3.189 -1.253 909 2HB MET 118 HB1 MET 118 10.857 -1.480 -1.552 910 1HG MET 118 HG2 MET 118 8.865 -2.724 -0.739 911 2HG MET 118 HG1 MET 118 8.628 -1.863 -2.262 912 1HE MET 118 HE1 MET 118 6.552 -3.999 -1.414 913 2HE MET 118 HE2 MET 118 6.381 -4.966 -2.879 914 3HE MET 118 HE3 MET 118 6.506 -3.209 -2.991 915 H GLU 119 HN GLU 119 13.672 -2.375 -2.908 916 HA GLU 119 HA GLU 119 14.001 0.357 -3.468 917 1HB GLU 119 HB2 GLU 119 15.891 -1.973 -3.416 918 2HB GLU 119 HB1 GLU 119 16.448 -0.382 -3.913 919 1HG GLU 119 HG2 GLU 119 15.083 -0.920 -1.291 920 2HG GLU 119 HG1 GLU 119 16.832 -0.959 -1.510 921 H LEU 120 HN LEU 120 15.040 -2.370 -5.540 922 HA LEU 120 HA LEU 120 15.646 -0.751 -7.774 923 1HB LEU 120 HB2 LEU 120 14.931 -3.683 -7.663 924 2HB LEU 120 HB1 LEU 120 15.672 -2.879 -9.032 925 HG LEU 120 HG LEU 120 16.934 -3.178 -6.305 926 1HD1 LEU 120 HD11 LEU 120 18.414 -4.777 -7.401 927 2HD1 LEU 120 HD12 LEU 120 17.496 -4.609 -8.898 928 3HD1 LEU 120 HD13 LEU 120 16.734 -5.313 -7.472 929 1HD2 LEU 120 HD21 LEU 120 17.674 -1.169 -7.465 930 2HD2 LEU 120 HD22 LEU 120 18.039 -2.121 -8.904 931 3HD2 LEU 120 HD23 LEU 120 18.960 -2.376 -7.422 932 H VAL 121 HN VAL 121 12.905 -2.809 -7.101 933 HA VAL 121 HA VAL 121 11.440 -2.530 -9.417 934 HB VAL 121 HB VAL 121 10.739 -3.233 -6.587 935 1HG1 VAL 121 HG11 VAL 121 8.738 -2.176 -7.455 936 2HG1 VAL 121 HG12 VAL 121 8.523 -3.919 -7.295 937 3HG1 VAL 121 HG13 VAL 121 8.802 -3.205 -8.887 938 1HG2 VAL 121 HG21 VAL 121 11.992 -4.855 -7.859 939 2HG2 VAL 121 HG22 VAL 121 10.817 -4.776 -9.173 940 3HG2 VAL 121 HG23 VAL 121 10.347 -5.441 -7.606 941 H MET 122 HN MET 122 11.230 -0.535 -6.445 942 HA MET 122 HA MET 122 9.052 1.004 -7.432 943 1HB MET 122 HB2 MET 122 10.879 1.159 -5.109 944 2HB MET 122 HB1 MET 122 10.106 2.662 -5.597 945 1HG MET 122 HG2 MET 122 8.867 1.405 -3.858 946 2HG MET 122 HG1 MET 122 7.931 1.720 -5.318 947 1HE MET 122 HE1 MET 122 6.567 -0.254 -3.606 948 2HE MET 122 HE2 MET 122 6.344 -1.678 -4.625 949 3HE MET 122 HE3 MET 122 6.113 -0.065 -5.302 950 H LYS 123 HN LYS 123 12.541 1.411 -7.532 951 HA LYS 123 HA LYS 123 12.458 3.974 -8.781 952 1HB LYS 123 HB2 LYS 123 14.646 1.885 -8.690 953 2HB LYS 123 HB1 LYS 123 14.855 3.537 -9.263 954 1HG LYS 123 HG2 LYS 123 14.492 4.437 -7.118 955 2HG LYS 123 HG1 LYS 123 13.855 2.913 -6.504 956 1HD LYS 123 HD2 LYS 123 16.059 3.187 -5.636 957 2HD LYS 123 HD1 LYS 123 16.114 1.915 -6.856 958 1HE LYS 123 HE2 LYS 123 17.068 3.423 -8.462 959 2HE LYS 123 HE1 LYS 123 16.856 4.790 -7.366 960 1HZ LYS 123 HZ1 LYS 123 18.383 3.633 -5.808 961 2HZ LYS 123 HZ2 LYS 123 19.118 4.100 -7.263 962 3HZ LYS 123 HZ3 LYS 123 18.691 2.477 -7.012 963 H ALA 124 HN ALA 124 12.166 0.717 -9.867 964 HA ALA 124 HA ALA 124 12.513 1.264 -12.666 965 1HB ALA 124 HB1 ALA 124 12.917 -0.969 -11.783 966 2HB ALA 124 HB2 ALA 124 11.604 -1.017 -12.957 967 3HB ALA 124 HB3 ALA 124 11.248 -1.074 -11.235 968 H ALA 125 HN ALA 125 9.775 0.786 -10.478 969 HA ALA 125 HA ALA 125 7.728 1.081 -12.413 970 1HB ALA 125 HB1 ALA 125 6.245 1.381 -10.447 971 2HB ALA 125 HB2 ALA 125 7.675 1.461 -9.420 972 3HB ALA 125 HB3 ALA 125 7.308 -0.020 -10.302 973 H GLY 126 HN GLY 126 9.663 3.343 -10.659 974 1HA GLY 126 HA2 GLY 126 9.848 5.634 -11.100 975 2HA GLY 126 HA1 GLY 126 8.358 5.551 -12.031 976 H PHE 127 HN PHE 127 8.595 4.175 -8.856 977 HA PHE 127 HA PHE 127 6.443 5.821 -7.927 978 1HB PHE 127 HB2 PHE 127 8.105 3.667 -6.642 979 2HB PHE 127 HB1 PHE 127 6.941 4.608 -5.717 980 HD1 PHE 127 HD1 PHE 127 7.124 1.536 -6.561 981 HD2 PHE 127 HD2 PHE 127 4.811 4.877 -7.819 982 HE1 PHE 127 HE1 PHE 127 5.317 0.019 -7.261 983 HE2 PHE 127 HE2 PHE 127 3.003 3.367 -8.523 984 HZ PHE 127 HZ PHE 127 3.254 0.935 -8.245 985 H LYS 128 HN LYS 128 6.517 7.226 -6.123 986 HA LYS 128 HA LYS 128 9.007 8.763 -6.141 987 1HB LYS 128 HB2 LYS 128 6.386 9.715 -5.009 988 2HB LYS 128 HB1 LYS 128 7.709 10.665 -5.677 989 1HG LYS 128 HG2 LYS 128 7.174 9.898 -7.913 990 2HG LYS 128 HG1 LYS 128 5.898 8.860 -7.275 991 1HD LYS 128 HD2 LYS 128 4.885 11.006 -6.319 992 2HD LYS 128 HD1 LYS 128 6.000 11.862 -7.388 993 1HE LYS 128 HE2 LYS 128 3.894 9.865 -8.212 994 2HE LYS 128 HE1 LYS 128 3.827 11.609 -8.448 995 1HZ LYS 128 HZ1 LYS 128 5.765 11.440 -9.904 996 2HZ LYS 128 HZ2 LYS 128 4.482 10.489 -10.471 997 3HZ LYS 128 HZ3 LYS 128 5.790 9.757 -9.696 998 H GLU 129 HN GLU 129 10.237 7.763 -4.597 999 HA GLU 129 HA GLU 129 9.252 6.865 -2.099 1000 1HB GLU 129 HB2 GLU 129 12.102 7.540 -2.852 1001 2HB GLU 129 HB1 GLU 129 11.592 6.549 -1.494 1002 1HG GLU 129 HG2 GLU 129 11.246 5.888 -4.411 1003 2HG GLU 129 HG1 GLU 129 12.422 5.177 -3.309 1004 H VAL 130 HN VAL 130 8.798 7.978 -0.330 1005 HA VAL 130 HA VAL 130 9.722 10.764 -0.138 1006 HB VAL 130 HB VAL 130 7.436 9.517 1.394 1007 1HG1 VAL 130 HG11 VAL 130 8.337 11.521 2.404 1008 2HG1 VAL 130 HG12 VAL 130 6.745 11.854 1.721 1009 3HG1 VAL 130 HG13 VAL 130 8.196 12.387 0.873 1010 1HG2 VAL 130 HG21 VAL 130 5.928 10.626 -0.212 1011 2HG2 VAL 130 HG22 VAL 130 6.892 9.345 -0.946 1012 3HG2 VAL 130 HG23 VAL 130 7.325 11.034 -1.210 1013 H LYS 131 HN LYS 131 11.728 10.330 0.837 1014 HA LYS 131 HA LYS 131 11.817 8.758 3.255 1015 1HB LYS 131 HB2 LYS 131 14.214 9.556 3.350 1016 2HB LYS 131 HB1 LYS 131 13.778 8.623 1.927 1017 1HG LYS 131 HG2 LYS 131 13.830 10.508 0.537 1018 2HG LYS 131 HG1 LYS 131 13.774 11.623 1.905 1019 1HD LYS 131 HD2 LYS 131 16.016 11.509 0.907 1020 2HD LYS 131 HD1 LYS 131 16.011 10.945 2.579 1021 1HE LYS 131 HE2 LYS 131 15.814 8.604 1.653 1022 2HE LYS 131 HE1 LYS 131 16.141 9.295 0.065 1023 1HZ LYS 131 HZ1 LYS 131 18.245 10.142 0.914 1024 2HZ LYS 131 HZ2 LYS 131 18.157 8.455 1.079 1025 3HZ LYS 131 HZ3 LYS 131 17.927 9.455 2.432 1026 H LEU 132 HN LEU 132 10.798 9.602 4.922 1027 HA LEU 132 HA LEU 132 10.864 12.430 5.503 1028 1HB LEU 132 HB2 LEU 132 9.424 11.872 7.404 1029 2HB LEU 132 HB1 LEU 132 8.801 11.217 5.906 1030 HG LEU 132 HG LEU 132 10.367 9.533 7.858 1031 1HD1 LEU 132 HD11 LEU 132 7.381 9.932 7.723 1032 2HD1 LEU 132 HD12 LEU 132 8.442 10.469 9.026 1033 3HD1 LEU 132 HD13 LEU 132 8.222 8.745 8.721 1034 1HD2 LEU 132 HD21 LEU 132 10.128 8.655 5.575 1035 2HD2 LEU 132 HD22 LEU 132 8.376 8.816 5.705 1036 3HD2 LEU 132 HD23 LEU 132 9.238 7.685 6.748 1037 H GLU 133 HN GLU 133 13.403 11.658 5.477 1038 HA GLU 133 HA GLU 133 14.171 11.023 8.242 1039 1HB GLU 133 HB2 GLU 133 16.283 10.222 7.343 1040 2HB GLU 133 HB1 GLU 133 14.943 9.419 6.533 1041 1HG GLU 133 HG2 GLU 133 15.301 10.538 4.544 1042 2HG GLU 133 HG1 GLU 133 16.161 11.863 5.325 1043 H HIS 134 HN HIS 134 16.340 11.870 8.835 1044 HA HIS 134 HA HIS 134 17.411 14.153 7.477 1045 1HB HIS 134 HB2 HIS 134 15.746 15.335 8.822 1046 2HB HIS 134 HB1 HIS 134 16.254 14.470 10.268 1047 HD1 HIS 134 HD1 HIS 134 16.943 16.559 11.576 1048 HD2 HIS 134 HD2 HIS 134 18.889 16.181 7.916 1049 HE1 HIS 134 HE1 HIS 134 18.804 18.251 11.613 1050 HE2 HIS 134 HE2 HIS 134 20.102 17.838 9.491 1051 H HIS 135 HN HIS 135 19.539 13.753 7.534 1052 HA HIS 135 HA HIS 135 20.649 11.667 9.005 1053 1HB HIS 135 HB2 HIS 135 21.614 13.642 7.146 1054 2HB HIS 135 HB1 HIS 135 22.772 13.427 8.459 1055 HD1 HIS 135 HD1 HIS 135 24.516 11.881 7.611 1056 HD2 HIS 135 HD2 HIS 135 20.690 10.674 6.511 1057 HE1 HIS 135 HE1 HIS 135 24.803 9.650 6.475 1058 HE2 HIS 135 HE2 HIS 135 22.456 8.855 5.997 1059 H HIS 136 HN HIS 136 21.622 11.479 10.920 1060 HA HIS 136 HA HIS 136 20.817 13.448 12.850 1061 1HB HIS 136 HB2 HIS 136 22.320 10.852 13.237 1062 2HB HIS 136 HB1 HIS 136 21.622 11.832 14.521 1063 HD1 HIS 136 HD1 HIS 136 20.877 9.034 12.366 1064 HD2 HIS 136 HD2 HIS 136 18.664 12.034 14.221 1065 HE1 HIS 136 HE1 HIS 136 18.503 8.214 12.388 1066 HE2 HIS 136 HE2 HIS 136 17.157 10.133 13.305 1067 H HIS 137 HN HIS 137 22.108 15.232 12.344 1068 HA HIS 137 HA HIS 137 24.608 15.143 13.805 1069 1HB HIS 137 HB2 HIS 137 25.321 14.746 11.484 1070 2HB HIS 137 HB1 HIS 137 24.486 16.211 10.974 1071 HD1 HIS 137 HD1 HIS 137 26.678 15.955 14.052 1072 HD2 HIS 137 HD2 HIS 137 26.689 17.692 10.271 1073 HE1 HIS 137 HE1 HIS 137 28.680 17.471 14.007 1074 HE2 HIS 137 HE2 HIS 137 28.553 18.657 11.791 1075 H HIS 138 HN HIS 138 23.269 16.270 15.284 1076 HA HIS 138 HA HIS 138 23.597 19.118 14.973 1077 1HB HIS 138 HB2 HIS 138 21.269 18.454 14.004 1078 2HB HIS 138 HB1 HIS 138 20.818 18.189 15.685 1079 HD1 HIS 138 HD1 HIS 138 21.481 20.853 13.188 1080 HD2 HIS 138 HD2 HIS 138 20.679 20.557 17.259 1081 HE1 HIS 138 HE1 HIS 138 20.938 23.189 13.947 1082 HE2 HIS 138 HE2 HIS 138 20.717 23.010 16.450 1083 H HIS 139 HN HIS 139 24.568 16.896 16.572 1084 HA HIS 139 HA HIS 139 23.970 17.973 19.225 1085 1HB HIS 139 HB2 HIS 139 23.711 15.104 18.378 1086 2HB HIS 139 HB1 HIS 139 24.191 15.490 20.025 1087 HD1 HIS 139 HD1 HIS 139 22.386 16.139 21.636 1088 HD2 HIS 139 HD2 HIS 139 21.050 16.033 17.696 1089 HE1 HIS 139 HE1 HIS 139 19.887 16.394 21.756 1090 HE2 HIS 139 HE2 HIS 139 19.084 16.109 19.387 Start of MODEL 14 1 1H MET 1 HT1 MET 1 13.566 -9.832 20.013 2 2H MET 1 HT2 MET 1 12.726 -9.243 18.662 3 3H MET 1 HT3 MET 1 12.242 -8.790 20.219 4 HA MET 1 HA MET 1 13.409 -6.990 19.200 5 1HB MET 1 HB2 MET 1 15.067 -8.390 21.311 6 2HB MET 1 HB1 MET 1 15.242 -6.702 20.849 7 1HG MET 1 HG2 MET 1 12.955 -6.265 21.599 8 2HG MET 1 HG1 MET 1 12.796 -7.955 22.075 9 1HE MET 1 HE1 MET 1 15.427 -8.225 24.970 10 2HE MET 1 HE2 MET 1 15.628 -8.615 23.261 11 3HE MET 1 HE3 MET 1 14.143 -9.064 24.099 12 H GLY 2 HN GLY 2 14.274 -6.916 17.223 13 1HA GLY 2 HA2 GLY 2 16.853 -8.296 16.831 14 2HA GLY 2 HA1 GLY 2 15.668 -8.101 15.546 15 H ASP 3 HN ASP 3 16.115 -6.540 14.163 16 HA ASP 3 HA ASP 3 18.003 -4.453 14.916 17 1HB ASP 3 HB2 ASP 3 17.965 -5.800 12.676 18 2HB ASP 3 HB1 ASP 3 16.700 -4.667 12.213 19 H LYS 4 HN LYS 4 17.194 -2.322 13.358 20 HA LYS 4 HA LYS 4 14.982 -1.336 14.988 21 1HB LYS 4 HB2 LYS 4 16.789 0.111 13.039 22 2HB LYS 4 HB1 LYS 4 15.581 0.874 14.058 23 1HG LYS 4 HG2 LYS 4 18.063 -0.559 14.988 24 2HG LYS 4 HG1 LYS 4 17.787 1.182 14.987 25 1HD LYS 4 HD2 LYS 4 17.160 0.853 17.121 26 2HD LYS 4 HD1 LYS 4 15.641 0.308 16.408 27 1HE LYS 4 HE2 LYS 4 16.350 -1.326 18.012 28 2HE LYS 4 HE1 LYS 4 16.552 -2.010 16.398 29 1HZ LYS 4 HZ1 LYS 4 18.668 -0.917 18.168 30 2HZ LYS 4 HZ2 LYS 4 18.931 -1.316 16.542 31 3HZ LYS 4 HZ3 LYS 4 18.491 -2.520 17.649 32 H GLU 5 HN GLU 5 13.099 -0.405 14.103 33 HA GLU 5 HA GLU 5 12.511 -1.359 11.387 34 1HB GLU 5 HB2 GLU 5 10.067 -1.049 12.205 35 2HB GLU 5 HB1 GLU 5 10.981 -2.454 12.731 36 1HG GLU 5 HG2 GLU 5 11.512 -1.214 14.833 37 2HG GLU 5 HG1 GLU 5 10.386 0.038 14.303 38 H GLU 6 HN GLU 6 12.532 0.110 9.901 39 HA GLU 6 HA GLU 6 11.982 2.915 10.613 40 1HB GLU 6 HB2 GLU 6 13.533 1.818 8.254 41 2HB GLU 6 HB1 GLU 6 13.344 3.514 8.672 42 1HG GLU 6 HG2 GLU 6 14.727 1.465 10.391 43 2HG GLU 6 HG1 GLU 6 15.540 2.582 9.297 44 H SER 7 HN SER 7 10.794 4.188 9.040 45 HA SER 7 HA SER 7 8.929 2.512 7.495 46 1HB SER 7 HB2 SER 7 8.279 5.139 8.851 47 2HB SER 7 HB1 SER 7 7.148 4.019 8.089 48 HG SER 7 HG SER 7 8.607 2.729 9.939 49 H LYS 8 HN LYS 8 9.159 2.811 5.374 50 HA LYS 8 HA LYS 8 9.672 5.563 4.425 51 1HB LYS 8 HB2 LYS 8 11.406 3.925 3.708 52 2HB LYS 8 HB1 LYS 8 10.151 2.975 2.917 53 1HG LYS 8 HG2 LYS 8 9.616 4.960 1.513 54 2HG LYS 8 HG1 LYS 8 11.002 5.781 2.227 55 1HD LYS 8 HD2 LYS 8 11.126 3.191 0.683 56 2HD LYS 8 HD1 LYS 8 11.486 4.783 0.018 57 1HE LYS 8 HE2 LYS 8 13.267 5.022 1.747 58 2HE LYS 8 HE1 LYS 8 12.963 3.348 2.214 59 1HZ LYS 8 HZ1 LYS 8 14.806 3.446 0.695 60 2HZ LYS 8 HZ2 LYS 8 13.890 4.296 -0.443 61 3HZ LYS 8 HZ3 LYS 8 13.504 2.687 -0.087 62 H LYS 9 HN LYS 9 7.955 6.514 3.711 63 HA LYS 9 HA LYS 9 5.688 4.977 2.688 64 1HB LYS 9 HB2 LYS 9 5.435 6.750 4.480 65 2HB LYS 9 HB1 LYS 9 5.901 7.936 3.274 66 1HG LYS 9 HG2 LYS 9 3.927 7.452 1.973 67 2HG LYS 9 HG1 LYS 9 3.482 6.154 3.088 68 1HD LYS 9 HD2 LYS 9 3.342 7.805 4.914 69 2HD LYS 9 HD1 LYS 9 3.718 9.086 3.765 70 1HE LYS 9 HE2 LYS 9 1.355 9.048 4.145 71 2HE LYS 9 HE1 LYS 9 1.678 8.494 2.503 72 1HZ LYS 9 HZ1 LYS 9 0.011 7.113 3.570 73 2HZ LYS 9 HZ2 LYS 9 1.068 6.758 4.841 74 3HZ LYS 9 HZ3 LYS 9 1.409 6.204 3.281 75 H PHE 10 HN PHE 10 5.088 5.125 0.514 76 HA PHE 10 HA PHE 10 6.396 7.244 -1.040 77 1HB PHE 10 HB2 PHE 10 6.889 5.852 -2.871 78 2HB PHE 10 HB1 PHE 10 7.400 4.923 -1.472 79 HD1 PHE 10 HD1 PHE 10 4.763 5.272 -4.033 80 HD2 PHE 10 HD2 PHE 10 6.471 2.801 -1.019 81 HE1 PHE 10 HE1 PHE 10 3.426 3.376 -4.840 82 HE2 PHE 10 HE2 PHE 10 5.132 0.898 -1.821 83 HZ PHE 10 HZ PHE 10 3.606 1.188 -3.737 84 H SER 11 HN SER 11 5.145 7.958 -2.907 85 HA SER 11 HA SER 11 2.304 7.290 -2.646 86 1HB SER 11 HB2 SER 11 1.645 9.568 -2.451 87 2HB SER 11 HB1 SER 11 2.939 9.346 -1.291 88 HG SER 11 HG SER 11 3.147 11.267 -2.574 89 H ALA 12 HN ALA 12 1.297 7.066 -4.518 90 HA ALA 12 HA ALA 12 2.307 8.491 -6.871 91 1HB ALA 12 HB1 ALA 12 3.226 6.221 -6.984 92 2HB ALA 12 HB2 ALA 12 2.050 6.504 -8.267 93 3HB ALA 12 HB3 ALA 12 1.600 5.555 -6.850 94 H ASN 13 HN ASN 13 0.634 9.843 -7.184 95 HA ASN 13 HA ASN 13 -2.095 8.922 -6.923 96 1HB ASN 13 HB2 ASN 13 -1.497 11.240 -6.294 97 2HB ASN 13 HB1 ASN 13 -1.026 11.564 -7.958 98 1HD2 ASN 13 HD21 ASN 13 -3.092 12.759 -6.194 99 2HD2 ASN 13 HD22 ASN 13 -4.564 12.652 -7.094 100 H LEU 14 HN LEU 14 -2.665 7.495 -8.420 101 HA LEU 14 HA LEU 14 -2.152 8.221 -11.219 102 1HB LEU 14 HB2 LEU 14 -2.461 5.677 -11.597 103 2HB LEU 14 HB1 LEU 14 -0.932 6.284 -10.998 104 HG LEU 14 HG LEU 14 -2.152 5.738 -8.654 105 1HD1 LEU 14 HD11 LEU 14 -4.166 4.860 -9.683 106 2HD1 LEU 14 HD12 LEU 14 -3.289 3.579 -8.845 107 3HD1 LEU 14 HD13 LEU 14 -3.210 3.697 -10.603 108 1HD2 LEU 14 HD21 LEU 14 -0.852 3.657 -8.644 109 2HD2 LEU 14 HD22 LEU 14 0.066 5.009 -9.307 110 3HD2 LEU 14 HD23 LEU 14 -0.626 3.799 -10.388 111 H ASN 15 HN ASN 15 -3.872 8.998 -12.118 112 HA ASN 15 HA ASN 15 -5.983 9.227 -12.913 113 1HB ASN 15 HB2 ASN 15 -6.285 6.382 -11.932 114 2HB ASN 15 HB1 ASN 15 -7.482 7.227 -12.908 115 1HD2 ASN 15 HD21 ASN 15 -5.943 4.808 -13.484 116 2HD2 ASN 15 HD22 ASN 15 -5.092 5.123 -14.959 117 H GLY 16 HN GLY 16 -5.246 9.737 -10.017 118 1HA GLY 16 HA2 GLY 16 -6.617 11.053 -8.567 119 2HA GLY 16 HA1 GLY 16 -8.013 10.125 -9.100 120 H THR 17 HN THR 17 -5.951 7.760 -8.775 121 HA THR 17 HA THR 17 -6.691 7.223 -6.007 122 HB THR 17 HB THR 17 -5.336 5.411 -8.020 123 HG1 THR 17 HG1 THR 17 -7.777 6.274 -8.070 124 1HG2 THR 17 HG21 THR 17 -6.070 3.608 -6.504 125 2HG2 THR 17 HG22 THR 17 -6.649 4.823 -5.365 126 3HG2 THR 17 HG23 THR 17 -4.929 4.706 -5.730 127 H GLU 18 HN GLU 18 -5.323 8.245 -4.646 128 HA GLU 18 HA GLU 18 -2.494 8.399 -5.248 129 1HB GLU 18 HB2 GLU 18 -3.668 9.208 -2.610 130 2HB GLU 18 HB1 GLU 18 -2.311 9.908 -3.481 131 1HG GLU 18 HG2 GLU 18 -4.056 10.646 -5.209 132 2HG GLU 18 HG1 GLU 18 -5.242 10.276 -3.954 133 H ILE 19 HN ILE 19 -1.470 6.495 -5.035 134 HA ILE 19 HA ILE 19 -2.181 4.731 -2.828 135 HB ILE 19 HB ILE 19 -0.109 4.290 -4.988 136 1HG1 ILE 19 HG12 ILE 19 -3.010 3.439 -4.837 137 2HG1 ILE 19 HG11 ILE 19 -2.299 4.538 -6.011 138 1HG2 ILE 19 HG21 ILE 19 0.245 2.934 -2.999 139 2HG2 ILE 19 HG22 ILE 19 -0.305 1.931 -4.340 140 3HG2 ILE 19 HG23 ILE 19 -1.429 2.382 -3.060 141 1HD1 ILE 19 HD11 ILE 19 -1.678 1.609 -5.738 142 2HD1 ILE 19 HD12 ILE 19 -0.978 2.709 -6.927 143 3HD1 ILE 19 HD13 ILE 19 -2.705 2.346 -6.967 144 H ALA 20 HN ALA 20 -1.344 5.321 -0.956 145 HA ALA 20 HA ALA 20 1.493 6.096 -0.882 146 1HB ALA 20 HB1 ALA 20 0.876 7.114 1.348 147 2HB ALA 20 HB2 ALA 20 -0.809 6.859 0.898 148 3HB ALA 20 HB3 ALA 20 0.217 7.912 -0.078 149 H ILE 21 HN ILE 21 2.386 4.080 -0.697 150 HA ILE 21 HA ILE 21 1.430 2.337 1.442 151 HB ILE 21 HB ILE 21 3.543 1.823 -0.655 152 1HG1 ILE 21 HG12 ILE 21 0.683 0.861 -0.418 153 2HG1 ILE 21 HG11 ILE 21 1.318 1.958 -1.636 154 1HG2 ILE 21 HG21 ILE 21 3.993 0.560 1.369 155 2HG2 ILE 21 HG22 ILE 21 3.424 -0.519 0.094 156 3HG2 ILE 21 HG23 ILE 21 2.333 -0.033 1.392 157 1HD1 ILE 21 HD11 ILE 21 1.023 -0.260 -2.550 158 2HD1 ILE 21 HD12 ILE 21 2.061 -0.935 -1.293 159 3HD1 ILE 21 HD13 ILE 21 2.736 0.160 -2.499 160 H THR 22 HN THR 22 2.243 2.565 3.361 161 HA THR 22 HA THR 22 4.960 3.627 3.712 162 HB THR 22 HB THR 22 2.973 3.148 5.929 163 HG1 THR 22 HG1 THR 22 1.879 4.908 5.405 164 1HG2 THR 22 HG21 THR 22 4.198 4.984 7.003 165 2HG2 THR 22 HG22 THR 22 5.226 5.130 5.577 166 3HG2 THR 22 HG23 THR 22 5.280 3.664 6.555 167 H TYR 23 HN TYR 23 6.270 1.803 3.453 168 HA TYR 23 HA TYR 23 5.466 -0.553 4.984 169 1HB TYR 23 HB2 TYR 23 7.215 -1.781 3.669 170 2HB TYR 23 HB1 TYR 23 5.852 -1.180 2.741 171 HD1 TYR 23 HD1 TYR 23 9.445 -0.822 3.388 172 HD2 TYR 23 HD2 TYR 23 6.151 0.513 1.053 173 HE1 TYR 23 HE1 TYR 23 11.004 0.225 1.800 174 HE2 TYR 23 HE2 TYR 23 7.695 1.565 -0.542 175 HH TYR 23 HH TYR 23 11.030 0.941 -0.568 176 H VAL 24 HN VAL 24 6.466 -1.261 6.656 177 HA VAL 24 HA VAL 24 8.761 0.236 7.673 178 HB VAL 24 HB VAL 24 6.878 -1.697 9.043 179 1HG1 VAL 24 HG11 VAL 24 9.074 -1.909 10.037 180 2HG1 VAL 24 HG12 VAL 24 8.010 -1.031 11.134 181 3HG1 VAL 24 HG13 VAL 24 9.211 -0.157 10.184 182 1HG2 VAL 24 HG21 VAL 24 6.144 0.279 10.281 183 2HG2 VAL 24 HG22 VAL 24 5.890 0.473 8.547 184 3HG2 VAL 24 HG23 VAL 24 7.247 1.279 9.336 185 H TYR 25 HN TYR 25 10.705 -0.585 7.579 186 HA TYR 25 HA TYR 25 10.991 -3.484 7.176 187 1HB TYR 25 HB2 TYR 25 12.970 -2.977 5.757 188 2HB TYR 25 HB1 TYR 25 11.472 -2.349 5.083 189 HD1 TYR 25 HD1 TYR 25 14.769 -1.531 6.342 190 HD2 TYR 25 HD2 TYR 25 11.011 0.106 5.191 191 HE1 TYR 25 HE1 TYR 25 15.798 0.694 6.162 192 HE2 TYR 25 HE2 TYR 25 12.033 2.334 5.008 193 HH TYR 25 HH TYR 25 15.408 2.807 5.025 194 H LYS 26 HN LYS 26 12.797 -4.461 8.098 195 HA LYS 26 HA LYS 26 14.271 -2.853 10.075 196 1HB LYS 26 HB2 LYS 26 13.347 -5.705 10.517 197 2HB LYS 26 HB1 LYS 26 14.123 -4.646 11.689 198 1HG LYS 26 HG2 LYS 26 12.159 -3.156 11.595 199 2HG LYS 26 HG1 LYS 26 11.381 -4.294 10.498 200 1HD LYS 26 HD2 LYS 26 10.500 -4.738 12.642 201 2HD LYS 26 HD1 LYS 26 11.651 -6.032 12.310 202 1HE LYS 26 HE2 LYS 26 13.181 -5.245 13.847 203 2HE LYS 26 HE1 LYS 26 12.560 -3.594 13.774 204 1HZ LYS 26 HZ1 LYS 26 11.140 -5.899 15.008 205 2HZ LYS 26 HZ2 LYS 26 10.599 -4.291 14.969 206 3HZ LYS 26 HZ3 LYS 26 11.982 -4.695 15.860 207 H GLY 27 HN GLY 27 16.249 -2.747 9.206 208 1HA GLY 27 HA2 GLY 27 18.287 -3.518 8.381 209 2HA GLY 27 HA1 GLY 27 17.642 -5.157 8.397 210 H ASP 28 HN ASP 28 17.362 -6.035 6.456 211 HA ASP 28 HA ASP 28 16.684 -4.241 4.213 212 1HB ASP 28 HB2 ASP 28 18.408 -6.709 4.258 213 2HB ASP 28 HB1 ASP 28 17.670 -6.133 2.767 214 H LYS 29 HN LYS 29 15.274 -6.237 6.261 215 HA LYS 29 HA LYS 29 13.552 -7.516 4.255 216 1HB LYS 29 HB2 LYS 29 14.439 -8.705 6.431 217 2HB LYS 29 HB1 LYS 29 13.151 -7.804 7.216 218 1HG LYS 29 HG2 LYS 29 11.752 -8.840 5.199 219 2HG LYS 29 HG1 LYS 29 13.000 -10.077 5.333 220 1HD LYS 29 HD2 LYS 29 11.069 -9.161 7.456 221 2HD LYS 29 HD1 LYS 29 11.164 -10.749 6.696 222 1HE LYS 29 HE2 LYS 29 13.472 -10.955 7.690 223 2HE LYS 29 HE1 LYS 29 13.113 -9.500 8.618 224 1HZ LYS 29 HZ1 LYS 29 11.926 -12.181 8.833 225 2HZ LYS 29 HZ2 LYS 29 11.016 -10.837 9.308 226 3HZ LYS 29 HZ3 LYS 29 12.500 -11.166 10.062 227 H VAL 30 HN VAL 30 11.470 -6.833 3.929 228 HA VAL 30 HA VAL 30 10.554 -4.551 5.523 229 HB VAL 30 HB VAL 30 9.178 -5.697 3.092 230 1HG1 VAL 30 HG11 VAL 30 7.836 -4.233 4.498 231 2HG1 VAL 30 HG12 VAL 30 8.189 -3.464 2.951 232 3HG1 VAL 30 HG13 VAL 30 9.075 -2.983 4.397 233 1HG2 VAL 30 HG21 VAL 30 10.284 -3.962 1.758 234 2HG2 VAL 30 HG22 VAL 30 11.446 -5.104 2.432 235 3HG2 VAL 30 HG23 VAL 30 11.254 -3.509 3.159 236 H LEU 31 HN LEU 31 9.034 -4.849 7.070 237 HA LEU 31 HA LEU 31 8.013 -7.600 7.306 238 1HB LEU 31 HB2 LEU 31 8.684 -5.605 9.465 239 2HB LEU 31 HB1 LEU 31 7.914 -7.151 9.760 240 HG LEU 31 HG LEU 31 9.989 -8.173 8.616 241 1HD1 LEU 31 HD11 LEU 31 10.906 -6.134 7.700 242 2HD1 LEU 31 HD12 LEU 31 12.031 -6.866 8.844 243 3HD1 LEU 31 HD13 LEU 31 11.076 -5.462 9.321 244 1HD2 LEU 31 HD21 LEU 31 10.208 -6.852 11.311 245 2HD2 LEU 31 HD22 LEU 31 11.235 -8.158 10.717 246 3HD2 LEU 31 HD23 LEU 31 9.512 -8.438 10.973 247 H LYS 32 HN LYS 32 7.071 -4.302 7.091 248 HA LYS 32 HA LYS 32 4.287 -5.190 7.300 249 1HB LYS 32 HB2 LYS 32 5.469 -2.812 8.733 250 2HB LYS 32 HB1 LYS 32 3.748 -2.953 8.408 251 1HG LYS 32 HG2 LYS 32 3.673 -5.018 9.712 252 2HG LYS 32 HG1 LYS 32 5.399 -4.864 10.044 253 1HD LYS 32 HD2 LYS 32 5.030 -2.794 11.230 254 2HD LYS 32 HD1 LYS 32 3.319 -2.815 10.796 255 1HE LYS 32 HE2 LYS 32 2.989 -4.834 12.100 256 2HE LYS 32 HE1 LYS 32 4.708 -4.895 12.482 257 1HZ LYS 32 HZ1 LYS 32 3.403 -3.968 14.299 258 2HZ LYS 32 HZ2 LYS 32 2.844 -2.723 13.289 259 3HZ LYS 32 HZ3 LYS 32 4.492 -2.820 13.683 260 H GLN 33 HN GLN 33 3.329 -4.772 5.463 261 HA GLN 33 HA GLN 33 4.218 -2.442 3.907 262 1HB GLN 33 HB2 GLN 33 4.416 -4.646 2.795 263 2HB GLN 33 HB1 GLN 33 2.689 -4.888 2.993 264 1HG GLN 33 HG2 GLN 33 2.214 -3.053 1.515 265 2HG GLN 33 HG1 GLN 33 3.929 -2.659 1.399 266 1HE2 GLN 33 HE21 GLN 33 1.990 -3.399 -0.674 267 2HE2 GLN 33 HE22 GLN 33 2.656 -4.774 -1.477 268 H SER 34 HN SER 34 2.982 -0.870 4.898 269 HA SER 34 HA SER 34 0.122 -1.272 5.136 270 1HB SER 34 HB2 SER 34 1.712 1.248 5.674 271 2HB SER 34 HB1 SER 34 0.075 0.883 6.224 272 HG SER 34 HG SER 34 2.520 0.008 7.195 273 H SER 35 HN SER 35 -0.834 -1.308 3.201 274 HA SER 35 HA SER 35 -0.068 0.681 1.203 275 1HB SER 35 HB2 SER 35 -1.545 -0.739 -0.301 276 2HB SER 35 HB1 SER 35 -0.112 -1.554 0.326 277 HG SER 35 HG SER 35 -2.675 -1.713 1.529 278 H GLU 36 HN GLU 36 -1.043 2.514 1.762 279 HA GLU 36 HA GLU 36 -3.895 2.449 2.431 280 1HB GLU 36 HB2 GLU 36 -2.649 3.319 4.229 281 2HB GLU 36 HB1 GLU 36 -1.634 4.266 3.172 282 1HG GLU 36 HG2 GLU 36 -3.506 5.763 2.710 283 2HG GLU 36 HG1 GLU 36 -4.531 4.790 3.768 284 H THR 37 HN THR 37 -5.030 2.757 0.670 285 HA THR 37 HA THR 37 -4.034 4.493 -1.463 286 HB THR 37 HB THR 37 -6.173 3.474 -2.602 287 HG1 THR 37 HG1 THR 37 -7.068 2.401 -0.880 288 1HG2 THR 37 HG21 THR 37 -3.842 3.036 -3.263 289 2HG2 THR 37 HG22 THR 37 -4.843 1.591 -3.387 290 3HG2 THR 37 HG23 THR 37 -3.736 1.785 -2.028 291 H LYS 38 HN LYS 38 -4.613 6.552 -1.333 292 HA LYS 38 HA LYS 38 -7.173 7.320 -0.192 293 1HB LYS 38 HB2 LYS 38 -5.209 8.660 0.365 294 2HB LYS 38 HB1 LYS 38 -4.924 8.982 -1.336 295 1HG LYS 38 HG2 LYS 38 -6.809 10.382 -1.499 296 2HG LYS 38 HG1 LYS 38 -7.452 9.824 0.050 297 1HD LYS 38 HD2 LYS 38 -5.649 10.877 1.229 298 2HD LYS 38 HD1 LYS 38 -4.857 11.320 -0.275 299 1HE LYS 38 HE2 LYS 38 -7.585 12.302 0.531 300 2HE LYS 38 HE1 LYS 38 -6.095 13.170 0.891 301 1HZ LYS 38 HZ1 LYS 38 -7.269 12.607 -1.767 302 2HZ LYS 38 HZ2 LYS 38 -5.664 13.099 -1.582 303 3HZ LYS 38 HZ3 LYS 38 -6.928 14.112 -1.068 304 H ILE 39 HN ILE 39 -8.608 6.449 -1.632 305 HA ILE 39 HA ILE 39 -8.364 7.018 -4.467 306 HB ILE 39 HB ILE 39 -10.574 5.542 -3.022 307 1HG1 ILE 39 HG12 ILE 39 -8.116 4.406 -4.377 308 2HG1 ILE 39 HG11 ILE 39 -8.338 4.520 -2.635 309 1HG2 ILE 39 HG21 ILE 39 -11.011 4.556 -5.227 310 2HG2 ILE 39 HG22 ILE 39 -9.735 5.554 -5.922 311 3HG2 ILE 39 HG23 ILE 39 -11.178 6.312 -5.252 312 1HD1 ILE 39 HD11 ILE 39 -10.213 2.994 -2.753 313 2HD1 ILE 39 HD12 ILE 39 -8.782 2.274 -3.491 314 3HD1 ILE 39 HD13 ILE 39 -10.068 2.923 -4.508 315 H GLN 40 HN GLN 40 -9.066 8.924 -5.191 316 HA GLN 40 HA GLN 40 -11.029 10.470 -3.800 317 1HB GLN 40 HB2 GLN 40 -9.987 10.804 -6.624 318 2HB GLN 40 HB1 GLN 40 -10.897 12.000 -5.713 319 1HG GLN 40 HG2 GLN 40 -8.093 11.033 -5.223 320 2HG GLN 40 HG1 GLN 40 -8.626 12.656 -5.651 321 1HE2 GLN 40 HE21 GLN 40 -8.107 10.391 -3.113 322 2HE2 GLN 40 HE22 GLN 40 -8.553 11.424 -1.804 323 H PHE 41 HN PHE 41 -13.187 10.831 -4.379 324 HA PHE 41 HA PHE 41 -14.580 8.583 -5.333 325 1HB PHE 41 HB2 PHE 41 -15.350 11.390 -4.658 326 2HB PHE 41 HB1 PHE 41 -16.510 10.371 -5.500 327 HD1 PHE 41 HD1 PHE 41 -18.019 10.609 -3.581 328 HD2 PHE 41 HD2 PHE 41 -14.200 8.770 -3.200 329 HE1 PHE 41 HE1 PHE 41 -18.716 9.613 -1.443 330 HE2 PHE 41 HE2 PHE 41 -14.891 7.773 -1.060 331 HZ PHE 41 HZ PHE 41 -17.152 8.193 -0.179 332 H ALA 42 HN ALA 42 -13.208 11.255 -7.018 333 HA ALA 42 HA ALA 42 -14.755 11.183 -9.368 334 1HB ALA 42 HB1 ALA 42 -12.895 12.355 -10.421 335 2HB ALA 42 HB2 ALA 42 -11.853 11.948 -9.058 336 3HB ALA 42 HB3 ALA 42 -13.230 13.024 -8.823 337 H SER 43 HN SER 43 -12.130 9.173 -8.223 338 HA SER 43 HA SER 43 -11.532 8.003 -10.770 339 1HB SER 43 HB2 SER 43 -10.853 6.946 -8.012 340 2HB SER 43 HB1 SER 43 -10.061 6.532 -9.532 341 HG SER 43 HG SER 43 -9.221 8.579 -9.658 342 H ILE 44 HN ILE 44 -13.391 7.001 -7.919 343 HA ILE 44 HA ILE 44 -14.140 4.490 -9.074 344 HB ILE 44 HB ILE 44 -14.034 4.635 -6.673 345 1HG1 ILE 44 HG12 ILE 44 -16.896 4.352 -7.612 346 2HG1 ILE 44 HG11 ILE 44 -15.679 3.078 -7.597 347 1HG2 ILE 44 HG21 ILE 44 -16.214 6.707 -6.843 348 2HG2 ILE 44 HG22 ILE 44 -14.530 7.003 -6.411 349 3HG2 ILE 44 HG23 ILE 44 -15.550 6.019 -5.361 350 1HD1 ILE 44 HD11 ILE 44 -17.227 2.857 -5.742 351 2HD1 ILE 44 HD12 ILE 44 -16.803 4.474 -5.181 352 3HD1 ILE 44 HD13 ILE 44 -15.593 3.191 -5.165 353 H GLY 45 HN GLY 45 -15.449 7.704 -9.012 354 1HA GLY 45 HA2 GLY 45 -16.993 8.537 -10.576 355 2HA GLY 45 HA1 GLY 45 -17.468 6.886 -10.955 356 H ALA 46 HN ALA 46 -17.213 8.207 -7.730 357 HA ALA 46 HA ALA 46 -20.150 8.076 -7.504 358 1HB ALA 46 HB1 ALA 46 -19.089 6.197 -6.336 359 2HB ALA 46 HB2 ALA 46 -19.902 7.289 -5.216 360 3HB ALA 46 HB3 ALA 46 -18.146 7.335 -5.373 361 H THR 47 HN THR 47 -21.048 9.461 -5.805 362 HA THR 47 HA THR 47 -19.333 11.749 -5.114 363 HB THR 47 HB THR 47 -22.263 11.933 -5.865 364 HG1 THR 47 HG1 THR 47 -20.525 13.278 -7.475 365 1HG2 THR 47 HG21 THR 47 -20.203 14.078 -5.325 366 2HG2 THR 47 HG22 THR 47 -21.546 13.643 -4.266 367 3HG2 THR 47 HG23 THR 47 -21.865 14.354 -5.849 368 H THR 48 HN THR 48 -21.989 9.629 -4.275 369 HA THR 48 HA THR 48 -22.191 10.761 -1.607 370 HB THR 48 HB THR 48 -23.934 8.813 -1.438 371 HG1 THR 48 HG1 THR 48 -24.745 8.769 -3.856 372 1HG2 THR 48 HG21 THR 48 -24.515 11.184 -1.443 373 2HG2 THR 48 HG22 THR 48 -25.645 10.268 -2.439 374 3HG2 THR 48 HG23 THR 48 -24.377 11.227 -3.200 375 H LYS 49 HN LYS 49 -21.859 9.539 0.272 376 HA LYS 49 HA LYS 49 -19.444 8.117 0.234 377 1HB LYS 49 HB2 LYS 49 -20.038 9.439 2.126 378 2HB LYS 49 HB1 LYS 49 -21.536 8.560 2.358 379 1HG LYS 49 HG2 LYS 49 -18.986 7.055 2.588 380 2HG LYS 49 HG1 LYS 49 -19.426 8.167 3.886 381 1HD LYS 49 HD2 LYS 49 -21.048 5.839 2.856 382 2HD LYS 49 HD1 LYS 49 -20.250 5.968 4.424 383 1HE LYS 49 HE2 LYS 49 -21.723 7.786 5.060 384 2HE LYS 49 HE1 LYS 49 -22.478 7.763 3.467 385 1HZ LYS 49 HZ1 LYS 49 -23.897 6.594 4.933 386 2HZ LYS 49 HZ2 LYS 49 -22.625 5.679 5.574 387 3HZ LYS 49 HZ3 LYS 49 -23.137 5.418 3.983 388 H GLU 50 HN GLU 50 -22.800 6.965 0.511 389 HA GLU 50 HA GLU 50 -21.907 4.273 1.056 390 1HB GLU 50 HB2 GLU 50 -24.346 3.686 0.890 391 2HB GLU 50 HB1 GLU 50 -23.931 4.851 2.136 392 1HG GLU 50 HG2 GLU 50 -24.920 5.720 -0.555 393 2HG GLU 50 HG1 GLU 50 -26.026 5.262 0.741 394 H ASP 51 HN ASP 51 -22.601 6.106 -1.768 395 HA ASP 51 HA ASP 51 -23.095 3.813 -3.437 396 1HB ASP 51 HB2 ASP 51 -22.709 6.729 -3.936 397 2HB ASP 51 HB1 ASP 51 -22.493 5.606 -5.277 398 H ALA 52 HN ALA 52 -20.339 5.514 -2.272 399 HA ALA 52 HA ALA 52 -18.505 4.236 -4.095 400 1HB ALA 52 HB1 ALA 52 -17.993 5.711 -1.511 401 2HB ALA 52 HB2 ALA 52 -17.937 6.403 -3.132 402 3HB ALA 52 HB3 ALA 52 -16.758 5.182 -2.653 403 H ALA 53 HN ALA 53 -19.703 3.785 -0.830 404 HA ALA 53 HA ALA 53 -18.025 1.729 0.016 405 1HB ALA 53 HB1 ALA 53 -19.556 2.949 1.497 406 2HB ALA 53 HB2 ALA 53 -19.742 1.201 1.648 407 3HB ALA 53 HB3 ALA 53 -20.925 2.139 0.735 408 H LYS 54 HN LYS 54 -20.998 1.622 -1.876 409 HA LYS 54 HA LYS 54 -21.535 -1.081 -1.928 410 1HB LYS 54 HB2 LYS 54 -21.770 0.942 -4.158 411 2HB LYS 54 HB1 LYS 54 -22.459 -0.674 -4.225 412 1HG LYS 54 HG2 LYS 54 -23.894 -0.165 -2.339 413 2HG LYS 54 HG1 LYS 54 -23.162 1.435 -2.194 414 1HD LYS 54 HD2 LYS 54 -23.983 2.029 -4.407 415 2HD LYS 54 HD1 LYS 54 -24.671 0.415 -4.601 416 1HE LYS 54 HE2 LYS 54 -26.404 1.987 -3.981 417 2HE LYS 54 HE1 LYS 54 -26.142 0.831 -2.677 418 1HZ LYS 54 HZ1 LYS 54 -25.107 3.617 -2.786 419 2HZ LYS 54 HZ2 LYS 54 -24.780 2.499 -1.547 420 3HZ LYS 54 HZ3 LYS 54 -26.366 3.046 -1.801 421 H THR 55 HN THR 55 -19.024 0.670 -3.640 422 HA THR 55 HA THR 55 -18.366 -1.689 -5.226 423 HB THR 55 HB THR 55 -17.116 1.052 -5.395 424 HG1 THR 55 HG1 THR 55 -19.533 0.017 -6.441 425 1HG2 THR 55 HG21 THR 55 -15.855 -0.723 -6.498 426 2HG2 THR 55 HG22 THR 55 -16.587 0.349 -7.693 427 3HG2 THR 55 HG23 THR 55 -17.305 -1.228 -7.367 428 H LEU 56 HN LEU 56 -17.079 0.280 -2.607 429 HA LEU 56 HA LEU 56 -14.436 -0.885 -2.920 430 1HB LEU 56 HB2 LEU 56 -15.382 1.107 -0.873 431 2HB LEU 56 HB1 LEU 56 -13.720 0.648 -1.198 432 HG LEU 56 HG LEU 56 -15.539 2.089 -3.130 433 1HD1 LEU 56 HD11 LEU 56 -13.185 3.087 -1.532 434 2HD1 LEU 56 HD12 LEU 56 -14.878 3.480 -1.234 435 3HD1 LEU 56 HD13 LEU 56 -14.101 4.011 -2.725 436 1HD2 LEU 56 HD21 LEU 56 -12.612 1.387 -3.330 437 2HD2 LEU 56 HD22 LEU 56 -13.529 2.350 -4.488 438 3HD2 LEU 56 HD23 LEU 56 -13.917 0.646 -4.254 439 H GLU 57 HN GLU 57 -17.208 -1.292 -0.815 440 HA GLU 57 HA GLU 57 -15.889 -2.512 1.340 441 1HB GLU 57 HB2 GLU 57 -18.689 -2.853 0.293 442 2HB GLU 57 HB1 GLU 57 -18.112 -3.686 1.731 443 1HG GLU 57 HG2 GLU 57 -17.555 -1.484 2.714 444 2HG GLU 57 HG1 GLU 57 -18.290 -0.713 1.313 445 HA PRO 58 HA PRO 58 -16.367 -6.767 -0.951 446 1HB PRO 58 HB2 PRO 58 -16.767 -6.639 -3.647 447 2HB PRO 58 HB1 PRO 58 -18.076 -6.822 -2.476 448 1HG PRO 58 HG2 PRO 58 -17.116 -4.360 -3.872 449 2HG PRO 58 HG1 PRO 58 -18.777 -4.889 -3.548 450 1HD PRO 58 HD2 PRO 58 -17.546 -3.005 -2.054 451 2HD PRO 58 HD1 PRO 58 -18.723 -4.139 -1.363 452 H LEU 59 HN LEU 59 -14.807 -3.930 -1.980 453 HA LEU 59 HA LEU 59 -12.723 -5.143 -3.538 454 1HB LEU 59 HB2 LEU 59 -13.312 -2.800 -3.853 455 2HB LEU 59 HB1 LEU 59 -12.921 -2.450 -2.183 456 HG LEU 59 HG LEU 59 -10.534 -3.181 -2.765 457 1HD1 LEU 59 HD11 LEU 59 -9.915 -2.954 -5.109 458 2HD1 LEU 59 HD12 LEU 59 -11.613 -2.742 -5.539 459 3HD1 LEU 59 HD13 LEU 59 -11.057 -4.277 -4.872 460 1HD2 LEU 59 HD21 LEU 59 -11.174 -0.866 -2.343 461 2HD2 LEU 59 HD22 LEU 59 -11.685 -0.692 -4.022 462 3HD2 LEU 59 HD23 LEU 59 -9.985 -0.967 -3.641 463 H SER 60 HN SER 60 -12.911 -3.751 -0.275 464 HA SER 60 HA SER 60 -10.309 -4.487 0.525 465 1HB SER 60 HB2 SER 60 -12.632 -4.117 2.406 466 2HB SER 60 HB1 SER 60 -10.939 -3.673 2.644 467 HG SER 60 HG SER 60 -11.335 -1.819 1.754 468 H ALA 61 HN ALA 61 -13.386 -6.141 0.615 469 HA ALA 61 HA ALA 61 -12.783 -8.095 2.550 470 1HB ALA 61 HB1 ALA 61 -14.737 -9.278 1.691 471 2HB ALA 61 HB2 ALA 61 -14.758 -8.222 0.277 472 3HB ALA 61 HB3 ALA 61 -15.059 -7.555 1.881 473 H LYS 62 HN LYS 62 -11.305 -7.711 -0.378 474 HA LYS 62 HA LYS 62 -11.188 -10.486 -1.133 475 1HB LYS 62 HB2 LYS 62 -9.759 -8.053 -2.197 476 2HB LYS 62 HB1 LYS 62 -9.541 -9.676 -2.845 477 1HG LYS 62 HG2 LYS 62 -11.964 -9.767 -3.327 478 2HG LYS 62 HG1 LYS 62 -12.106 -8.097 -2.778 479 1HD LYS 62 HD2 LYS 62 -10.654 -7.342 -4.543 480 2HD LYS 62 HD1 LYS 62 -10.324 -9.004 -5.035 481 1HE LYS 62 HE2 LYS 62 -11.934 -8.054 -6.544 482 2HE LYS 62 HE1 LYS 62 -12.727 -9.281 -5.559 483 1HZ LYS 62 HZ1 LYS 62 -14.184 -7.457 -5.630 484 2HZ LYS 62 HZ2 LYS 62 -12.950 -6.337 -5.342 485 3HZ LYS 62 HZ3 LYS 62 -13.461 -7.372 -4.099 486 H TYR 63 HN TYR 63 -9.458 -8.459 1.019 487 HA TYR 63 HA TYR 63 -7.153 -10.239 1.109 488 1HB TYR 63 HB2 TYR 63 -7.964 -7.987 2.975 489 2HB TYR 63 HB1 TYR 63 -6.442 -8.864 3.039 490 HD1 TYR 63 HD1 TYR 63 -4.640 -8.300 1.595 491 HD2 TYR 63 HD2 TYR 63 -8.445 -6.479 1.044 492 HE1 TYR 63 HE1 TYR 63 -3.634 -6.680 0.044 493 HE2 TYR 63 HE2 TYR 63 -7.451 -4.857 -0.512 494 HH TYR 63 HH TYR 63 -5.138 -3.868 -0.901 495 H LYS 64 HN LYS 64 -9.609 -9.189 3.436 496 HA LYS 64 HA LYS 64 -10.845 -10.280 4.979 497 1HB LYS 64 HB2 LYS 64 -11.632 -11.354 2.872 498 2HB LYS 64 HB1 LYS 64 -10.481 -12.650 3.146 499 1HG LYS 64 HG2 LYS 64 -11.659 -13.457 4.998 500 2HG LYS 64 HG1 LYS 64 -12.598 -11.974 5.157 501 1HD LYS 64 HD2 LYS 64 -13.816 -13.969 4.178 502 2HD LYS 64 HD1 LYS 64 -13.900 -12.474 3.249 503 1HE LYS 64 HE2 LYS 64 -11.738 -14.429 2.623 504 2HE LYS 64 HE1 LYS 64 -13.380 -14.790 2.094 505 1HZ LYS 64 HZ1 LYS 64 -13.418 -12.980 0.678 506 2HZ LYS 64 HZ2 LYS 64 -11.800 -13.476 0.541 507 3HZ LYS 64 HZ3 LYS 64 -12.201 -12.150 1.512 508 H ASN 65 HN ASN 65 -8.332 -9.999 5.756 509 HA ASN 65 HA ASN 65 -6.749 -10.687 7.223 510 1HB ASN 65 HB2 ASN 65 -8.887 -10.784 8.573 511 2HB ASN 65 HB1 ASN 65 -8.882 -12.525 8.311 512 1HD2 ASN 65 HD21 ASN 65 -7.241 -9.844 9.816 513 2HD2 ASN 65 HD22 ASN 65 -6.299 -10.784 10.927 514 H ILE 66 HN ILE 66 -6.089 -11.857 5.019 515 HA ILE 66 HA ILE 66 -5.821 -14.626 4.942 516 HB ILE 66 HB ILE 66 -3.776 -12.580 4.070 517 1HG1 ILE 66 HG12 ILE 66 -5.930 -13.880 2.407 518 2HG1 ILE 66 HG11 ILE 66 -6.144 -12.321 3.192 519 1HG2 ILE 66 HG21 ILE 66 -4.204 -15.429 3.176 520 2HG2 ILE 66 HG22 ILE 66 -2.864 -14.840 4.160 521 3HG2 ILE 66 HG23 ILE 66 -3.037 -14.298 2.490 522 1HD1 ILE 66 HD11 ILE 66 -5.562 -12.012 0.889 523 2HD1 ILE 66 HD12 ILE 66 -4.112 -12.999 1.085 524 3HD1 ILE 66 HD13 ILE 66 -4.242 -11.446 1.911 525 H ALA 67 HN ALA 67 -3.884 -12.226 6.614 526 HA ALA 67 HA ALA 67 -2.875 -14.263 8.428 527 1HB ALA 67 HB1 ALA 67 -0.992 -12.464 6.892 528 2HB ALA 67 HB2 ALA 67 -1.173 -14.203 6.663 529 3HB ALA 67 HB3 ALA 67 -0.537 -13.575 8.183 530 H GLY 68 HN GLY 68 -1.317 -11.196 8.023 531 1HA GLY 68 HA2 GLY 68 -2.791 -10.140 10.350 532 2HA GLY 68 HA1 GLY 68 -1.098 -9.786 10.018 533 H VAL 69 HN VAL 69 -3.470 -9.973 7.501 534 HA VAL 69 HA VAL 69 -2.917 -7.224 6.771 535 HB VAL 69 HB VAL 69 -4.352 -7.759 4.748 536 1HG1 VAL 69 HG11 VAL 69 -2.602 -9.050 3.656 537 2HG1 VAL 69 HG12 VAL 69 -1.932 -9.488 5.229 538 3HG1 VAL 69 HG13 VAL 69 -1.913 -7.805 4.699 539 1HG2 VAL 69 HG21 VAL 69 -5.622 -9.623 5.666 540 2HG2 VAL 69 HG22 VAL 69 -4.140 -10.559 5.850 541 3HG2 VAL 69 HG23 VAL 69 -4.719 -10.133 4.240 542 H GLU 70 HN GLU 70 -4.048 -5.716 7.728 543 HA GLU 70 HA GLU 70 -6.891 -6.199 8.307 544 1HB GLU 70 HB2 GLU 70 -5.115 -4.006 9.393 545 2HB GLU 70 HB1 GLU 70 -6.732 -4.423 9.940 546 1HG GLU 70 HG2 GLU 70 -4.314 -6.201 10.174 547 2HG GLU 70 HG1 GLU 70 -4.964 -5.192 11.464 548 H GLU 71 HN GLU 71 -8.186 -5.447 6.754 549 HA GLU 71 HA GLU 71 -7.367 -3.119 5.182 550 1HB GLU 71 HB2 GLU 71 -9.309 -3.683 3.741 551 2HB GLU 71 HB1 GLU 71 -8.155 -4.999 3.881 552 1HG GLU 71 HG2 GLU 71 -10.636 -4.862 5.564 553 2HG GLU 71 HG1 GLU 71 -10.627 -5.580 3.958 554 H LYS 72 HN LYS 72 -8.285 -1.140 5.373 555 HA LYS 72 HA LYS 72 -10.591 -0.876 7.177 556 1HB LYS 72 HB2 LYS 72 -8.022 0.688 7.502 557 2HB LYS 72 HB1 LYS 72 -9.483 0.885 8.462 558 1HG LYS 72 HG2 LYS 72 -9.235 -1.428 9.266 559 2HG LYS 72 HG1 LYS 72 -7.730 -1.559 8.358 560 1HD LYS 72 HD2 LYS 72 -6.797 0.295 9.680 561 2HD LYS 72 HD1 LYS 72 -8.295 0.366 10.610 562 1HE LYS 72 HE2 LYS 72 -6.378 -1.959 10.453 563 2HE LYS 72 HE1 LYS 72 -6.631 -0.892 11.835 564 1HZ LYS 72 HZ1 LYS 72 -8.928 -1.694 11.957 565 2HZ LYS 72 HZ2 LYS 72 -7.815 -2.960 12.140 566 3HZ LYS 72 HZ3 LYS 72 -8.635 -2.757 10.670 567 H LEU 73 HN LEU 73 -12.007 -0.042 5.787 568 HA LEU 73 HA LEU 73 -11.324 2.021 3.897 569 1HB LEU 73 HB2 LEU 73 -13.890 0.672 4.691 570 2HB LEU 73 HB1 LEU 73 -13.886 2.064 3.627 571 HG LEU 73 HG LEU 73 -12.387 -0.485 3.032 572 1HD1 LEU 73 HD11 LEU 73 -14.219 -0.991 1.494 573 2HD1 LEU 73 HD12 LEU 73 -15.100 0.424 2.074 574 3HD1 LEU 73 HD13 LEU 73 -14.784 -0.927 3.164 575 1HD2 LEU 73 HD21 LEU 73 -12.349 0.422 0.755 576 2HD2 LEU 73 HD22 LEU 73 -11.537 1.500 1.891 577 3HD2 LEU 73 HD23 LEU 73 -13.163 1.880 1.323 578 H THR 74 HN THR 74 -10.849 3.979 4.752 579 HA THR 74 HA THR 74 -12.716 5.067 6.751 580 HB THR 74 HB THR 74 -10.975 6.868 7.063 581 HG1 THR 74 HG1 THR 74 -9.549 5.136 5.318 582 1HG2 THR 74 HG21 THR 74 -9.498 5.463 8.433 583 2HG2 THR 74 HG22 THR 74 -10.129 4.025 7.629 584 3HG2 THR 74 HG23 THR 74 -11.191 5.014 8.632 585 H TYR 75 HN TYR 75 -14.339 6.127 5.847 586 HA TYR 75 HA TYR 75 -13.943 7.505 3.304 587 1HB TYR 75 HB2 TYR 75 -16.431 6.944 4.932 588 2HB TYR 75 HB1 TYR 75 -16.431 7.835 3.413 589 HD1 TYR 75 HD1 TYR 75 -16.435 6.698 1.343 590 HD2 TYR 75 HD2 TYR 75 -15.693 4.529 4.927 591 HE1 TYR 75 HE1 TYR 75 -16.623 4.586 0.098 592 HE2 TYR 75 HE2 TYR 75 -15.876 2.412 3.692 593 HH TYR 75 HH TYR 75 -16.817 1.537 1.665 594 H THR 76 HN THR 76 -13.625 9.638 3.167 595 HA THR 76 HA THR 76 -13.927 11.221 5.598 596 HB THR 76 HB THR 76 -12.677 12.140 3.020 597 HG1 THR 76 HG1 THR 76 -11.091 11.214 5.151 598 1HG2 THR 76 HG21 THR 76 -13.210 13.878 4.666 599 2HG2 THR 76 HG22 THR 76 -11.466 13.679 4.494 600 3HG2 THR 76 HG23 THR 76 -12.297 12.999 5.893 601 H ASP 77 HN ASP 77 -14.540 11.632 2.158 602 HA ASP 77 HA ASP 77 -17.230 12.362 2.336 603 1HB ASP 77 HB2 ASP 77 -16.494 14.378 3.490 604 2HB ASP 77 HB1 ASP 77 -15.333 14.723 2.212 605 H THR 78 HN THR 78 -14.515 13.833 0.587 606 HA THR 78 HA THR 78 -15.866 13.286 -1.937 607 HB THR 78 HB THR 78 -13.276 14.793 -1.583 608 HG1 THR 78 HG1 THR 78 -15.753 15.455 -0.630 609 1HG2 THR 78 HG21 THR 78 -13.949 14.249 -3.877 610 2HG2 THR 78 HG22 THR 78 -14.037 15.986 -3.583 611 3HG2 THR 78 HG23 THR 78 -15.512 15.019 -3.603 612 H TYR 79 HN TYR 79 -13.863 11.655 0.012 613 HA TYR 79 HA TYR 79 -12.865 9.947 -2.052 614 1HB TYR 79 HB2 TYR 79 -10.472 10.168 -1.336 615 2HB TYR 79 HB1 TYR 79 -11.107 11.569 -2.190 616 HD1 TYR 79 HD1 TYR 79 -9.718 10.333 0.934 617 HD2 TYR 79 HD2 TYR 79 -11.622 13.638 -0.948 618 HE1 TYR 79 HE1 TYR 79 -9.011 11.791 2.785 619 HE2 TYR 79 HE2 TYR 79 -10.921 15.101 0.892 620 HH TYR 79 HH TYR 79 -10.240 15.006 3.151 621 H ALA 80 HN ALA 80 -11.764 8.068 -1.177 622 HA ALA 80 HA ALA 80 -12.312 7.610 1.677 623 1HB ALA 80 HB1 ALA 80 -12.785 5.638 -0.559 624 2HB ALA 80 HB2 ALA 80 -14.037 6.495 0.341 625 3HB ALA 80 HB3 ALA 80 -13.001 5.327 1.164 626 H GLN 81 HN GLN 81 -10.657 6.751 2.777 627 HA GLN 81 HA GLN 81 -8.262 6.014 1.249 628 1HB GLN 81 HB2 GLN 81 -8.542 6.781 4.158 629 2HB GLN 81 HB1 GLN 81 -7.031 6.412 3.339 630 1HG GLN 81 HG2 GLN 81 -7.318 8.336 1.893 631 2HG GLN 81 HG1 GLN 81 -8.871 8.690 2.648 632 1HE2 GLN 81 HE21 GLN 81 -7.920 7.960 5.308 633 2HE2 GLN 81 HE22 GLN 81 -6.902 9.260 5.825 634 H GLU 82 HN GLU 82 -8.004 3.927 0.973 635 HA GLU 82 HA GLU 82 -9.023 2.030 2.939 636 1HB GLU 82 HB2 GLU 82 -9.469 1.502 0.612 637 2HB GLU 82 HB1 GLU 82 -7.770 1.655 0.212 638 1HG GLU 82 HG2 GLU 82 -8.635 -0.686 0.376 639 2HG GLU 82 HG1 GLU 82 -7.210 -0.330 1.346 640 H ASN 83 HN ASN 83 -7.758 1.705 4.628 641 HA ASN 83 HA ASN 83 -4.848 1.868 4.295 642 1HB ASN 83 HB2 ASN 83 -5.895 3.241 6.090 643 2HB ASN 83 HB1 ASN 83 -6.468 1.756 6.851 644 1HD2 ASN 83 HD21 ASN 83 -3.739 3.771 6.180 645 2HD2 ASN 83 HD22 ASN 83 -2.628 2.966 7.235 646 H VAL 84 HN VAL 84 -4.157 -0.057 3.575 647 HA VAL 84 HA VAL 84 -5.179 -2.472 4.935 648 HB VAL 84 HB VAL 84 -3.639 -2.310 2.334 649 1HG1 VAL 84 HG11 VAL 84 -5.039 -4.635 3.654 650 2HG1 VAL 84 HG12 VAL 84 -3.294 -4.413 3.518 651 3HG1 VAL 84 HG13 VAL 84 -4.268 -4.659 2.068 652 1HG2 VAL 84 HG21 VAL 84 -5.849 -1.339 2.087 653 2HG2 VAL 84 HG22 VAL 84 -6.580 -2.769 2.812 654 3HG2 VAL 84 HG23 VAL 84 -5.762 -2.890 1.253 655 H THR 85 HN THR 85 -3.922 -3.169 6.536 656 HA THR 85 HA THR 85 -1.060 -2.536 6.433 657 HB THR 85 HB THR 85 -2.536 -3.719 8.784 658 HG1 THR 85 HG1 THR 85 -3.168 -1.466 7.786 659 1HG2 THR 85 HG21 THR 85 -0.690 -2.673 10.043 660 2HG2 THR 85 HG22 THR 85 0.015 -2.120 8.523 661 3HG2 THR 85 HG23 THR 85 -0.101 -3.847 8.865 662 H ILE 86 HN ILE 86 0.010 -4.054 5.321 663 HA ILE 86 HA ILE 86 -0.816 -6.845 5.545 664 HB ILE 86 HB ILE 86 1.252 -5.573 3.742 665 1HG1 ILE 86 HG12 ILE 86 -1.551 -6.541 3.125 666 2HG1 ILE 86 HG11 ILE 86 -1.077 -4.853 3.288 667 1HG2 ILE 86 HG21 ILE 86 1.732 -7.927 4.183 668 2HG2 ILE 86 HG22 ILE 86 1.207 -7.689 2.516 669 3HG2 ILE 86 HG23 ILE 86 0.090 -8.360 3.707 670 1HD1 ILE 86 HD11 ILE 86 0.402 -5.082 1.366 671 2HD1 ILE 86 HD12 ILE 86 -1.260 -5.506 0.955 672 3HD1 ILE 86 HD13 ILE 86 -0.061 -6.775 1.207 673 H ASP 87 HN ASP 87 -0.001 -7.818 7.316 674 HA ASP 87 HA ASP 87 2.643 -7.377 8.299 675 1HB ASP 87 HB2 ASP 87 0.894 -8.271 9.772 676 2HB ASP 87 HB1 ASP 87 0.766 -9.710 8.766 677 H MET 88 HN MET 88 4.432 -7.970 7.284 678 HA MET 88 HA MET 88 4.218 -9.912 5.108 679 1HB MET 88 HB2 MET 88 6.526 -8.075 5.750 680 2HB MET 88 HB1 MET 88 6.205 -8.904 4.232 681 1HG MET 88 HG2 MET 88 4.306 -7.529 3.798 682 2HG MET 88 HG1 MET 88 4.397 -6.812 5.405 683 1HE MET 88 HE1 MET 88 5.585 -6.635 1.729 684 2HE MET 88 HE2 MET 88 6.885 -7.572 2.467 685 3HE MET 88 HE3 MET 88 7.201 -5.940 1.872 686 H GLU 89 HN GLU 89 4.424 -10.621 7.997 687 HA GLU 89 HA GLU 89 6.929 -12.180 7.879 688 1HB GLU 89 HB2 GLU 89 5.322 -11.209 10.247 689 2HB GLU 89 HB1 GLU 89 6.639 -12.365 10.378 690 1HG GLU 89 HG2 GLU 89 7.133 -9.742 9.059 691 2HG GLU 89 HG1 GLU 89 7.032 -9.823 10.816 692 H LYS 90 HN LYS 90 3.494 -12.196 8.529 693 HA LYS 90 HA LYS 90 3.491 -15.135 8.675 694 1HB LYS 90 HB2 LYS 90 2.335 -13.269 10.312 695 2HB LYS 90 HB1 LYS 90 1.006 -13.650 9.231 696 1HG LYS 90 HG2 LYS 90 2.544 -15.800 10.642 697 2HG LYS 90 HG1 LYS 90 1.200 -14.959 11.411 698 1HD LYS 90 HD2 LYS 90 -0.241 -15.624 9.507 699 2HD LYS 90 HD1 LYS 90 1.109 -16.556 8.855 700 1HE LYS 90 HE2 LYS 90 1.145 -17.935 10.855 701 2HE LYS 90 HE1 LYS 90 -0.153 -16.973 11.561 702 1HZ LYS 90 HZ1 LYS 90 -0.328 -18.704 9.155 703 2HZ LYS 90 HZ2 LYS 90 -1.566 -17.670 9.678 704 3HZ LYS 90 HZ3 LYS 90 -1.072 -18.960 10.658 705 H VAL 91 HN VAL 91 3.421 -13.025 6.317 706 HA VAL 91 HA VAL 91 0.981 -13.129 4.995 707 HB VAL 91 HB VAL 91 2.619 -13.100 2.860 708 1HG1 VAL 91 HG11 VAL 91 2.147 -10.773 4.713 709 2HG1 VAL 91 HG12 VAL 91 1.038 -11.357 3.470 710 3HG1 VAL 91 HG13 VAL 91 2.595 -10.670 3.009 711 1HG2 VAL 91 HG21 VAL 91 4.677 -11.901 3.455 712 2HG2 VAL 91 HG22 VAL 91 4.628 -13.528 4.135 713 3HG2 VAL 91 HG23 VAL 91 4.303 -12.132 5.164 714 H ASP 92 HN ASP 92 -0.038 -14.485 3.691 715 HA ASP 92 HA ASP 92 1.264 -17.011 2.971 716 1HB ASP 92 HB2 ASP 92 -0.925 -17.305 3.982 717 2HB ASP 92 HB1 ASP 92 -1.641 -16.160 2.850 718 H PHE 93 HN PHE 93 2.430 -16.731 1.174 719 HA PHE 93 HA PHE 93 1.843 -14.663 -0.689 720 1HB PHE 93 HB2 PHE 93 3.835 -16.920 -0.855 721 2HB PHE 93 HB1 PHE 93 3.714 -15.599 -2.009 722 HD1 PHE 93 HD1 PHE 93 4.432 -16.369 1.552 723 HD2 PHE 93 HD2 PHE 93 4.788 -13.578 -1.640 724 HE1 PHE 93 HE1 PHE 93 5.984 -15.018 2.905 725 HE2 PHE 93 HE2 PHE 93 6.334 -12.224 -0.293 726 HZ PHE 93 HZ PHE 93 6.936 -12.937 1.984 727 H LYS 94 HN LYS 94 0.890 -17.935 -0.383 728 HA LYS 94 HA LYS 94 0.249 -18.619 -3.012 729 1HB LYS 94 HB2 LYS 94 0.057 -20.179 -1.132 730 2HB LYS 94 HB1 LYS 94 -1.265 -19.233 -0.466 731 1HG LYS 94 HG2 LYS 94 -2.477 -19.712 -2.667 732 2HG LYS 94 HG1 LYS 94 -1.243 -20.951 -2.919 733 1HD LYS 94 HD2 LYS 94 -3.178 -21.952 -1.878 734 2HD LYS 94 HD1 LYS 94 -1.843 -21.927 -0.723 735 1HE LYS 94 HE2 LYS 94 -2.808 -19.770 0.164 736 2HE LYS 94 HE1 LYS 94 -4.228 -20.095 -0.829 737 1HZ LYS 94 HZ1 LYS 94 -4.481 -22.214 0.366 738 2HZ LYS 94 HZ2 LYS 94 -4.598 -20.868 1.390 739 3HZ LYS 94 HZ3 LYS 94 -3.178 -21.792 1.368 740 H ALA 95 HN ALA 95 -1.864 -17.097 -0.563 741 HA ALA 95 HA ALA 95 -3.834 -16.320 -2.487 742 1HB ALA 95 HB1 ALA 95 -3.415 -15.347 0.339 743 2HB ALA 95 HB2 ALA 95 -4.403 -16.727 -0.140 744 3HB ALA 95 HB3 ALA 95 -4.860 -15.099 -0.640 745 H LEU 96 HN LEU 96 -0.982 -14.863 -1.116 746 HA LEU 96 HA LEU 96 -1.398 -12.173 -1.734 747 1HB LEU 96 HB2 LEU 96 0.520 -13.251 -0.426 748 2HB LEU 96 HB1 LEU 96 1.257 -13.565 -1.989 749 HG LEU 96 HG LEU 96 1.087 -11.054 -2.399 750 1HD1 LEU 96 HD11 LEU 96 0.993 -9.672 -0.390 751 2HD1 LEU 96 HD12 LEU 96 0.612 -11.111 0.558 752 3HD1 LEU 96 HD13 LEU 96 -0.515 -10.542 -0.677 753 1HD2 LEU 96 HD21 LEU 96 3.132 -10.594 -1.163 754 2HD2 LEU 96 HD22 LEU 96 3.190 -12.190 -1.912 755 3HD2 LEU 96 HD23 LEU 96 2.871 -12.038 -0.183 756 H GLN 97 HN GLN 97 -0.336 -14.856 -3.714 757 HA GLN 97 HA GLN 97 0.561 -13.475 -5.969 758 1HB GLN 97 HB2 GLN 97 0.939 -15.854 -5.641 759 2HB GLN 97 HB1 GLN 97 -0.785 -16.170 -5.750 760 1HG GLN 97 HG2 GLN 97 -0.757 -15.403 -8.085 761 2HG GLN 97 HG1 GLN 97 0.985 -15.162 -7.965 762 1HE2 GLN 97 HE21 GLN 97 -0.631 -17.802 -6.375 763 2HE2 GLN 97 HE22 GLN 97 -0.008 -19.055 -7.390 764 H GLY 98 HN GLY 98 -2.670 -14.078 -4.828 765 1HA GLY 98 HA2 GLY 98 -3.925 -13.609 -7.381 766 2HA GLY 98 HA1 GLY 98 -4.740 -13.776 -5.834 767 H ILE 99 HN ILE 99 -3.758 -11.782 -4.334 768 HA ILE 99 HA ILE 99 -5.030 -9.495 -5.578 769 HB ILE 99 HB ILE 99 -4.699 -8.462 -3.285 770 1HG1 ILE 99 HG12 ILE 99 -3.874 -11.299 -2.616 771 2HG1 ILE 99 HG11 ILE 99 -2.819 -9.892 -2.569 772 1HG2 ILE 99 HG21 ILE 99 -6.813 -9.419 -3.971 773 2HG2 ILE 99 HG22 ILE 99 -6.501 -9.809 -2.279 774 3HG2 ILE 99 HG23 ILE 99 -6.255 -11.032 -3.528 775 1HD1 ILE 99 HD11 ILE 99 -4.171 -8.938 -0.783 776 2HD1 ILE 99 HD12 ILE 99 -3.556 -10.532 -0.348 777 3HD1 ILE 99 HD13 ILE 99 -5.238 -10.342 -0.840 778 H SER 100 HN SER 100 -1.895 -10.335 -4.255 779 HA SER 100 HA SER 100 0.165 -9.467 -4.422 780 1HB SER 100 HB2 SER 100 -0.933 -7.911 -6.755 781 2HB SER 100 HB1 SER 100 0.775 -8.146 -6.380 782 HG SER 100 HG SER 100 -0.582 -10.498 -6.474 783 H GLY 101 HN GLY 101 -1.745 -6.666 -5.370 784 1HA GLY 101 HA2 GLY 101 -1.960 -4.590 -4.352 785 2HA GLY 101 HA1 GLY 101 -1.110 -5.231 -2.951 786 H ILE 102 HN ILE 102 0.530 -5.874 -5.798 787 HA ILE 102 HA ILE 102 2.223 -3.481 -5.558 788 HB ILE 102 HB ILE 102 3.331 -6.271 -5.938 789 1HG1 ILE 102 HG12 ILE 102 3.277 -4.631 -3.391 790 2HG1 ILE 102 HG11 ILE 102 2.303 -6.063 -3.692 791 1HG2 ILE 102 HG21 ILE 102 4.710 -4.479 -6.825 792 2HG2 ILE 102 HG22 ILE 102 5.470 -5.189 -5.400 793 3HG2 ILE 102 HG23 ILE 102 4.644 -3.635 -5.278 794 1HD1 ILE 102 HD11 ILE 102 4.336 -7.407 -3.857 795 2HD1 ILE 102 HD12 ILE 102 4.218 -6.585 -2.302 796 3HD1 ILE 102 HD13 ILE 102 5.308 -5.969 -3.546 797 H ASN 103 HN ASN 103 2.700 -2.596 -7.500 798 HA ASN 103 HA ASN 103 1.762 -3.862 -9.907 799 1HB ASN 103 HB2 ASN 103 3.201 -1.252 -9.413 800 2HB ASN 103 HB1 ASN 103 2.767 -1.816 -11.024 801 1HD2 ASN 103 HD21 ASN 103 0.608 -1.907 -11.623 802 2HD2 ASN 103 HD22 ASN 103 -0.618 -1.056 -10.744 803 H VAL 104 HN VAL 104 3.014 -5.730 -9.938 804 HA VAL 104 HA VAL 104 5.398 -5.549 -11.456 805 HB VAL 104 HB VAL 104 6.208 -5.020 -9.084 806 1HG1 VAL 104 HG11 VAL 104 4.842 -6.580 -7.850 807 2HG1 VAL 104 HG12 VAL 104 6.548 -6.944 -7.593 808 3HG1 VAL 104 HG13 VAL 104 5.589 -7.940 -8.687 809 1HG2 VAL 104 HG21 VAL 104 8.216 -6.408 -9.292 810 2HG2 VAL 104 HG22 VAL 104 7.739 -5.708 -10.840 811 3HG2 VAL 104 HG23 VAL 104 7.399 -7.404 -10.496 812 H SER 105 HN SER 105 6.347 -7.859 -11.690 813 HA SER 105 HA SER 105 4.206 -9.661 -12.245 814 1HB SER 105 HB2 SER 105 7.199 -10.115 -12.293 815 2HB SER 105 HB1 SER 105 5.984 -11.168 -13.018 816 HG SER 105 HG SER 105 5.718 -9.806 -14.623 817 H ALA 106 HN ALA 106 3.652 -11.554 -11.200 818 HA ALA 106 HA ALA 106 3.996 -11.629 -8.403 819 1HB ALA 106 HB1 ALA 106 2.037 -12.567 -9.535 820 2HB ALA 106 HB2 ALA 106 2.811 -13.754 -8.486 821 3HB ALA 106 HB3 ALA 106 3.050 -13.833 -10.231 822 H GLU 107 HN GLU 107 5.861 -12.899 -10.983 823 HA GLU 107 HA GLU 107 7.150 -15.059 -9.843 824 1HB GLU 107 HB2 GLU 107 8.236 -12.992 -11.761 825 2HB GLU 107 HB1 GLU 107 9.055 -14.495 -11.367 826 1HG GLU 107 HG2 GLU 107 7.979 -14.876 -13.411 827 2HG GLU 107 HG1 GLU 107 6.993 -15.691 -12.202 828 H ASP 108 HN ASP 108 7.862 -11.606 -9.450 829 HA ASP 108 HA ASP 108 10.318 -12.026 -8.058 830 1HB ASP 108 HB2 ASP 108 9.336 -9.838 -9.224 831 2HB ASP 108 HB1 ASP 108 8.702 -9.549 -7.610 832 H ALA 109 HN ALA 109 6.964 -11.749 -7.138 833 HA ALA 109 HA ALA 109 7.435 -11.449 -4.335 834 1HB ALA 109 HB1 ALA 109 5.029 -11.772 -4.098 835 2HB ALA 109 HB2 ALA 109 4.924 -12.264 -5.789 836 3HB ALA 109 HB3 ALA 109 5.392 -10.614 -5.378 837 H LYS 110 HN LYS 110 6.841 -14.141 -6.507 838 HA LYS 110 HA LYS 110 6.295 -16.141 -4.616 839 1HB LYS 110 HB2 LYS 110 7.672 -16.353 -7.298 840 2HB LYS 110 HB1 LYS 110 7.126 -17.730 -6.355 841 1HG LYS 110 HG2 LYS 110 4.817 -16.941 -6.551 842 2HG LYS 110 HG1 LYS 110 5.377 -15.570 -7.514 843 1HD LYS 110 HD2 LYS 110 6.278 -17.121 -9.185 844 2HD LYS 110 HD1 LYS 110 5.705 -18.485 -8.225 845 1HE LYS 110 HE2 LYS 110 3.394 -17.639 -8.484 846 2HE LYS 110 HE1 LYS 110 4.012 -16.356 -9.525 847 1HZ LYS 110 HZ1 LYS 110 4.259 -19.270 -10.056 848 2HZ LYS 110 HZ2 LYS 110 4.819 -18.028 -11.064 849 3HZ LYS 110 HZ3 LYS 110 3.151 -18.226 -10.808 850 H LYS 111 HN LYS 111 9.300 -14.718 -5.684 851 HA LYS 111 HA LYS 111 10.861 -16.803 -4.376 852 1HB LYS 111 HB2 LYS 111 11.325 -15.813 -6.718 853 2HB LYS 111 HB1 LYS 111 11.991 -14.438 -5.850 854 1HG LYS 111 HG2 LYS 111 13.667 -15.803 -4.834 855 2HG LYS 111 HG1 LYS 111 12.920 -17.272 -5.464 856 1HD LYS 111 HD2 LYS 111 13.348 -16.412 -7.766 857 2HD LYS 111 HD1 LYS 111 14.254 -15.080 -7.044 858 1HE LYS 111 HE2 LYS 111 15.807 -16.645 -6.042 859 2HE LYS 111 HE1 LYS 111 14.874 -18.006 -6.661 860 1HZ LYS 111 HZ1 LYS 111 16.317 -15.983 -8.286 861 2HZ LYS 111 HZ2 LYS 111 15.359 -17.230 -8.919 862 3HZ LYS 111 HZ3 LYS 111 16.772 -17.602 -8.057 863 H GLY 112 HN GLY 112 9.314 -14.218 -3.295 864 1HA GLY 112 HA2 GLY 112 9.537 -13.563 -1.021 865 2HA GLY 112 HA1 GLY 112 11.260 -13.885 -1.125 866 H ILE 113 HN ILE 113 9.392 -11.493 -0.453 867 HA ILE 113 HA ILE 113 10.647 -9.504 -2.211 868 HB ILE 113 HB ILE 113 8.305 -9.193 -0.319 869 1HG1 ILE 113 HG12 ILE 113 7.769 -10.530 -2.320 870 2HG1 ILE 113 HG11 ILE 113 6.945 -8.974 -2.344 871 1HG2 ILE 113 HG21 ILE 113 9.588 -7.133 -0.501 872 2HG2 ILE 113 HG22 ILE 113 8.038 -6.972 -1.322 873 3HG2 ILE 113 HG23 ILE 113 9.508 -7.222 -2.262 874 1HD1 ILE 113 HD11 ILE 113 8.612 -8.120 -3.910 875 2HD1 ILE 113 HD12 ILE 113 7.797 -9.554 -4.536 876 3HD1 ILE 113 HD13 ILE 113 9.431 -9.681 -3.883 877 H THR 114 HN THR 114 12.259 -8.313 -1.443 878 HA THR 114 HA THR 114 12.504 -7.976 1.475 879 HB THR 114 HB THR 114 14.942 -7.798 1.195 880 HG1 THR 114 HG1 THR 114 14.515 -8.632 -1.506 881 1HG2 THR 114 HG21 THR 114 13.998 -9.988 1.725 882 2HG2 THR 114 HG22 THR 114 15.426 -10.150 0.705 883 3HG2 THR 114 HG23 THR 114 13.819 -10.335 0.006 884 H MET 115 HN MET 115 14.328 -6.011 1.647 885 HA MET 115 HA MET 115 12.965 -3.680 0.802 886 1HB MET 115 HB2 MET 115 14.507 -3.853 2.782 887 2HB MET 115 HB1 MET 115 15.857 -3.896 1.657 888 1HG MET 115 HG2 MET 115 15.585 -1.674 2.544 889 2HG MET 115 HG1 MET 115 15.222 -1.687 0.819 890 1HE MET 115 HE1 MET 115 14.018 0.664 0.990 891 2HE MET 115 HE2 MET 115 14.414 0.716 2.710 892 3HE MET 115 HE3 MET 115 12.764 1.034 2.177 893 H ALA 116 HN ALA 116 15.648 -5.534 -0.478 894 HA ALA 116 HA ALA 116 16.546 -3.753 -2.448 895 1HB ALA 116 HB1 ALA 116 16.550 -6.771 -2.514 896 2HB ALA 116 HB2 ALA 116 17.791 -5.752 -1.784 897 3HB ALA 116 HB3 ALA 116 17.528 -5.709 -3.527 898 H GLN 117 HN GLN 117 14.000 -6.217 -2.499 899 HA GLN 117 HA GLN 117 13.182 -5.975 -5.152 900 1HB GLN 117 HB2 GLN 117 11.935 -6.874 -2.640 901 2HB GLN 117 HB1 GLN 117 10.795 -6.258 -3.824 902 1HG GLN 117 HG2 GLN 117 10.945 -8.602 -4.114 903 2HG GLN 117 HG1 GLN 117 11.757 -7.843 -5.481 904 1HE2 GLN 117 HE21 GLN 117 12.913 -9.720 -5.902 905 2HE2 GLN 117 HE22 GLN 117 14.245 -10.210 -4.906 906 H MET 118 HN MET 118 11.402 -4.495 -2.475 907 HA MET 118 HA MET 118 9.818 -2.761 -3.730 908 1HB MET 118 HB2 MET 118 11.334 -2.248 -1.178 909 2HB MET 118 HB1 MET 118 9.983 -1.270 -1.733 910 1HG MET 118 HG2 MET 118 9.886 -4.206 -1.102 911 2HG MET 118 HG1 MET 118 9.279 -2.902 -0.080 912 1HE MET 118 HE1 MET 118 6.997 -4.453 -0.087 913 2HE MET 118 HE2 MET 118 7.709 -5.549 -1.277 914 3HE MET 118 HE3 MET 118 6.119 -4.837 -1.570 915 H GLU 119 HN GLU 119 13.191 -1.890 -2.871 916 HA GLU 119 HA GLU 119 13.109 0.728 -3.827 917 1HB GLU 119 HB2 GLU 119 15.459 -1.175 -3.865 918 2HB GLU 119 HB1 GLU 119 15.557 0.572 -4.014 919 1HG GLU 119 HG2 GLU 119 14.473 -0.870 -1.609 920 2HG GLU 119 HG1 GLU 119 16.125 -0.285 -1.767 921 H LEU 120 HN LEU 120 14.183 -2.209 -5.541 922 HA LEU 120 HA LEU 120 14.663 -0.819 -8.001 923 1HB LEU 120 HB2 LEU 120 14.497 -3.749 -7.316 924 2HB LEU 120 HB1 LEU 120 14.932 -3.154 -8.903 925 HG LEU 120 HG LEU 120 16.469 -2.627 -6.359 926 1HD1 LEU 120 HD11 LEU 120 17.034 -4.468 -8.677 927 2HD1 LEU 120 HD12 LEU 120 16.661 -4.941 -7.018 928 3HD1 LEU 120 HD13 LEU 120 18.166 -4.094 -7.379 929 1HD2 LEU 120 HD21 LEU 120 16.667 -0.795 -7.955 930 2HD2 LEU 120 HD22 LEU 120 17.105 -1.938 -9.226 931 3HD2 LEU 120 HD23 LEU 120 18.177 -1.700 -7.846 932 H VAL 121 HN VAL 121 11.994 -2.475 -6.603 933 HA VAL 121 HA VAL 121 10.625 -3.025 -9.077 934 HB VAL 121 HB VAL 121 9.948 -3.463 -6.167 935 1HG1 VAL 121 HG11 VAL 121 8.272 -4.340 -8.509 936 2HG1 VAL 121 HG12 VAL 121 7.860 -3.017 -7.412 937 3HG1 VAL 121 HG13 VAL 121 7.981 -4.669 -6.799 938 1HG2 VAL 121 HG21 VAL 121 10.119 -5.825 -6.806 939 2HG2 VAL 121 HG22 VAL 121 11.620 -4.940 -7.087 940 3HG2 VAL 121 HG23 VAL 121 10.561 -5.333 -8.445 941 H MET 122 HN MET 122 10.290 -0.773 -6.362 942 HA MET 122 HA MET 122 7.937 0.446 -7.416 943 1HB MET 122 HB2 MET 122 9.809 1.039 -5.177 944 2HB MET 122 HB1 MET 122 8.791 2.347 -5.763 945 1HG MET 122 HG2 MET 122 7.844 1.068 -3.848 946 2HG MET 122 HG1 MET 122 6.807 1.137 -5.272 947 1HE MET 122 HE1 MET 122 5.916 -0.926 -3.246 948 2HE MET 122 HE2 MET 122 5.777 -2.389 -4.225 949 3HE MET 122 HE3 MET 122 5.269 -0.834 -4.885 950 H LYS 123 HN LYS 123 11.400 1.088 -7.673 951 HA LYS 123 HA LYS 123 11.140 3.455 -9.217 952 1HB LYS 123 HB2 LYS 123 13.272 2.758 -8.186 953 2HB LYS 123 HB1 LYS 123 13.343 1.377 -9.273 954 1HG LYS 123 HG2 LYS 123 13.485 2.887 -11.189 955 2HG LYS 123 HG1 LYS 123 13.410 4.273 -10.100 956 1HD LYS 123 HD2 LYS 123 15.490 3.553 -9.036 957 2HD LYS 123 HD1 LYS 123 15.564 2.158 -10.114 958 1HE LYS 123 HE2 LYS 123 15.607 5.044 -10.997 959 2HE LYS 123 HE1 LYS 123 17.026 4.011 -10.839 960 1HZ LYS 123 HZ1 LYS 123 15.965 2.503 -12.491 961 2HZ LYS 123 HZ2 LYS 123 16.389 4.024 -13.103 962 3HZ LYS 123 HZ3 LYS 123 14.770 3.681 -12.743 963 H ALA 124 HN ALA 124 11.103 0.036 -9.973 964 HA ALA 124 HA ALA 124 11.146 0.216 -12.781 965 1HB ALA 124 HB1 ALA 124 11.587 -1.875 -11.660 966 2HB ALA 124 HB2 ALA 124 10.186 -2.073 -12.712 967 3HB ALA 124 HB3 ALA 124 9.964 -1.887 -10.975 968 H ALA 125 HN ALA 125 8.453 0.118 -10.462 969 HA ALA 125 HA ALA 125 6.431 0.301 -12.473 970 1HB ALA 125 HB1 ALA 125 6.217 0.915 -9.527 971 2HB ALA 125 HB2 ALA 125 6.020 -0.682 -10.250 972 3HB ALA 125 HB3 ALA 125 4.880 0.608 -10.638 973 H GLY 126 HN GLY 126 8.333 2.606 -10.704 974 1HA GLY 126 HA2 GLY 126 8.647 4.829 -11.476 975 2HA GLY 126 HA1 GLY 126 7.071 4.755 -12.252 976 H PHE 127 HN PHE 127 7.970 3.938 -8.931 977 HA PHE 127 HA PHE 127 5.995 5.900 -7.989 978 1HB PHE 127 HB2 PHE 127 7.236 3.536 -6.565 979 2HB PHE 127 HB1 PHE 127 6.061 4.636 -5.858 980 HD1 PHE 127 HD1 PHE 127 6.101 1.502 -6.504 981 HD2 PHE 127 HD2 PHE 127 4.202 4.913 -8.195 982 HE1 PHE 127 HE1 PHE 127 4.274 0.073 -7.323 983 HE2 PHE 127 HE2 PHE 127 2.372 3.490 -9.017 984 HZ PHE 127 HZ PHE 127 2.405 1.068 -8.581 985 H LYS 128 HN LYS 128 6.556 7.516 -6.607 986 HA LYS 128 HA LYS 128 9.428 7.872 -6.089 987 1HB LYS 128 HB2 LYS 128 8.946 10.228 -5.800 988 2HB LYS 128 HB1 LYS 128 8.243 9.686 -7.317 989 1HG LYS 128 HG2 LYS 128 6.051 9.510 -6.210 990 2HG LYS 128 HG1 LYS 128 6.774 10.132 -4.728 991 1HD LYS 128 HD2 LYS 128 7.419 12.184 -5.973 992 2HD LYS 128 HD1 LYS 128 6.539 11.563 -7.373 993 1HE LYS 128 HE2 LYS 128 5.409 12.260 -4.664 994 2HE LYS 128 HE1 LYS 128 5.123 13.100 -6.188 995 1HZ LYS 128 HZ1 LYS 128 4.254 10.341 -5.506 996 2HZ LYS 128 HZ2 LYS 128 4.048 11.068 -7.024 997 3HZ LYS 128 HZ3 LYS 128 3.258 11.704 -5.667 998 H GLU 129 HN GLU 129 10.183 8.290 -3.992 999 HA GLU 129 HA GLU 129 8.496 7.205 -1.910 1000 1HB GLU 129 HB2 GLU 129 11.065 8.416 -1.113 1001 2HB GLU 129 HB1 GLU 129 10.377 6.858 -0.691 1002 1HG GLU 129 HG2 GLU 129 12.176 6.196 -1.910 1003 2HG GLU 129 HG1 GLU 129 10.958 6.286 -3.183 1004 H VAL 130 HN VAL 130 7.648 8.237 -0.214 1005 HA VAL 130 HA VAL 130 7.968 11.153 -0.065 1006 HB VAL 130 HB VAL 130 5.594 9.409 0.643 1007 1HG1 VAL 130 HG11 VAL 130 4.522 11.409 1.594 1008 2HG1 VAL 130 HG12 VAL 130 6.044 12.289 1.450 1009 3HG1 VAL 130 HG13 VAL 130 5.923 10.905 2.538 1010 1HG2 VAL 130 HG21 VAL 130 5.933 11.850 -1.083 1011 2HG2 VAL 130 HG22 VAL 130 4.417 10.996 -0.790 1012 3HG2 VAL 130 HG23 VAL 130 5.734 10.186 -1.638 1013 H LYS 131 HN LYS 131 9.773 11.106 1.141 1014 HA LYS 131 HA LYS 131 10.067 9.445 3.473 1015 1HB LYS 131 HB2 LYS 131 11.904 10.165 1.881 1016 2HB LYS 131 HB1 LYS 131 11.769 11.778 2.559 1017 1HG LYS 131 HG2 LYS 131 12.479 10.980 4.715 1018 2HG LYS 131 HG1 LYS 131 12.488 9.313 4.130 1019 1HD LYS 131 HD2 LYS 131 14.222 11.565 3.110 1020 2HD LYS 131 HD1 LYS 131 14.750 10.233 4.142 1021 1HE LYS 131 HE2 LYS 131 14.367 8.638 2.423 1022 2HE LYS 131 HE1 LYS 131 13.511 9.815 1.430 1023 1HZ LYS 131 HZ1 LYS 131 15.771 9.395 0.641 1024 2HZ LYS 131 HZ2 LYS 131 16.401 9.951 2.121 1025 3HZ LYS 131 HZ3 LYS 131 15.558 11.013 1.102 1026 H LEU 132 HN LEU 132 8.526 10.018 4.940 1027 HA LEU 132 HA LEU 132 7.606 12.579 5.497 1028 1HB LEU 132 HB2 LEU 132 6.659 11.634 7.557 1029 2HB LEU 132 HB1 LEU 132 6.331 10.643 6.151 1030 HG LEU 132 HG LEU 132 8.595 9.987 8.030 1031 1HD1 LEU 132 HD11 LEU 132 6.568 10.140 9.375 1032 2HD1 LEU 132 HD12 LEU 132 7.069 8.460 9.185 1033 3HD1 LEU 132 HD13 LEU 132 5.721 9.090 8.239 1034 1HD2 LEU 132 HD21 LEU 132 6.926 8.314 6.148 1035 2HD2 LEU 132 HD22 LEU 132 8.251 7.728 7.156 1036 3HD2 LEU 132 HD23 LEU 132 8.573 8.870 5.852 1037 H GLU 133 HN GLU 133 8.461 14.231 6.421 1038 HA GLU 133 HA GLU 133 9.732 15.611 7.658 1039 1HB GLU 133 HB2 GLU 133 10.008 13.152 9.356 1040 2HB GLU 133 HB1 GLU 133 10.858 14.640 9.748 1041 1HG GLU 133 HG2 GLU 133 8.684 15.816 9.796 1042 2HG GLU 133 HG1 GLU 133 7.882 14.266 9.536 1043 H HIS 134 HN HIS 134 11.147 15.989 5.988 1044 HA HIS 134 HA HIS 134 13.593 14.497 5.746 1045 1HB HIS 134 HB2 HIS 134 12.767 17.194 4.643 1046 2HB HIS 134 HB1 HIS 134 14.299 16.407 4.275 1047 HD1 HIS 134 HD1 HIS 134 10.681 16.353 3.452 1048 HD2 HIS 134 HD2 HIS 134 14.086 14.128 2.591 1049 HE1 HIS 134 HE1 HIS 134 10.050 14.874 1.519 1050 HE2 HIS 134 HE2 HIS 134 12.137 13.563 0.978 1051 H HIS 135 HN HIS 135 14.629 14.463 7.668 1052 HA HIS 135 HA HIS 135 14.997 16.891 9.203 1053 1HB HIS 135 HB2 HIS 135 14.543 14.558 10.168 1054 2HB HIS 135 HB1 HIS 135 16.219 14.191 9.781 1055 HD1 HIS 135 HD1 HIS 135 14.094 15.717 12.328 1056 HD2 HIS 135 HD2 HIS 135 18.115 15.852 11.255 1057 HE1 HIS 135 HE1 HIS 135 15.295 16.709 14.304 1058 HE2 HIS 135 HE2 HIS 135 17.695 16.952 13.561 1059 H HIS 136 HN HIS 136 16.800 18.115 9.255 1060 HA HIS 136 HA HIS 136 19.213 17.051 7.952 1061 1HB HIS 136 HB2 HIS 136 19.670 19.260 6.956 1062 2HB HIS 136 HB1 HIS 136 18.175 18.564 6.350 1063 HD1 HIS 136 HD1 HIS 136 19.529 21.488 8.213 1064 HD2 HIS 136 HD2 HIS 136 15.818 19.892 7.203 1065 HE1 HIS 136 HE1 HIS 136 17.861 23.318 8.637 1066 HE2 HIS 136 HE2 HIS 136 15.648 22.388 7.867 1067 H HIS 137 HN HIS 137 21.076 17.393 8.976 1068 HA HIS 137 HA HIS 137 20.963 18.771 11.558 1069 1HB HIS 137 HB2 HIS 137 21.807 16.444 11.480 1070 2HB HIS 137 HB1 HIS 137 23.073 16.945 10.369 1071 HD1 HIS 137 HD1 HIS 137 22.046 17.166 13.970 1072 HD2 HIS 137 HD2 HIS 137 25.291 18.113 11.547 1073 HE1 HIS 137 HE1 HIS 137 23.928 17.731 15.543 1074 HE2 HIS 137 HE2 HIS 137 25.938 18.042 14.047 1075 H HIS 138 HN HIS 138 23.169 18.458 8.797 1076 HA HIS 138 HA HIS 138 23.390 21.286 8.459 1077 1HB HIS 138 HB2 HIS 138 25.518 19.857 9.944 1078 2HB HIS 138 HB1 HIS 138 26.080 20.880 8.626 1079 HD1 HIS 138 HD1 HIS 138 26.141 21.229 11.956 1080 HD2 HIS 138 HD2 HIS 138 24.107 23.443 9.075 1081 HE1 HIS 138 HE1 HIS 138 25.704 23.473 12.998 1082 HE2 HIS 138 HE2 HIS 138 24.557 24.830 11.216 1083 H HIS 139 HN HIS 139 25.667 18.636 7.880 1084 HA HIS 139 HA HIS 139 24.663 18.014 5.317 1085 1HB HIS 139 HB2 HIS 139 26.759 18.655 4.038 1086 2HB HIS 139 HB1 HIS 139 25.692 19.980 4.473 1087 HD1 HIS 139 HD1 HIS 139 29.025 18.475 5.395 1088 HD2 HIS 139 HD2 HIS 139 26.828 21.943 6.020 1089 HE1 HIS 139 HE1 HIS 139 30.625 20.107 6.446 1090 HE2 HIS 139 HE2 HIS 139 29.331 22.266 6.587 Start of MODEL 15 1 1H MET 1 HT1 MET 1 21.758 1.681 7.441 2 2H MET 1 HT2 MET 1 22.883 2.325 8.530 3 3H MET 1 HT3 MET 1 23.037 2.634 6.871 4 HA MET 1 HA MET 1 22.170 4.529 8.108 5 1HB MET 1 HB2 MET 1 20.218 4.951 6.622 6 2HB MET 1 HB1 MET 1 21.649 4.395 5.770 7 1HG MET 1 HG2 MET 1 20.680 2.130 5.687 8 2HG MET 1 HG1 MET 1 19.225 2.751 6.464 9 1HE MET 1 HE1 MET 1 17.782 1.743 4.452 10 2HE MET 1 HE2 MET 1 19.255 1.158 3.675 11 3HE MET 1 HE3 MET 1 18.089 2.108 2.754 12 H GLY 2 HN GLY 2 20.092 1.654 8.293 13 1HA GLY 2 HA2 GLY 2 18.575 3.036 10.421 14 2HA GLY 2 HA1 GLY 2 17.890 1.805 9.369 15 H ASP 3 HN ASP 3 17.344 1.104 11.732 16 HA ASP 3 HA ASP 3 19.155 -1.072 12.321 17 1HB ASP 3 HB2 ASP 3 20.140 0.811 13.600 18 2HB ASP 3 HB1 ASP 3 18.618 0.984 14.471 19 H LYS 4 HN LYS 4 16.314 0.745 13.501 20 HA LYS 4 HA LYS 4 15.021 -1.832 14.027 21 1HB LYS 4 HB2 LYS 4 15.960 -1.064 16.166 22 2HB LYS 4 HB1 LYS 4 15.097 0.460 15.999 23 1HG LYS 4 HG2 LYS 4 12.967 -0.728 16.097 24 2HG LYS 4 HG1 LYS 4 13.828 -2.259 16.258 25 1HD LYS 4 HD2 LYS 4 14.834 -1.454 18.352 26 2HD LYS 4 HD1 LYS 4 13.930 0.054 18.193 27 1HE LYS 4 HE2 LYS 4 11.833 -1.164 18.325 28 2HE LYS 4 HE1 LYS 4 12.705 -2.694 18.408 29 1HZ LYS 4 HZ1 LYS 4 12.686 -0.522 20.431 30 2HZ LYS 4 HZ2 LYS 4 13.750 -1.842 20.484 31 3HZ LYS 4 HZ3 LYS 4 12.078 -2.100 20.599 32 H GLU 5 HN GLU 5 13.343 -1.826 12.748 33 HA GLU 5 HA GLU 5 11.480 -1.238 11.615 34 1HB GLU 5 HB2 GLU 5 11.067 0.489 14.056 35 2HB GLU 5 HB1 GLU 5 9.842 0.196 12.830 36 1HG GLU 5 HG2 GLU 5 10.075 -2.252 13.330 37 2HG GLU 5 HG1 GLU 5 11.080 -1.798 14.706 38 H GLU 6 HN GLU 6 12.715 -0.285 9.937 39 HA GLU 6 HA GLU 6 12.901 2.636 9.987 40 1HB GLU 6 HB2 GLU 6 13.997 0.704 7.935 41 2HB GLU 6 HB1 GLU 6 14.356 2.420 8.059 42 1HG GLU 6 HG2 GLU 6 15.150 0.247 9.978 43 2HG GLU 6 HG1 GLU 6 16.205 1.188 8.924 44 H SER 7 HN SER 7 11.486 3.847 8.909 45 HA SER 7 HA SER 7 9.419 2.425 7.412 46 1HB SER 7 HB2 SER 7 9.396 5.277 8.427 47 2HB SER 7 HB1 SER 7 8.016 4.343 7.845 48 HG SER 7 HG SER 7 9.408 3.114 9.864 49 H LYS 8 HN LYS 8 9.556 2.393 5.274 50 HA LYS 8 HA LYS 8 10.660 4.769 3.911 51 1HB LYS 8 HB2 LYS 8 11.871 2.582 3.549 52 2HB LYS 8 HB1 LYS 8 10.413 1.964 2.790 53 1HG LYS 8 HG2 LYS 8 10.569 3.663 1.058 54 2HG LYS 8 HG1 LYS 8 12.004 4.337 1.835 55 1HD LYS 8 HD2 LYS 8 13.173 2.205 1.499 56 2HD LYS 8 HD1 LYS 8 11.743 1.554 0.697 57 1HE LYS 8 HE2 LYS 8 11.940 3.342 -1.005 58 2HE LYS 8 HE1 LYS 8 13.429 3.877 -0.230 59 1HZ LYS 8 HZ1 LYS 8 13.987 2.471 -2.064 60 2HZ LYS 8 HZ2 LYS 8 12.941 1.256 -1.525 61 3HZ LYS 8 HZ3 LYS 8 14.330 1.621 -0.640 62 H LYS 9 HN LYS 9 9.234 5.959 2.911 63 HA LYS 9 HA LYS 9 6.558 4.847 2.393 64 1HB LYS 9 HB2 LYS 9 6.773 6.514 4.254 65 2HB LYS 9 HB1 LYS 9 7.327 7.688 3.076 66 1HG LYS 9 HG2 LYS 9 5.132 7.449 1.917 67 2HG LYS 9 HG1 LYS 9 4.600 6.436 3.264 68 1HD LYS 9 HD2 LYS 9 5.262 8.337 4.792 69 2HD LYS 9 HD1 LYS 9 5.449 9.326 3.346 70 1HE LYS 9 HE2 LYS 9 3.290 9.741 4.271 71 2HE LYS 9 HE1 LYS 9 3.078 8.829 2.777 72 1HZ LYS 9 HZ1 LYS 9 1.648 7.865 4.367 73 2HZ LYS 9 HZ2 LYS 9 2.849 7.845 5.563 74 3HZ LYS 9 HZ3 LYS 9 2.960 6.796 4.238 75 H PHE 10 HN PHE 10 5.595 5.323 0.440 76 HA PHE 10 HA PHE 10 6.793 7.367 -1.249 77 1HB PHE 10 HB2 PHE 10 7.151 6.028 -3.138 78 2HB PHE 10 HB1 PHE 10 7.746 5.019 -1.830 79 HD1 PHE 10 HD1 PHE 10 6.709 2.932 -1.316 80 HD2 PHE 10 HD2 PHE 10 4.995 5.531 -4.217 81 HE1 PHE 10 HE1 PHE 10 5.233 1.116 -2.076 82 HE2 PHE 10 HE2 PHE 10 3.515 3.723 -4.974 83 HZ PHE 10 HZ PHE 10 3.630 1.512 -3.906 84 H SER 11 HN SER 11 5.283 8.095 -2.912 85 HA SER 11 HA SER 11 2.595 7.026 -2.739 86 1HB SER 11 HB2 SER 11 2.580 8.691 -0.958 87 2HB SER 11 HB1 SER 11 3.187 9.914 -2.059 88 HG SER 11 HG SER 11 0.749 8.529 -2.443 89 H ALA 12 HN ALA 12 1.838 6.843 -4.692 90 HA ALA 12 HA ALA 12 2.738 8.742 -6.756 91 1HB ALA 12 HB1 ALA 12 3.748 6.537 -7.106 92 2HB ALA 12 HB2 ALA 12 2.604 6.928 -8.392 93 3HB ALA 12 HB3 ALA 12 2.143 5.803 -7.115 94 H ASN 13 HN ASN 13 1.119 9.959 -7.452 95 HA ASN 13 HA ASN 13 -1.627 9.209 -6.987 96 1HB ASN 13 HB2 ASN 13 -0.415 11.592 -8.412 97 2HB ASN 13 HB1 ASN 13 -2.138 11.378 -8.133 98 1HD2 ASN 13 HD21 ASN 13 -2.964 11.683 -6.097 99 2HD2 ASN 13 HD22 ASN 13 -2.059 12.384 -4.804 100 H LEU 14 HN LEU 14 -2.117 7.446 -8.220 101 HA LEU 14 HA LEU 14 -1.343 7.322 -11.002 102 1HB LEU 14 HB2 LEU 14 -3.177 5.473 -9.475 103 2HB LEU 14 HB1 LEU 14 -2.427 5.154 -11.026 104 HG LEU 14 HG LEU 14 -1.001 5.399 -8.374 105 1HD1 LEU 14 HD11 LEU 14 -2.247 3.327 -8.614 106 2HD1 LEU 14 HD12 LEU 14 -0.512 3.026 -8.714 107 3HD1 LEU 14 HD13 LEU 14 -1.491 3.038 -10.181 108 1HD2 LEU 14 HD21 LEU 14 0.384 6.273 -10.178 109 2HD2 LEU 14 HD22 LEU 14 0.106 4.807 -11.117 110 3HD2 LEU 14 HD23 LEU 14 1.005 4.725 -9.601 111 H ASN 15 HN ASN 15 -2.503 9.393 -11.347 112 HA ASN 15 HA ASN 15 -4.077 10.530 -12.494 113 1HB ASN 15 HB2 ASN 15 -4.337 8.466 -13.852 114 2HB ASN 15 HB1 ASN 15 -5.590 7.929 -12.738 115 1HD2 ASN 15 HD21 ASN 15 -5.114 11.252 -13.754 116 2HD2 ASN 15 HD22 ASN 15 -6.590 11.385 -14.660 117 H GLY 16 HN GLY 16 -5.658 8.161 -10.433 118 1HA GLY 16 HA2 GLY 16 -7.120 10.371 -9.140 119 2HA GLY 16 HA1 GLY 16 -7.980 8.932 -9.670 120 H THR 17 HN THR 17 -6.031 7.007 -8.925 121 HA THR 17 HA THR 17 -6.627 6.873 -6.112 122 HB THR 17 HB THR 17 -5.258 4.681 -6.347 123 HG1 THR 17 HG1 THR 17 -4.269 5.007 -8.310 124 1HG2 THR 17 HG21 THR 17 -7.847 5.092 -7.844 125 2HG2 THR 17 HG22 THR 17 -7.678 4.747 -6.122 126 3HG2 THR 17 HG23 THR 17 -7.209 3.535 -7.316 127 H GLU 18 HN GLU 18 -5.432 7.972 -4.733 128 HA GLU 18 HA GLU 18 -2.617 8.468 -5.210 129 1HB GLU 18 HB2 GLU 18 -4.072 9.081 -2.654 130 2HB GLU 18 HB1 GLU 18 -2.718 9.936 -3.381 131 1HG GLU 18 HG2 GLU 18 -4.205 10.723 -5.170 132 2HG GLU 18 HG1 GLU 18 -5.551 9.898 -4.385 133 H ILE 19 HN ILE 19 -1.569 6.506 -5.062 134 HA ILE 19 HA ILE 19 -2.075 4.855 -2.714 135 HB ILE 19 HB ILE 19 -0.328 4.319 -5.124 136 1HG1 ILE 19 HG12 ILE 19 -3.062 3.295 -4.322 137 2HG1 ILE 19 HG11 ILE 19 -2.692 4.335 -5.693 138 1HG2 ILE 19 HG21 ILE 19 -0.189 2.025 -4.284 139 2HG2 ILE 19 HG22 ILE 19 -1.085 2.500 -2.840 140 3HG2 ILE 19 HG23 ILE 19 0.515 3.175 -3.148 141 1HD1 ILE 19 HD11 ILE 19 -1.780 1.490 -5.348 142 2HD1 ILE 19 HD12 ILE 19 -1.434 2.530 -6.730 143 3HD1 ILE 19 HD13 ILE 19 -3.095 2.041 -6.387 144 H ALA 20 HN ALA 20 -1.095 5.699 -0.980 145 HA ALA 20 HA ALA 20 1.798 6.202 -1.199 146 1HB ALA 20 HB1 ALA 20 1.404 7.365 1.087 147 2HB ALA 20 HB2 ALA 20 -0.280 7.416 0.573 148 3HB ALA 20 HB3 ALA 20 0.954 8.197 -0.398 149 H ILE 21 HN ILE 21 2.760 4.362 -0.759 150 HA ILE 21 HA ILE 21 1.726 2.655 1.380 151 HB ILE 21 HB ILE 21 3.783 2.102 -0.761 152 1HG1 ILE 21 HG12 ILE 21 0.963 1.078 -0.353 153 2HG1 ILE 21 HG11 ILE 21 1.489 2.200 -1.604 154 1HG2 ILE 21 HG21 ILE 21 4.351 0.896 1.261 155 2HG2 ILE 21 HG22 ILE 21 3.740 -0.217 0.038 156 3HG2 ILE 21 HG23 ILE 21 2.705 0.275 1.378 157 1HD1 ILE 21 HD11 ILE 21 2.359 -0.669 -1.325 158 2HD1 ILE 21 HD12 ILE 21 2.888 0.453 -2.579 159 3HD1 ILE 21 HD13 ILE 21 1.196 -0.038 -2.492 160 H THR 22 HN THR 22 2.686 2.569 3.276 161 HA THR 22 HA THR 22 5.416 3.643 3.539 162 HB THR 22 HB THR 22 3.441 3.410 5.804 163 HG1 THR 22 HG1 THR 22 2.428 4.735 4.297 164 1HG2 THR 22 HG21 THR 22 5.840 5.191 5.336 165 2HG2 THR 22 HG22 THR 22 5.788 3.778 6.391 166 3HG2 THR 22 HG23 THR 22 4.819 5.200 6.774 167 H TYR 23 HN TYR 23 6.566 1.725 3.275 168 HA TYR 23 HA TYR 23 5.684 -0.512 4.933 169 1HB TYR 23 HB2 TYR 23 7.170 -1.930 3.502 170 2HB TYR 23 HB1 TYR 23 5.793 -1.217 2.684 171 HD1 TYR 23 HD1 TYR 23 9.218 -1.879 2.484 172 HD2 TYR 23 HD2 TYR 23 6.332 1.055 1.408 173 HE1 TYR 23 HE1 TYR 23 10.712 -1.067 0.706 174 HE2 TYR 23 HE2 TYR 23 7.819 1.877 -0.373 175 HH TYR 23 HH TYR 23 10.333 0.186 -1.575 176 H VAL 24 HN VAL 24 6.574 -0.769 6.739 177 HA VAL 24 HA VAL 24 9.171 0.343 7.374 178 HB VAL 24 HB VAL 24 7.223 -1.202 9.102 179 1HG1 VAL 24 HG11 VAL 24 8.504 -0.317 10.990 180 2HG1 VAL 24 HG12 VAL 24 9.647 0.421 9.868 181 3HG1 VAL 24 HG13 VAL 24 9.500 -1.335 9.950 182 1HG2 VAL 24 HG21 VAL 24 7.707 1.767 8.898 183 2HG2 VAL 24 HG22 VAL 24 6.628 0.973 10.044 184 3HG2 VAL 24 HG23 VAL 24 6.282 0.908 8.316 185 H TYR 25 HN TYR 25 10.966 -0.772 7.160 186 HA TYR 25 HA TYR 25 10.782 -3.708 7.102 187 1HB TYR 25 HB2 TYR 25 12.816 -3.674 5.699 188 2HB TYR 25 HB1 TYR 25 11.483 -2.806 4.948 189 HD1 TYR 25 HD1 TYR 25 14.864 -2.588 6.205 190 HD2 TYR 25 HD2 TYR 25 11.508 -0.301 4.941 191 HE1 TYR 25 HE1 TYR 25 16.315 -0.624 5.919 192 HE2 TYR 25 HE2 TYR 25 12.951 1.666 4.654 193 HH TYR 25 HH TYR 25 15.134 2.492 5.569 194 H LYS 26 HN LYS 26 12.541 -4.889 7.998 195 HA LYS 26 HA LYS 26 14.080 -3.390 10.019 196 1HB LYS 26 HB2 LYS 26 12.184 -4.837 10.924 197 2HB LYS 26 HB1 LYS 26 13.099 -6.227 10.362 198 1HG LYS 26 HG2 LYS 26 14.942 -5.632 11.832 199 2HG LYS 26 HG1 LYS 26 14.064 -4.200 12.371 200 1HD LYS 26 HD2 LYS 26 13.242 -7.078 12.770 201 2HD LYS 26 HD1 LYS 26 13.832 -5.970 14.009 202 1HE LYS 26 HE2 LYS 26 11.873 -4.538 13.649 203 2HE LYS 26 HE1 LYS 26 11.284 -5.656 12.420 204 1HZ LYS 26 HZ1 LYS 26 11.534 -6.113 15.336 205 2HZ LYS 26 HZ2 LYS 26 11.325 -7.390 14.237 206 3HZ LYS 26 HZ3 LYS 26 10.134 -6.190 14.376 207 H GLY 27 HN GLY 27 15.972 -3.261 8.929 208 1HA GLY 27 HA2 GLY 27 18.039 -4.049 8.224 209 2HA GLY 27 HA1 GLY 27 17.465 -5.693 8.482 210 H ASP 28 HN ASP 28 17.236 -6.861 6.708 211 HA ASP 28 HA ASP 28 16.958 -5.493 4.132 212 1HB ASP 28 HB2 ASP 28 17.766 -8.308 4.863 213 2HB ASP 28 HB1 ASP 28 17.438 -7.814 3.206 214 H LYS 29 HN LYS 29 15.073 -7.037 6.426 215 HA LYS 29 HA LYS 29 13.227 -8.208 4.481 216 1HB LYS 29 HB2 LYS 29 14.020 -9.515 6.500 217 2HB LYS 29 HB1 LYS 29 13.109 -8.391 7.491 218 1HG LYS 29 HG2 LYS 29 11.044 -9.070 6.446 219 2HG LYS 29 HG1 LYS 29 11.921 -10.125 5.335 220 1HD LYS 29 HD2 LYS 29 11.840 -10.408 8.339 221 2HD LYS 29 HD1 LYS 29 10.919 -11.380 7.190 222 1HE LYS 29 HE2 LYS 29 13.024 -12.176 6.205 223 2HE LYS 29 HE1 LYS 29 13.925 -11.232 7.390 224 1HZ LYS 29 HZ1 LYS 29 12.876 -12.546 9.150 225 2HZ LYS 29 HZ2 LYS 29 13.772 -13.517 8.087 226 3HZ LYS 29 HZ3 LYS 29 12.079 -13.481 7.981 227 H VAL 30 HN VAL 30 11.507 -7.084 3.849 228 HA VAL 30 HA VAL 30 10.556 -4.805 5.350 229 HB VAL 30 HB VAL 30 9.288 -6.143 2.948 230 1HG1 VAL 30 HG11 VAL 30 8.881 -3.415 4.163 231 2HG1 VAL 30 HG12 VAL 30 7.735 -4.756 4.185 232 3HG1 VAL 30 HG13 VAL 30 8.155 -3.980 2.658 233 1HG2 VAL 30 HG21 VAL 30 11.180 -3.793 3.054 234 2HG2 VAL 30 HG22 VAL 30 10.344 -4.376 1.614 235 3HG2 VAL 30 HG23 VAL 30 11.544 -5.394 2.410 236 H LEU 31 HN LEU 31 8.946 -4.858 6.855 237 HA LEU 31 HA LEU 31 7.745 -7.502 7.262 238 1HB LEU 31 HB2 LEU 31 8.594 -5.423 9.256 239 2HB LEU 31 HB1 LEU 31 7.578 -6.792 9.681 240 HG LEU 31 HG LEU 31 10.335 -7.023 8.467 241 1HD1 LEU 31 HD11 LEU 31 10.421 -6.117 10.739 242 2HD1 LEU 31 HD12 LEU 31 11.074 -7.753 10.649 243 3HD1 LEU 31 HD13 LEU 31 9.461 -7.482 11.313 244 1HD2 LEU 31 HD21 LEU 31 8.475 -9.093 9.625 245 2HD2 LEU 31 HD22 LEU 31 10.122 -9.386 9.067 246 3HD2 LEU 31 HD23 LEU 31 8.878 -8.891 7.919 247 H LYS 32 HN LYS 32 6.920 -4.076 8.092 248 HA LYS 32 HA LYS 32 4.141 -4.944 7.595 249 1HB LYS 32 HB2 LYS 32 4.767 -4.122 9.954 250 2HB LYS 32 HB1 LYS 32 4.852 -2.518 9.231 251 1HG LYS 32 HG2 LYS 32 2.470 -3.200 8.311 252 2HG LYS 32 HG1 LYS 32 2.499 -4.260 9.719 253 1HD LYS 32 HD2 LYS 32 1.449 -2.233 10.389 254 2HD LYS 32 HD1 LYS 32 3.064 -2.236 11.102 255 1HE LYS 32 HE2 LYS 32 3.863 -0.648 9.572 256 2HE LYS 32 HE1 LYS 32 2.517 -0.912 8.463 257 1HZ LYS 32 HZ1 LYS 32 1.032 0.148 10.001 258 2HZ LYS 32 HZ2 LYS 32 2.343 1.188 9.710 259 3HZ LYS 32 HZ3 LYS 32 2.260 0.310 11.161 260 H GLN 33 HN GLN 33 3.316 -4.221 5.785 261 HA GLN 33 HA GLN 33 4.345 -1.688 4.682 262 1HB GLN 33 HB2 GLN 33 4.848 -3.698 3.334 263 2HB GLN 33 HB1 GLN 33 3.128 -4.049 3.234 264 1HG GLN 33 HG2 GLN 33 2.786 -1.926 2.050 265 2HG GLN 33 HG1 GLN 33 4.525 -1.639 2.103 266 1HE2 GLN 33 HE21 GLN 33 1.956 -3.423 0.639 267 2HE2 GLN 33 HE22 GLN 33 2.899 -4.150 -0.613 268 H SER 34 HN SER 34 2.862 -0.202 5.465 269 HA SER 34 HA SER 34 0.040 -0.810 5.211 270 1HB SER 34 HB2 SER 34 -0.201 1.585 6.111 271 2HB SER 34 HB1 SER 34 0.492 0.377 7.190 272 HG SER 34 HG SER 34 1.532 2.650 6.630 273 H SER 35 HN SER 35 -0.711 -0.786 3.253 274 HA SER 35 HA SER 35 0.218 1.207 1.321 275 1HB SER 35 HB2 SER 35 -1.546 -1.202 0.823 276 2HB SER 35 HB1 SER 35 -0.653 -0.256 -0.371 277 HG SER 35 HG SER 35 0.902 -1.285 1.644 278 H GLU 36 HN GLU 36 -0.922 3.031 1.768 279 HA GLU 36 HA GLU 36 -3.803 2.809 2.222 280 1HB GLU 36 HB2 GLU 36 -1.876 5.084 2.651 281 2HB GLU 36 HB1 GLU 36 -3.595 5.169 2.997 282 1HG GLU 36 HG2 GLU 36 -3.414 3.588 4.736 283 2HG GLU 36 HG1 GLU 36 -1.781 3.130 4.252 284 H THR 37 HN THR 37 -4.957 2.879 0.433 285 HA THR 37 HA THR 37 -4.094 4.568 -1.803 286 HB THR 37 HB THR 37 -6.301 2.498 -1.749 287 HG1 THR 37 HG1 THR 37 -4.809 1.037 -2.131 288 1HG2 THR 37 HG21 THR 37 -6.084 2.567 -4.188 289 2HG2 THR 37 HG22 THR 37 -4.858 3.826 -4.046 290 3HG2 THR 37 HG23 THR 37 -6.517 4.150 -3.542 291 H LYS 38 HN LYS 38 -4.931 6.547 -1.872 292 HA LYS 38 HA LYS 38 -7.511 7.038 -0.563 293 1HB LYS 38 HB2 LYS 38 -5.672 8.354 0.301 294 2HB LYS 38 HB1 LYS 38 -5.267 8.909 -1.315 295 1HG LYS 38 HG2 LYS 38 -7.122 10.322 -1.424 296 2HG LYS 38 HG1 LYS 38 -7.931 9.508 -0.079 297 1HD LYS 38 HD2 LYS 38 -6.417 10.415 1.498 298 2HD LYS 38 HD1 LYS 38 -5.314 10.964 0.239 299 1HE LYS 38 HE2 LYS 38 -8.116 12.011 0.417 300 2HE LYS 38 HE1 LYS 38 -6.830 12.690 1.410 301 1HZ LYS 38 HZ1 LYS 38 -6.582 12.449 -1.533 302 2HZ LYS 38 HZ2 LYS 38 -5.668 13.408 -0.478 303 3HZ LYS 38 HZ3 LYS 38 -7.286 13.804 -0.796 304 H ILE 39 HN ILE 39 -9.220 7.098 -1.838 305 HA ILE 39 HA ILE 39 -8.861 8.028 -4.617 306 HB ILE 39 HB ILE 39 -11.090 6.227 -3.657 307 1HG1 ILE 39 HG12 ILE 39 -9.642 4.531 -5.122 308 2HG1 ILE 39 HG11 ILE 39 -8.326 5.541 -4.534 309 1HG2 ILE 39 HG21 ILE 39 -11.352 5.743 -6.045 310 2HG2 ILE 39 HG22 ILE 39 -10.045 6.869 -6.409 311 3HG2 ILE 39 HG23 ILE 39 -11.545 7.461 -5.694 312 1HD1 ILE 39 HD11 ILE 39 -8.641 3.597 -3.120 313 2HD1 ILE 39 HD12 ILE 39 -10.316 4.063 -2.826 314 3HD1 ILE 39 HD13 ILE 39 -9.002 5.079 -2.233 315 H GLN 40 HN GLN 40 -9.958 9.826 -5.184 316 HA GLN 40 HA GLN 40 -11.885 10.968 -3.352 317 1HB GLN 40 HB2 GLN 40 -10.765 11.864 -6.001 318 2HB GLN 40 HB1 GLN 40 -12.134 12.683 -5.266 319 1HG GLN 40 HG2 GLN 40 -10.262 13.939 -4.659 320 2HG GLN 40 HG1 GLN 40 -10.673 13.004 -3.226 321 1HE2 GLN 40 HE21 GLN 40 -9.254 11.421 -2.504 322 2HE2 GLN 40 HE22 GLN 40 -7.641 11.269 -3.121 323 H PHE 41 HN PHE 41 -14.089 11.517 -4.019 324 HA PHE 41 HA PHE 41 -15.443 9.276 -5.022 325 1HB PHE 41 HB2 PHE 41 -16.312 12.093 -4.460 326 2HB PHE 41 HB1 PHE 41 -17.425 10.933 -5.170 327 HD1 PHE 41 HD1 PHE 41 -18.480 11.880 -2.864 328 HD2 PHE 41 HD2 PHE 41 -15.332 9.036 -3.191 329 HE1 PHE 41 HE1 PHE 41 -19.031 11.018 -0.627 330 HE2 PHE 41 HE2 PHE 41 -15.876 8.171 -0.955 331 HZ PHE 41 HZ PHE 41 -17.728 9.161 0.330 332 H ALA 42 HN ALA 42 -14.258 12.135 -6.624 333 HA ALA 42 HA ALA 42 -15.739 11.849 -9.025 334 1HB ALA 42 HB1 ALA 42 -13.084 13.212 -8.584 335 2HB ALA 42 HB2 ALA 42 -14.669 13.953 -8.365 336 3HB ALA 42 HB3 ALA 42 -14.152 13.434 -9.969 337 H SER 43 HN SER 43 -12.855 10.359 -7.802 338 HA SER 43 HA SER 43 -11.931 9.445 -10.376 339 1HB SER 43 HB2 SER 43 -11.017 8.522 -7.645 340 2HB SER 43 HB1 SER 43 -10.126 8.436 -9.165 341 HG SER 43 HG SER 43 -10.020 10.705 -9.181 342 H ILE 44 HN ILE 44 -13.634 8.091 -7.592 343 HA ILE 44 HA ILE 44 -13.656 5.437 -8.717 344 HB ILE 44 HB ILE 44 -13.561 5.611 -6.319 345 1HG1 ILE 44 HG12 ILE 44 -16.280 4.596 -7.182 346 2HG1 ILE 44 HG11 ILE 44 -14.775 3.686 -7.253 347 1HG2 ILE 44 HG21 ILE 44 -15.400 6.542 -4.990 348 2HG2 ILE 44 HG22 ILE 44 -16.191 7.073 -6.474 349 3HG2 ILE 44 HG23 ILE 44 -14.633 7.758 -6.011 350 1HD1 ILE 44 HD11 ILE 44 -14.610 3.782 -4.819 351 2HD1 ILE 44 HD12 ILE 44 -16.114 3.026 -5.344 352 3HD1 ILE 44 HD13 ILE 44 -16.121 4.689 -4.754 353 H GLY 45 HN GLY 45 -15.829 8.185 -8.566 354 1HA GLY 45 HA2 GLY 45 -17.556 8.584 -10.112 355 2HA GLY 45 HA1 GLY 45 -17.540 6.879 -10.541 356 H ALA 46 HN ALA 46 -17.514 7.542 -7.204 357 HA ALA 46 HA ALA 46 -20.176 6.410 -6.948 358 1HB ALA 46 HB1 ALA 46 -19.658 6.224 -4.573 359 2HB ALA 46 HB2 ALA 46 -18.163 7.127 -4.817 360 3HB ALA 46 HB3 ALA 46 -18.360 5.536 -5.552 361 H THR 47 HN THR 47 -21.954 7.520 -6.392 362 HA THR 47 HA THR 47 -21.725 10.402 -6.141 363 HB THR 47 HB THR 47 -23.405 9.392 -7.672 364 HG1 THR 47 HG1 THR 47 -24.060 11.380 -7.176 365 1HG2 THR 47 HG21 THR 47 -24.748 8.496 -5.121 366 2HG2 THR 47 HG22 THR 47 -24.025 7.445 -6.338 367 3HG2 THR 47 HG23 THR 47 -25.447 8.408 -6.737 368 H THR 48 HN THR 48 -21.990 7.710 -4.112 369 HA THR 48 HA THR 48 -22.415 9.449 -1.798 370 HB THR 48 HB THR 48 -23.785 7.620 -0.726 371 HG1 THR 48 HG1 THR 48 -24.854 6.488 -2.834 372 1HG2 THR 48 HG21 THR 48 -25.893 8.235 -1.821 373 2HG2 THR 48 HG22 THR 48 -24.990 8.918 -3.173 374 3HG2 THR 48 HG23 THR 48 -24.863 9.643 -1.571 375 H LYS 49 HN LYS 49 -21.608 8.434 0.217 376 HA LYS 49 HA LYS 49 -19.266 6.830 -0.250 377 1HB LYS 49 HB2 LYS 49 -18.909 6.969 2.160 378 2HB LYS 49 HB1 LYS 49 -19.284 8.557 1.508 379 1HG LYS 49 HG2 LYS 49 -21.643 8.216 2.271 380 2HG LYS 49 HG1 LYS 49 -21.095 6.750 3.089 381 1HD LYS 49 HD2 LYS 49 -19.460 8.123 4.350 382 2HD LYS 49 HD1 LYS 49 -20.136 9.566 3.594 383 1HE LYS 49 HE2 LYS 49 -21.533 7.642 5.442 384 2HE LYS 49 HE1 LYS 49 -21.102 9.318 5.775 385 1HZ LYS 49 HZ1 LYS 49 -23.173 8.301 3.908 386 2HZ LYS 49 HZ2 LYS 49 -22.620 9.907 3.870 387 3HZ LYS 49 HZ3 LYS 49 -23.381 9.308 5.261 388 H GLU 50 HN GLU 50 -22.555 6.332 0.487 389 HA GLU 50 HA GLU 50 -22.471 3.716 1.529 390 1HB GLU 50 HB2 GLU 50 -24.576 5.158 -0.095 391 2HB GLU 50 HB1 GLU 50 -24.825 3.585 0.641 392 1HG GLU 50 HG2 GLU 50 -25.823 5.295 2.005 393 2HG GLU 50 HG1 GLU 50 -24.464 4.575 2.857 394 H ASP 51 HN ASP 51 -22.889 4.920 -1.811 395 HA ASP 51 HA ASP 51 -22.690 2.317 -2.969 396 1HB ASP 51 HB2 ASP 51 -22.983 5.058 -3.960 397 2HB ASP 51 HB1 ASP 51 -21.996 4.038 -5.002 398 H ALA 52 HN ALA 52 -20.402 4.739 -2.000 399 HA ALA 52 HA ALA 52 -18.144 3.798 -3.383 400 1HB ALA 52 HB1 ALA 52 -18.269 5.073 -0.650 401 2HB ALA 52 HB2 ALA 52 -18.147 5.929 -2.187 402 3HB ALA 52 HB3 ALA 52 -16.823 4.900 -1.643 403 H ALA 53 HN ALA 53 -19.389 2.986 -0.142 404 HA ALA 53 HA ALA 53 -17.584 0.924 0.445 405 1HB ALA 53 HB1 ALA 53 -19.258 0.139 2.039 406 2HB ALA 53 HB2 ALA 53 -20.477 1.162 1.274 407 3HB ALA 53 HB3 ALA 53 -19.105 1.896 2.103 408 H LYS 54 HN LYS 54 -20.767 0.835 -1.068 409 HA LYS 54 HA LYS 54 -21.067 -1.842 -1.608 410 1HB LYS 54 HB2 LYS 54 -22.877 -0.441 -2.036 411 2HB LYS 54 HB1 LYS 54 -21.917 0.673 -2.989 412 1HG LYS 54 HG2 LYS 54 -21.800 -1.046 -4.775 413 2HG LYS 54 HG1 LYS 54 -22.908 -2.042 -3.820 414 1HD LYS 54 HD2 LYS 54 -24.654 -0.506 -4.025 415 2HD LYS 54 HD1 LYS 54 -23.572 0.801 -4.501 416 1HE LYS 54 HE2 LYS 54 -23.112 -0.503 -6.606 417 2HE LYS 54 HE1 LYS 54 -24.433 -1.577 -6.133 418 1HZ LYS 54 HZ1 LYS 54 -25.167 0.181 -7.646 419 2HZ LYS 54 HZ2 LYS 54 -24.675 1.361 -6.531 420 3HZ LYS 54 HZ3 LYS 54 -25.938 0.296 -6.142 421 H THR 55 HN THR 55 -18.985 0.463 -3.211 422 HA THR 55 HA THR 55 -18.376 -1.408 -5.353 423 HB THR 55 HB THR 55 -17.254 1.359 -4.870 424 HG1 THR 55 HG1 THR 55 -19.471 1.517 -5.233 425 1HG2 THR 55 HG21 THR 55 -15.865 -0.023 -6.344 426 2HG2 THR 55 HG22 THR 55 -16.659 1.266 -7.250 427 3HG2 THR 55 HG23 THR 55 -17.274 -0.384 -7.341 428 H LEU 56 HN LEU 56 -16.801 0.055 -2.530 429 HA LEU 56 HA LEU 56 -14.224 -1.018 -3.282 430 1HB LEU 56 HB2 LEU 56 -15.106 0.579 -0.887 431 2HB LEU 56 HB1 LEU 56 -13.454 0.069 -1.172 432 HG LEU 56 HG LEU 56 -15.055 1.912 -2.950 433 1HD1 LEU 56 HD11 LEU 56 -14.423 2.960 -0.847 434 2HD1 LEU 56 HD12 LEU 56 -13.487 3.627 -2.184 435 3HD1 LEU 56 HD13 LEU 56 -12.748 2.460 -1.085 436 1HD2 LEU 56 HD21 LEU 56 -12.174 1.032 -3.121 437 2HD2 LEU 56 HD22 LEU 56 -12.949 2.242 -4.145 438 3HD2 LEU 56 HD23 LEU 56 -13.470 0.559 -4.220 439 H GLU 57 HN GLU 57 -16.669 -1.720 -0.809 440 HA GLU 57 HA GLU 57 -15.177 -3.198 0.963 441 1HB GLU 57 HB2 GLU 57 -18.046 -3.590 0.146 442 2HB GLU 57 HB1 GLU 57 -17.294 -4.473 1.467 443 1HG GLU 57 HG2 GLU 57 -16.754 -2.288 2.519 444 2HG GLU 57 HG1 GLU 57 -17.705 -1.504 1.260 445 HA PRO 58 HA PRO 58 -16.043 -7.305 -1.523 446 1HB PRO 58 HB2 PRO 58 -16.366 -6.913 -4.237 447 2HB PRO 58 HB1 PRO 58 -17.677 -7.214 -3.095 448 1HG PRO 58 HG2 PRO 58 -16.724 -4.636 -4.253 449 2HG PRO 58 HG1 PRO 58 -18.379 -5.170 -3.905 450 1HD PRO 58 HD2 PRO 58 -17.065 -3.440 -2.314 451 2HD PRO 58 HD1 PRO 58 -18.216 -4.624 -1.662 452 H LEU 59 HN LEU 59 -14.239 -4.558 -2.582 453 HA LEU 59 HA LEU 59 -12.202 -6.184 -3.883 454 1HB LEU 59 HB2 LEU 59 -12.672 -3.253 -3.574 455 2HB LEU 59 HB1 LEU 59 -11.043 -3.811 -3.892 456 HG LEU 59 HG LEU 59 -11.811 -4.877 -5.973 457 1HD1 LEU 59 HD11 LEU 59 -14.474 -3.619 -5.327 458 2HD1 LEU 59 HD12 LEU 59 -14.117 -5.346 -5.336 459 3HD1 LEU 59 HD13 LEU 59 -14.047 -4.424 -6.837 460 1HD2 LEU 59 HD21 LEU 59 -12.206 -2.820 -7.225 461 2HD2 LEU 59 HD22 LEU 59 -10.946 -2.599 -6.011 462 3HD2 LEU 59 HD23 LEU 59 -12.568 -1.970 -5.724 463 H SER 60 HN SER 60 -12.508 -4.048 -1.052 464 HA SER 60 HA SER 60 -9.939 -4.560 -0.006 465 1HB SER 60 HB2 SER 60 -12.374 -3.961 1.667 466 2HB SER 60 HB1 SER 60 -10.705 -3.476 1.955 467 HG SER 60 HG SER 60 -10.889 -2.172 0.013 468 H ALA 61 HN ALA 61 -12.987 -6.254 0.195 469 HA ALA 61 HA ALA 61 -12.327 -7.990 2.340 470 1HB ALA 61 HB1 ALA 61 -14.633 -7.515 1.676 471 2HB ALA 61 HB2 ALA 61 -14.299 -9.247 1.689 472 3HB ALA 61 HB3 ALA 61 -14.369 -8.372 0.158 473 H LYS 62 HN LYS 62 -11.087 -7.877 -0.761 474 HA LYS 62 HA LYS 62 -10.718 -10.679 -1.193 475 1HB LYS 62 HB2 LYS 62 -9.262 -8.273 -2.313 476 2HB LYS 62 HB1 LYS 62 -8.981 -9.928 -2.840 477 1HG LYS 62 HG2 LYS 62 -11.157 -10.116 -3.744 478 2HG LYS 62 HG1 LYS 62 -11.692 -8.636 -2.947 479 1HD LYS 62 HD2 LYS 62 -11.355 -8.121 -5.245 480 2HD LYS 62 HD1 LYS 62 -10.027 -7.389 -4.346 481 1HE LYS 62 HE2 LYS 62 -9.112 -8.378 -6.306 482 2HE LYS 62 HE1 LYS 62 -8.638 -9.380 -4.937 483 1HZ LYS 62 HZ1 LYS 62 -9.463 -10.551 -7.010 484 2HZ LYS 62 HZ2 LYS 62 -11.014 -10.018 -6.587 485 3HZ LYS 62 HZ3 LYS 62 -10.155 -11.038 -5.544 486 H TYR 63 HN TYR 63 -9.049 -8.172 0.570 487 HA TYR 63 HA TYR 63 -6.790 -9.800 1.284 488 1HB TYR 63 HB2 TYR 63 -7.929 -7.268 2.490 489 2HB TYR 63 HB1 TYR 63 -6.478 -8.059 3.089 490 HD1 TYR 63 HD1 TYR 63 -7.884 -5.915 0.520 491 HD2 TYR 63 HD2 TYR 63 -4.453 -8.153 1.675 492 HE1 TYR 63 HE1 TYR 63 -6.525 -4.666 -1.107 493 HE2 TYR 63 HE2 TYR 63 -3.086 -6.912 0.054 494 HH TYR 63 HH TYR 63 -4.182 -4.081 -1.487 495 H LYS 64 HN LYS 64 -9.899 -8.977 2.628 496 HA LYS 64 HA LYS 64 -11.230 -9.902 4.196 497 1HB LYS 64 HB2 LYS 64 -10.621 -11.896 2.650 498 2HB LYS 64 HB1 LYS 64 -9.643 -12.436 4.006 499 1HG LYS 64 HG2 LYS 64 -11.640 -12.449 5.428 500 2HG LYS 64 HG1 LYS 64 -12.613 -11.942 4.044 501 1HD LYS 64 HD2 LYS 64 -11.805 -13.996 2.849 502 2HD LYS 64 HD1 LYS 64 -11.082 -14.516 4.371 503 1HE LYS 64 HE2 LYS 64 -14.003 -14.026 3.818 504 2HE LYS 64 HE1 LYS 64 -13.226 -15.580 4.106 505 1HZ LYS 64 HZ1 LYS 64 -14.205 -15.028 6.123 506 2HZ LYS 64 HZ2 LYS 64 -13.746 -13.400 6.030 507 3HZ LYS 64 HZ3 LYS 64 -12.579 -14.592 6.347 508 H ASN 65 HN ASN 65 -8.742 -12.079 5.195 509 HA ASN 65 HA ASN 65 -7.466 -10.471 7.122 510 1HB ASN 65 HB2 ASN 65 -9.803 -10.805 8.152 511 2HB ASN 65 HB1 ASN 65 -9.348 -12.494 8.349 512 1HD2 ASN 65 HD21 ASN 65 -7.068 -9.863 8.639 513 2HD2 ASN 65 HD22 ASN 65 -6.802 -10.025 10.338 514 H ILE 66 HN ILE 66 -6.850 -12.190 5.036 515 HA ILE 66 HA ILE 66 -6.212 -14.827 5.533 516 HB ILE 66 HB ILE 66 -4.363 -12.921 4.092 517 1HG1 ILE 66 HG12 ILE 66 -6.865 -14.259 3.038 518 2HG1 ILE 66 HG11 ILE 66 -6.682 -12.536 3.373 519 1HG2 ILE 66 HG21 ILE 66 -4.976 -15.845 3.666 520 2HG2 ILE 66 HG22 ILE 66 -3.506 -15.183 4.380 521 3HG2 ILE 66 HG23 ILE 66 -3.881 -14.869 2.686 522 1HD1 ILE 66 HD11 ILE 66 -5.166 -14.105 1.302 523 2HD1 ILE 66 HD12 ILE 66 -4.966 -12.388 1.647 524 3HD1 ILE 66 HD13 ILE 66 -6.496 -12.985 1.006 525 H ALA 67 HN ALA 67 -4.528 -11.965 6.544 526 HA ALA 67 HA ALA 67 -2.919 -13.404 8.476 527 1HB ALA 67 HB1 ALA 67 -1.679 -11.753 6.263 528 2HB ALA 67 HB2 ALA 67 -1.498 -13.492 6.491 529 3HB ALA 67 HB3 ALA 67 -0.814 -12.371 7.670 530 H GLY 68 HN GLY 68 -1.172 -10.972 8.688 531 1HA GLY 68 HA2 GLY 68 -2.932 -9.266 10.173 532 2HA GLY 68 HA1 GLY 68 -1.228 -8.978 9.845 533 H VAL 69 HN VAL 69 -3.561 -9.587 7.321 534 HA VAL 69 HA VAL 69 -2.984 -7.003 6.151 535 HB VAL 69 HB VAL 69 -4.567 -7.928 4.292 536 1HG1 VAL 69 HG11 VAL 69 -2.688 -9.129 3.276 537 2HG1 VAL 69 HG12 VAL 69 -1.873 -9.173 4.840 538 3HG1 VAL 69 HG13 VAL 69 -2.159 -7.630 4.038 539 1HG2 VAL 69 HG21 VAL 69 -5.434 -9.793 5.656 540 2HG2 VAL 69 HG22 VAL 69 -3.814 -10.495 5.664 541 3HG2 VAL 69 HG23 VAL 69 -4.693 -10.324 4.145 542 H GLU 70 HN GLU 70 -4.042 -5.411 7.054 543 HA GLU 70 HA GLU 70 -6.823 -5.730 7.882 544 1HB GLU 70 HB2 GLU 70 -5.017 -3.325 8.166 545 2HB GLU 70 HB1 GLU 70 -6.561 -3.578 8.961 546 1HG GLU 70 HG2 GLU 70 -5.592 -5.457 10.207 547 2HG GLU 70 HG1 GLU 70 -4.035 -5.141 9.434 548 H GLU 71 HN GLU 71 -8.520 -4.721 6.903 549 HA GLU 71 HA GLU 71 -7.867 -2.829 4.752 550 1HB GLU 71 HB2 GLU 71 -10.398 -3.560 4.122 551 2HB GLU 71 HB1 GLU 71 -8.964 -4.318 3.452 552 1HG GLU 71 HG2 GLU 71 -10.477 -6.030 4.110 553 2HG GLU 71 HG1 GLU 71 -9.117 -6.049 5.226 554 H LYS 72 HN LYS 72 -7.933 -0.967 5.885 555 HA LYS 72 HA LYS 72 -10.278 -0.448 7.574 556 1HB LYS 72 HB2 LYS 72 -8.011 -0.141 8.545 557 2HB LYS 72 HB1 LYS 72 -7.691 1.100 7.346 558 1HG LYS 72 HG2 LYS 72 -9.674 2.346 8.284 559 2HG LYS 72 HG1 LYS 72 -9.668 1.177 9.603 560 1HD LYS 72 HD2 LYS 72 -7.287 2.865 8.850 561 2HD LYS 72 HD1 LYS 72 -8.460 3.329 10.077 562 1HE LYS 72 HE2 LYS 72 -6.614 2.368 11.215 563 2HE LYS 72 HE1 LYS 72 -7.916 1.185 11.267 564 1HZ LYS 72 HZ1 LYS 72 -6.850 -0.165 9.719 565 2HZ LYS 72 HZ2 LYS 72 -5.585 0.363 10.713 566 3HZ LYS 72 HZ3 LYS 72 -5.817 1.071 9.187 567 H LEU 73 HN LEU 73 -11.841 0.157 6.175 568 HA LEU 73 HA LEU 73 -11.276 2.042 4.052 569 1HB LEU 73 HB2 LEU 73 -13.776 0.586 4.897 570 2HB LEU 73 HB1 LEU 73 -13.740 1.743 3.579 571 HG LEU 73 HG LEU 73 -12.032 -0.744 3.660 572 1HD1 LEU 73 HD11 LEU 73 -14.382 -1.376 3.598 573 2HD1 LEU 73 HD12 LEU 73 -13.610 -1.683 2.042 574 3HD1 LEU 73 HD13 LEU 73 -14.653 -0.276 2.247 575 1HD2 LEU 73 HD21 LEU 73 -12.714 1.179 1.442 576 2HD2 LEU 73 HD22 LEU 73 -11.742 -0.283 1.276 577 3HD2 LEU 73 HD23 LEU 73 -11.161 1.055 2.267 578 H THR 74 HN THR 74 -11.136 4.108 4.542 579 HA THR 74 HA THR 74 -12.822 5.175 6.690 580 HB THR 74 HB THR 74 -11.292 7.207 6.476 581 HG1 THR 74 HG1 THR 74 -9.955 5.350 4.799 582 1HG2 THR 74 HG21 THR 74 -10.084 4.572 7.318 583 2HG2 THR 74 HG22 THR 74 -11.104 5.612 8.313 584 3HG2 THR 74 HG23 THR 74 -9.510 6.169 7.802 585 H TYR 75 HN TYR 75 -14.675 5.962 6.012 586 HA TYR 75 HA TYR 75 -14.915 6.972 3.290 587 1HB TYR 75 HB2 TYR 75 -17.067 6.428 5.345 588 2HB TYR 75 HB1 TYR 75 -17.330 6.837 3.654 589 HD1 TYR 75 HD1 TYR 75 -16.673 5.210 1.882 590 HD2 TYR 75 HD2 TYR 75 -16.575 4.210 6.015 591 HE1 TYR 75 HE1 TYR 75 -16.611 2.823 1.298 592 HE2 TYR 75 HE2 TYR 75 -16.511 1.820 5.443 593 HH TYR 75 HH TYR 75 -16.995 0.338 3.684 594 H THR 76 HN THR 76 -14.276 9.033 3.170 595 HA THR 76 HA THR 76 -15.613 10.957 4.956 596 HB THR 76 HB THR 76 -13.210 11.440 3.167 597 HG1 THR 76 HG1 THR 76 -13.289 10.105 5.413 598 1HG2 THR 76 HG21 THR 76 -12.957 13.503 4.479 599 2HG2 THR 76 HG22 THR 76 -14.428 13.116 5.371 600 3HG2 THR 76 HG23 THR 76 -14.511 13.462 3.643 601 H ASP 77 HN ASP 77 -16.741 12.695 3.977 602 HA ASP 77 HA ASP 77 -18.169 11.964 1.654 603 1HB ASP 77 HB2 ASP 77 -18.034 14.642 3.052 604 2HB ASP 77 HB1 ASP 77 -19.247 14.169 1.869 605 H THR 78 HN THR 78 -15.137 13.332 1.927 606 HA THR 78 HA THR 78 -15.311 14.641 -0.693 607 HB THR 78 HB THR 78 -12.966 14.711 1.210 608 HG1 THR 78 HG1 THR 78 -15.401 16.077 1.258 609 1HG2 THR 78 HG21 THR 78 -12.489 15.368 -1.102 610 2HG2 THR 78 HG22 THR 78 -12.393 16.754 -0.016 611 3HG2 THR 78 HG23 THR 78 -13.808 16.538 -1.045 612 H TYR 79 HN TYR 79 -13.918 11.924 1.001 613 HA TYR 79 HA TYR 79 -12.958 10.740 -1.415 614 1HB TYR 79 HB2 TYR 79 -10.583 10.645 -0.807 615 2HB TYR 79 HB1 TYR 79 -11.112 12.313 -0.995 616 HD1 TYR 79 HD1 TYR 79 -9.970 9.765 1.384 617 HD2 TYR 79 HD2 TYR 79 -11.232 13.805 0.927 618 HE1 TYR 79 HE1 TYR 79 -9.092 10.287 3.620 619 HE2 TYR 79 HE2 TYR 79 -10.356 14.335 3.164 620 HH TYR 79 HH TYR 79 -8.325 12.197 4.900 621 H ALA 80 HN ALA 80 -12.363 8.573 -1.155 622 HA ALA 80 HA ALA 80 -12.869 7.455 1.527 623 1HB ALA 80 HB1 ALA 80 -14.548 6.761 -0.115 624 2HB ALA 80 HB2 ALA 80 -13.564 5.394 0.407 625 3HB ALA 80 HB3 ALA 80 -13.272 6.141 -1.164 626 H GLN 81 HN GLN 81 -11.074 6.729 2.485 627 HA GLN 81 HA GLN 81 -8.774 6.087 0.763 628 1HB GLN 81 HB2 GLN 81 -8.576 7.904 2.538 629 2HB GLN 81 HB1 GLN 81 -8.685 6.618 3.732 630 1HG GLN 81 HG2 GLN 81 -6.710 5.555 2.524 631 2HG GLN 81 HG1 GLN 81 -6.528 7.105 1.705 632 1HE2 GLN 81 HE21 GLN 81 -7.560 6.633 5.031 633 2HE2 GLN 81 HE22 GLN 81 -6.178 7.369 5.759 634 H GLU 82 HN GLU 82 -8.362 4.031 0.473 635 HA GLU 82 HA GLU 82 -9.278 2.030 2.363 636 1HB GLU 82 HB2 GLU 82 -9.466 1.663 -0.094 637 2HB GLU 82 HB1 GLU 82 -7.712 1.704 -0.211 638 1HG GLU 82 HG2 GLU 82 -7.570 -0.271 1.219 639 2HG GLU 82 HG1 GLU 82 -9.328 -0.312 1.336 640 H ASN 83 HN ASN 83 -8.049 2.398 4.168 641 HA ASN 83 HA ASN 83 -5.165 2.526 4.035 642 1HB ASN 83 HB2 ASN 83 -6.190 3.837 5.755 643 2HB ASN 83 HB1 ASN 83 -7.149 2.476 6.317 644 1HD2 ASN 83 HD21 ASN 83 -4.047 4.019 6.376 645 2HD2 ASN 83 HD22 ASN 83 -3.370 3.050 7.637 646 H VAL 84 HN VAL 84 -4.160 0.692 3.475 647 HA VAL 84 HA VAL 84 -5.247 -1.838 4.545 648 HB VAL 84 HB VAL 84 -3.469 -1.449 2.129 649 1HG1 VAL 84 HG11 VAL 84 -3.142 -3.617 3.187 650 2HG1 VAL 84 HG12 VAL 84 -3.973 -3.795 1.642 651 3HG1 VAL 84 HG13 VAL 84 -4.881 -3.910 3.149 652 1HG2 VAL 84 HG21 VAL 84 -5.454 -2.021 0.811 653 2HG2 VAL 84 HG22 VAL 84 -5.688 -0.539 1.736 654 3HG2 VAL 84 HG23 VAL 84 -6.419 -2.046 2.287 655 H THR 85 HN THR 85 -4.030 -3.048 5.877 656 HA THR 85 HA THR 85 -1.185 -2.330 6.140 657 HB THR 85 HB THR 85 -2.886 -3.874 8.111 658 HG1 THR 85 HG1 THR 85 -3.177 -2.021 9.176 659 1HG2 THR 85 HG21 THR 85 -0.092 -2.750 8.331 660 2HG2 THR 85 HG22 THR 85 -0.524 -4.458 8.223 661 3HG2 THR 85 HG23 THR 85 -0.992 -3.516 9.640 662 H ILE 86 HN ILE 86 -0.034 -3.635 4.817 663 HA ILE 86 HA ILE 86 -0.749 -6.476 4.703 664 HB ILE 86 HB ILE 86 1.266 -4.962 3.026 665 1HG1 ILE 86 HG12 ILE 86 -1.528 -5.919 2.347 666 2HG1 ILE 86 HG11 ILE 86 -1.059 -4.243 2.610 667 1HG2 ILE 86 HG21 ILE 86 1.251 -6.970 1.610 668 2HG2 ILE 86 HG22 ILE 86 0.177 -7.766 2.760 669 3HG2 ILE 86 HG23 ILE 86 1.815 -7.323 3.242 670 1HD1 ILE 86 HD11 ILE 86 -1.272 -4.758 0.244 671 2HD1 ILE 86 HD12 ILE 86 -0.052 -6.022 0.402 672 3HD1 ILE 86 HD13 ILE 86 0.389 -4.334 0.657 673 H ASP 87 HN ASP 87 0.060 -7.410 6.487 674 HA ASP 87 HA ASP 87 2.737 -6.708 7.406 675 1HB ASP 87 HB2 ASP 87 0.666 -6.937 8.917 676 2HB ASP 87 HB1 ASP 87 0.865 -8.673 8.713 677 H MET 88 HN MET 88 4.402 -7.793 6.665 678 HA MET 88 HA MET 88 3.972 -10.053 4.920 679 1HB MET 88 HB2 MET 88 6.562 -8.699 5.679 680 2HB MET 88 HB1 MET 88 6.302 -9.765 4.310 681 1HG MET 88 HG2 MET 88 4.873 -7.147 4.632 682 2HG MET 88 HG1 MET 88 6.427 -7.299 3.820 683 1HE MET 88 HE1 MET 88 5.667 -6.311 1.586 684 2HE MET 88 HE2 MET 88 4.103 -5.945 2.316 685 3HE MET 88 HE3 MET 88 4.176 -6.754 0.751 686 H GLU 89 HN GLU 89 4.144 -10.110 8.127 687 HA GLU 89 HA GLU 89 6.208 -12.191 8.267 688 1HB GLU 89 HB2 GLU 89 6.074 -11.837 10.747 689 2HB GLU 89 HB1 GLU 89 6.648 -10.456 9.827 690 1HG GLU 89 HG2 GLU 89 5.216 -9.358 11.169 691 2HG GLU 89 HG1 GLU 89 4.053 -9.839 9.935 692 H LYS 90 HN LYS 90 3.024 -12.028 7.766 693 HA LYS 90 HA LYS 90 2.616 -14.730 8.823 694 1HB LYS 90 HB2 LYS 90 1.712 -12.992 10.426 695 2HB LYS 90 HB1 LYS 90 0.575 -12.529 9.172 696 1HG LYS 90 HG2 LYS 90 -0.375 -14.792 9.218 697 2HG LYS 90 HG1 LYS 90 0.746 -15.219 10.515 698 1HD LYS 90 HD2 LYS 90 -0.209 -13.368 11.871 699 2HD LYS 90 HD1 LYS 90 -1.399 -13.098 10.597 700 1HE LYS 90 HE2 LYS 90 -2.272 -15.343 10.912 701 2HE LYS 90 HE1 LYS 90 -1.046 -15.667 12.138 702 1HZ LYS 90 HZ1 LYS 90 -3.287 -13.726 12.299 703 2HZ LYS 90 HZ2 LYS 90 -2.007 -13.769 13.414 704 3HZ LYS 90 HZ3 LYS 90 -3.039 -15.106 13.259 705 H VAL 91 HN VAL 91 2.699 -12.855 6.203 706 HA VAL 91 HA VAL 91 0.154 -13.183 5.005 707 HB VAL 91 HB VAL 91 1.486 -12.726 2.824 708 1HG1 VAL 91 HG11 VAL 91 1.349 -10.673 5.023 709 2HG1 VAL 91 HG12 VAL 91 0.046 -11.105 3.914 710 3HG1 VAL 91 HG13 VAL 91 1.509 -10.337 3.298 711 1HG2 VAL 91 HG21 VAL 91 3.622 -11.576 3.198 712 2HG2 VAL 91 HG22 VAL 91 3.690 -13.272 3.674 713 3HG2 VAL 91 HG23 VAL 91 3.549 -12.017 4.904 714 H ASP 92 HN ASP 92 -0.580 -14.516 3.464 715 HA ASP 92 HA ASP 92 1.153 -16.731 2.611 716 1HB ASP 92 HB2 ASP 92 -0.739 -17.667 3.761 717 2HB ASP 92 HB1 ASP 92 -1.857 -16.612 2.901 718 H PHE 93 HN PHE 93 2.011 -16.101 0.735 719 HA PHE 93 HA PHE 93 0.835 -14.159 -0.946 720 1HB PHE 93 HB2 PHE 93 3.113 -16.087 -1.424 721 2HB PHE 93 HB1 PHE 93 2.641 -14.838 -2.571 722 HD1 PHE 93 HD1 PHE 93 2.830 -12.442 -1.918 723 HD2 PHE 93 HD2 PHE 93 4.433 -15.580 0.469 724 HE1 PHE 93 HE1 PHE 93 4.261 -10.817 -0.749 725 HE2 PHE 93 HE2 PHE 93 5.866 -13.959 1.643 726 HZ PHE 93 HZ PHE 93 5.780 -11.574 1.034 727 H LYS 94 HN LYS 94 0.420 -17.543 -0.689 728 HA LYS 94 HA LYS 94 -0.345 -18.227 -3.298 729 1HB LYS 94 HB2 LYS 94 0.111 -19.873 -1.517 730 2HB LYS 94 HB1 LYS 94 -1.344 -19.359 -0.675 731 1HG LYS 94 HG2 LYS 94 -2.654 -20.059 -2.681 732 2HG LYS 94 HG1 LYS 94 -1.167 -20.744 -3.336 733 1HD LYS 94 HD2 LYS 94 -2.361 -22.520 -2.295 734 2HD LYS 94 HD1 LYS 94 -0.997 -22.128 -1.247 735 1HE LYS 94 HE2 LYS 94 -3.671 -20.867 -0.785 736 2HE LYS 94 HE1 LYS 94 -3.357 -22.504 -0.219 737 1HZ LYS 94 HZ1 LYS 94 -1.704 -20.138 0.503 738 2HZ LYS 94 HZ2 LYS 94 -1.564 -21.710 1.128 739 3HZ LYS 94 HZ3 LYS 94 -2.938 -20.781 1.467 740 H ALA 95 HN ALA 95 -2.148 -16.802 -0.621 741 HA ALA 95 HA ALA 95 -4.575 -16.697 -2.224 742 1HB ALA 95 HB1 ALA 95 -5.609 -15.720 -0.245 743 2HB ALA 95 HB2 ALA 95 -4.036 -15.645 0.550 744 3HB ALA 95 HB3 ALA 95 -4.754 -17.208 0.161 745 H LEU 96 HN LEU 96 -1.901 -14.695 -1.351 746 HA LEU 96 HA LEU 96 -3.093 -12.162 -1.754 747 1HB LEU 96 HB2 LEU 96 -0.823 -12.858 -0.642 748 2HB LEU 96 HB1 LEU 96 -0.184 -12.670 -2.260 749 HG LEU 96 HG LEU 96 -1.667 -10.455 -0.850 750 1HD1 LEU 96 HD11 LEU 96 0.253 -11.099 0.512 751 2HD1 LEU 96 HD12 LEU 96 0.506 -9.528 -0.251 752 3HD1 LEU 96 HD13 LEU 96 1.304 -10.961 -0.898 753 1HD2 LEU 96 HD21 LEU 96 -1.462 -10.234 -3.275 754 2HD2 LEU 96 HD22 LEU 96 0.283 -10.452 -3.153 755 3HD2 LEU 96 HD23 LEU 96 -0.480 -9.030 -2.441 756 H GLN 97 HN GLN 97 -1.597 -14.490 -3.925 757 HA GLN 97 HA GLN 97 -1.422 -12.808 -6.193 758 1HB GLN 97 HB2 GLN 97 -1.249 -14.869 -7.502 759 2HB GLN 97 HB1 GLN 97 -0.229 -14.941 -6.072 760 1HG GLN 97 HG2 GLN 97 -1.882 -16.323 -4.947 761 2HG GLN 97 HG1 GLN 97 -2.935 -16.226 -6.356 762 1HE2 GLN 97 HE21 GLN 97 -2.934 -18.456 -6.611 763 2HE2 GLN 97 HE22 GLN 97 -1.561 -19.316 -7.213 764 H GLY 98 HN GLY 98 -4.069 -14.449 -4.687 765 1HA GLY 98 HA2 GLY 98 -5.849 -14.253 -6.941 766 2HA GLY 98 HA1 GLY 98 -6.293 -14.658 -5.288 767 H ILE 99 HN ILE 99 -4.745 -12.156 -4.481 768 HA ILE 99 HA ILE 99 -7.000 -10.348 -4.652 769 HB ILE 99 HB ILE 99 -4.343 -9.846 -3.316 770 1HG1 ILE 99 HG12 ILE 99 -6.855 -10.950 -2.042 771 2HG1 ILE 99 HG11 ILE 99 -5.450 -11.923 -2.468 772 1HG2 ILE 99 HG21 ILE 99 -5.616 -8.233 -1.977 773 2HG2 ILE 99 HG22 ILE 99 -7.066 -8.614 -2.905 774 3HG2 ILE 99 HG23 ILE 99 -5.686 -7.855 -3.699 775 1HD1 ILE 99 HD11 ILE 99 -5.449 -11.372 -0.108 776 2HD1 ILE 99 HD12 ILE 99 -5.493 -9.651 -0.495 777 3HD1 ILE 99 HD13 ILE 99 -4.081 -10.616 -0.927 778 H SER 100 HN SER 100 -3.573 -9.650 -4.865 779 HA SER 100 HA SER 100 -4.079 -8.059 -7.289 780 1HB SER 100 HB2 SER 100 -3.546 -6.701 -5.233 781 2HB SER 100 HB1 SER 100 -1.981 -7.519 -5.160 782 HG SER 100 HG SER 100 -2.939 -5.642 -7.019 783 H GLY 101 HN GLY 101 -2.075 -10.333 -5.592 784 1HA GLY 101 HA2 GLY 101 -0.240 -11.576 -6.201 785 2HA GLY 101 HA1 GLY 101 -0.699 -11.272 -7.869 786 H ILE 102 HN ILE 102 -0.315 -8.397 -6.212 787 HA ILE 102 HA ILE 102 1.076 -6.647 -6.514 788 HB ILE 102 HB ILE 102 3.238 -8.765 -6.441 789 1HG1 ILE 102 HG12 ILE 102 2.069 -7.032 -4.250 790 2HG1 ILE 102 HG11 ILE 102 1.740 -8.746 -4.472 791 1HG2 ILE 102 HG21 ILE 102 3.410 -5.782 -5.994 792 2HG2 ILE 102 HG22 ILE 102 4.061 -6.661 -7.377 793 3HG2 ILE 102 HG23 ILE 102 4.728 -6.932 -5.766 794 1HD1 ILE 102 HD11 ILE 102 3.339 -8.375 -2.700 795 2HD1 ILE 102 HD12 ILE 102 4.409 -7.526 -3.818 796 3HD1 ILE 102 HD13 ILE 102 4.085 -9.247 -4.039 797 H ASN 103 HN ASN 103 0.275 -6.112 -8.508 798 HA ASN 103 HA ASN 103 1.039 -7.553 -10.863 799 1HB ASN 103 HB2 ASN 103 -1.244 -6.469 -10.306 800 2HB ASN 103 HB1 ASN 103 -0.500 -4.971 -10.855 801 1HD2 ASN 103 HD21 ASN 103 -1.518 -8.173 -11.793 802 2HD2 ASN 103 HD22 ASN 103 -1.556 -7.878 -13.497 803 H VAL 104 HN VAL 104 3.091 -6.077 -9.415 804 HA VAL 104 HA VAL 104 4.078 -4.345 -11.574 805 HB VAL 104 HB VAL 104 5.305 -4.825 -8.845 806 1HG1 VAL 104 HG11 VAL 104 6.662 -2.848 -9.358 807 2HG1 VAL 104 HG12 VAL 104 5.923 -2.761 -10.958 808 3HG1 VAL 104 HG13 VAL 104 6.930 -4.144 -10.525 809 1HG2 VAL 104 HG21 VAL 104 3.157 -3.706 -8.611 810 2HG2 VAL 104 HG22 VAL 104 3.637 -2.500 -9.805 811 3HG2 VAL 104 HG23 VAL 104 4.476 -2.590 -8.256 812 H SER 105 HN SER 105 4.651 -7.233 -9.712 813 HA SER 105 HA SER 105 5.796 -8.665 -11.819 814 1HB SER 105 HB2 SER 105 8.101 -8.968 -10.818 815 2HB SER 105 HB1 SER 105 7.809 -7.380 -11.524 816 HG SER 105 HG SER 105 7.275 -7.766 -8.800 817 H ALA 106 HN ALA 106 4.755 -10.491 -11.331 818 HA ALA 106 HA ALA 106 4.008 -11.284 -8.726 819 1HB ALA 106 HB1 ALA 106 3.347 -13.401 -9.758 820 2HB ALA 106 HB2 ALA 106 4.214 -12.958 -11.229 821 3HB ALA 106 HB3 ALA 106 2.805 -12.028 -10.723 822 H GLU 107 HN GLU 107 6.807 -11.799 -10.671 823 HA GLU 107 HA GLU 107 8.083 -13.939 -9.498 824 1HB GLU 107 HB2 GLU 107 8.934 -12.708 -11.440 825 2HB GLU 107 HB1 GLU 107 9.265 -11.312 -10.428 826 1HG GLU 107 HG2 GLU 107 11.318 -12.426 -10.847 827 2HG GLU 107 HG1 GLU 107 10.890 -12.697 -9.158 828 H ASP 108 HN ASP 108 7.730 -10.652 -8.286 829 HA ASP 108 HA ASP 108 9.803 -10.806 -6.353 830 1HB ASP 108 HB2 ASP 108 8.508 -8.755 -7.464 831 2HB ASP 108 HB1 ASP 108 7.539 -8.905 -6.001 832 H ALA 109 HN ALA 109 6.291 -11.137 -6.217 833 HA ALA 109 HA ALA 109 6.080 -11.375 -3.412 834 1HB ALA 109 HB1 ALA 109 3.819 -12.174 -3.839 835 2HB ALA 109 HB2 ALA 109 4.208 -12.398 -5.544 836 3HB ALA 109 HB3 ALA 109 4.192 -10.777 -4.847 837 H LYS 110 HN LYS 110 6.678 -13.711 -5.956 838 HA LYS 110 HA LYS 110 6.121 -15.993 -4.302 839 1HB LYS 110 HB2 LYS 110 7.401 -15.740 -7.024 840 2HB LYS 110 HB1 LYS 110 7.072 -17.277 -6.234 841 1HG LYS 110 HG2 LYS 110 4.696 -16.805 -6.231 842 2HG LYS 110 HG1 LYS 110 4.991 -15.215 -6.938 843 1HD LYS 110 HD2 LYS 110 5.702 -17.843 -8.243 844 2HD LYS 110 HD1 LYS 110 4.250 -16.905 -8.595 845 1HE LYS 110 HE2 LYS 110 5.630 -15.030 -9.329 846 2HE LYS 110 HE1 LYS 110 7.088 -15.946 -8.952 847 1HZ LYS 110 HZ1 LYS 110 5.053 -16.766 -10.955 848 2HZ LYS 110 HZ2 LYS 110 6.535 -17.534 -10.643 849 3HZ LYS 110 HZ3 LYS 110 6.507 -15.979 -11.322 850 H LYS 111 HN LYS 111 8.815 -13.955 -4.691 851 HA LYS 111 HA LYS 111 10.698 -15.997 -3.775 852 1HB LYS 111 HB2 LYS 111 11.118 -13.117 -4.588 853 2HB LYS 111 HB1 LYS 111 12.400 -14.184 -4.034 854 1HG LYS 111 HG2 LYS 111 11.992 -15.661 -5.936 855 2HG LYS 111 HG1 LYS 111 10.707 -14.587 -6.492 856 1HD LYS 111 HD2 LYS 111 13.616 -13.843 -6.178 857 2HD LYS 111 HD1 LYS 111 12.804 -14.200 -7.703 858 1HE LYS 111 HE2 LYS 111 11.304 -12.300 -7.342 859 2HE LYS 111 HE1 LYS 111 12.119 -11.946 -5.819 860 1HZ LYS 111 HZ1 LYS 111 12.885 -10.545 -7.667 861 2HZ LYS 111 HZ2 LYS 111 13.438 -11.930 -8.479 862 3HZ LYS 111 HZ3 LYS 111 14.139 -11.479 -7.001 863 H GLY 112 HN GLY 112 8.961 -13.203 -2.648 864 1HA GLY 112 HA2 GLY 112 8.574 -12.934 -0.265 865 2HA GLY 112 HA1 GLY 112 10.204 -13.542 0.010 866 H ILE 113 HN ILE 113 8.460 -10.839 0.169 867 HA ILE 113 HA ILE 113 9.846 -8.990 -1.450 868 HB ILE 113 HB ILE 113 8.238 -8.367 1.026 869 1HG1 ILE 113 HG12 ILE 113 6.908 -9.780 -0.457 870 2HG1 ILE 113 HG11 ILE 113 6.307 -8.128 -0.509 871 1HG2 ILE 113 HG21 ILE 113 8.903 -6.736 -1.420 872 2HG2 ILE 113 HG22 ILE 113 9.531 -6.493 0.211 873 3HG2 ILE 113 HG23 ILE 113 7.818 -6.232 -0.123 874 1HD1 ILE 113 HD11 ILE 113 7.463 -7.780 -2.635 875 2HD1 ILE 113 HD12 ILE 113 6.324 -9.123 -2.719 876 3HD1 ILE 113 HD13 ILE 113 8.053 -9.441 -2.582 877 H THR 114 HN THR 114 11.822 -8.235 -1.208 878 HA THR 114 HA THR 114 12.875 -7.818 1.513 879 HB THR 114 HB THR 114 15.155 -8.140 0.531 880 HG1 THR 114 HG1 THR 114 14.028 -9.485 -1.657 881 1HG2 THR 114 HG21 THR 114 15.040 -10.590 0.412 882 2HG2 THR 114 HG22 THR 114 13.284 -10.498 0.264 883 3HG2 THR 114 HG23 THR 114 14.075 -9.963 1.747 884 H MET 115 HN MET 115 14.746 -6.138 1.449 885 HA MET 115 HA MET 115 13.725 -3.722 0.360 886 1HB MET 115 HB2 MET 115 14.966 -3.554 2.378 887 2HB MET 115 HB1 MET 115 16.341 -4.403 1.689 888 1HG MET 115 HG2 MET 115 16.642 -1.941 1.985 889 2HG MET 115 HG1 MET 115 16.946 -2.542 0.359 890 1HE MET 115 HE1 MET 115 13.379 -2.050 1.921 891 2HE MET 115 HE2 MET 115 13.011 -0.386 1.468 892 3HE MET 115 HE3 MET 115 14.270 -0.716 2.659 893 H ALA 116 HN ALA 116 16.393 -5.862 -0.590 894 HA ALA 116 HA ALA 116 17.468 -4.400 -2.681 895 1HB ALA 116 HB1 ALA 116 17.022 -7.385 -2.615 896 2HB ALA 116 HB2 ALA 116 18.387 -6.535 -1.890 897 3HB ALA 116 HB3 ALA 116 18.173 -6.527 -3.640 898 H GLN 117 HN GLN 117 14.698 -6.598 -2.718 899 HA GLN 117 HA GLN 117 13.988 -6.230 -5.414 900 1HB GLN 117 HB2 GLN 117 12.497 -7.146 -2.972 901 2HB GLN 117 HB1 GLN 117 11.677 -6.963 -4.520 902 1HG GLN 117 HG2 GLN 117 12.881 -8.641 -5.516 903 2HG GLN 117 HG1 GLN 117 14.195 -8.547 -4.344 904 1HE2 GLN 117 HE21 GLN 117 10.749 -8.701 -3.629 905 2HE2 GLN 117 HE22 GLN 117 10.813 -10.253 -2.851 906 H MET 118 HN MET 118 12.371 -4.866 -2.540 907 HA MET 118 HA MET 118 10.697 -3.110 -3.796 908 1HB MET 118 HB2 MET 118 12.011 -3.090 -1.118 909 2HB MET 118 HB1 MET 118 11.065 -1.692 -1.618 910 1HG MET 118 HG2 MET 118 10.028 -4.515 -1.619 911 2HG MET 118 HG1 MET 118 9.802 -3.373 -0.292 912 1HE MET 118 HE1 MET 118 7.143 -4.180 -0.811 913 2HE MET 118 HE2 MET 118 7.608 -4.993 -2.308 914 3HE MET 118 HE3 MET 118 6.332 -3.775 -2.325 915 H GLU 119 HN GLU 119 14.140 -2.660 -3.281 916 HA GLU 119 HA GLU 119 14.195 0.100 -3.914 917 1HB GLU 119 HB2 GLU 119 16.157 -2.056 -3.569 918 2HB GLU 119 HB1 GLU 119 16.647 -0.822 -4.724 919 1HG GLU 119 HG2 GLU 119 15.731 -0.256 -1.915 920 2HG GLU 119 HG1 GLU 119 17.418 -0.399 -2.413 921 H LEU 120 HN LEU 120 15.153 -2.702 -5.924 922 HA LEU 120 HA LEU 120 15.410 -1.132 -8.290 923 1HB LEU 120 HB2 LEU 120 15.399 -4.074 -7.720 924 2HB LEU 120 HB1 LEU 120 15.371 -3.500 -9.371 925 HG LEU 120 HG LEU 120 17.500 -2.279 -8.934 926 1HD1 LEU 120 HD11 LEU 120 18.815 -2.873 -6.967 927 2HD1 LEU 120 HD12 LEU 120 17.454 -3.796 -6.332 928 3HD1 LEU 120 HD13 LEU 120 17.323 -2.047 -6.518 929 1HD2 LEU 120 HD21 LEU 120 18.909 -4.276 -8.974 930 2HD2 LEU 120 HD22 LEU 120 17.497 -4.454 -10.014 931 3HD2 LEU 120 HD23 LEU 120 17.539 -5.250 -8.441 932 H VAL 121 HN VAL 121 12.834 -2.871 -6.839 933 HA VAL 121 HA VAL 121 11.270 -3.215 -9.215 934 HB VAL 121 HB VAL 121 10.902 -3.851 -6.307 935 1HG1 VAL 121 HG11 VAL 121 8.699 -3.116 -7.020 936 2HG1 VAL 121 HG12 VAL 121 8.748 -4.863 -6.770 937 3HG1 VAL 121 HG13 VAL 121 8.777 -4.203 -8.409 938 1HG2 VAL 121 HG21 VAL 121 12.235 -5.368 -7.613 939 2HG2 VAL 121 HG22 VAL 121 10.960 -5.498 -8.825 940 3HG2 VAL 121 HG23 VAL 121 10.701 -6.138 -7.201 941 H MET 122 HN MET 122 11.047 -1.109 -6.329 942 HA MET 122 HA MET 122 8.686 0.189 -7.264 943 1HB MET 122 HB2 MET 122 10.478 0.443 -4.974 944 2HB MET 122 HB1 MET 122 9.856 1.991 -5.533 945 1HG MET 122 HG2 MET 122 8.507 0.831 -3.757 946 2HG MET 122 HG1 MET 122 7.621 1.328 -5.199 947 1HE MET 122 HE1 MET 122 5.729 -1.948 -4.316 948 2HE MET 122 HE2 MET 122 5.577 -0.252 -4.773 949 3HE MET 122 HE3 MET 122 6.311 -0.687 -3.229 950 H LYS 123 HN LYS 123 12.121 0.794 -7.612 951 HA LYS 123 HA LYS 123 11.791 3.290 -8.966 952 1HB LYS 123 HB2 LYS 123 14.086 1.349 -8.742 953 2HB LYS 123 HB1 LYS 123 14.183 2.792 -9.740 954 1HG LYS 123 HG2 LYS 123 13.826 4.200 -7.804 955 2HG LYS 123 HG1 LYS 123 13.615 2.776 -6.781 956 1HD LYS 123 HD2 LYS 123 15.879 2.135 -7.051 957 2HD LYS 123 HD1 LYS 123 16.122 3.285 -8.364 958 1HE LYS 123 HE2 LYS 123 17.166 4.092 -6.329 959 2HE LYS 123 HE1 LYS 123 15.824 5.137 -6.789 960 1HZ LYS 123 HZ1 LYS 123 14.524 4.370 -5.037 961 2HZ LYS 123 HZ2 LYS 123 16.069 4.466 -4.352 962 3HZ LYS 123 HZ3 LYS 123 15.449 2.965 -4.819 963 H ALA 124 HN ALA 124 11.574 -0.031 -9.867 964 HA ALA 124 HA ALA 124 11.830 0.336 -12.689 965 1HB ALA 124 HB1 ALA 124 12.188 -1.851 -11.695 966 2HB ALA 124 HB2 ALA 124 10.854 -1.925 -12.846 967 3HB ALA 124 HB3 ALA 124 10.524 -1.885 -11.115 968 H ALA 125 HN ALA 125 9.125 0.225 -10.413 969 HA ALA 125 HA ALA 125 7.103 0.550 -12.396 970 1HB ALA 125 HB1 ALA 125 6.974 1.173 -9.447 971 2HB ALA 125 HB2 ALA 125 6.642 -0.399 -10.171 972 3HB ALA 125 HB3 ALA 125 5.600 0.980 -10.535 973 H GLY 126 HN GLY 126 9.182 2.713 -10.657 974 1HA GLY 126 HA2 GLY 126 9.665 4.917 -11.293 975 2HA GLY 126 HA1 GLY 126 8.210 4.925 -12.280 976 H PHE 127 HN PHE 127 8.300 3.938 -8.921 977 HA PHE 127 HA PHE 127 6.197 5.786 -8.303 978 1HB PHE 127 HB2 PHE 127 7.739 3.813 -6.622 979 2HB PHE 127 HB1 PHE 127 6.483 4.854 -5.962 980 HD1 PHE 127 HD1 PHE 127 4.453 4.801 -8.054 981 HD2 PHE 127 HD2 PHE 127 6.893 1.664 -6.538 982 HE1 PHE 127 HE1 PHE 127 2.730 3.163 -8.685 983 HE2 PHE 127 HE2 PHE 127 5.177 0.018 -7.171 984 HZ PHE 127 HZ PHE 127 3.091 0.768 -8.245 985 H LYS 128 HN LYS 128 6.241 7.422 -6.738 986 HA LYS 128 HA LYS 128 8.793 8.809 -6.546 987 1HB LYS 128 HB2 LYS 128 6.884 10.124 -7.270 988 2HB LYS 128 HB1 LYS 128 5.972 9.644 -5.845 989 1HG LYS 128 HG2 LYS 128 7.746 10.784 -4.467 990 2HG LYS 128 HG1 LYS 128 8.371 11.446 -5.980 991 1HD LYS 128 HD2 LYS 128 6.272 12.558 -6.407 992 2HD LYS 128 HD1 LYS 128 5.545 11.802 -4.985 993 1HE LYS 128 HE2 LYS 128 7.212 12.958 -3.571 994 2HE LYS 128 HE1 LYS 128 7.828 13.772 -5.009 995 1HZ LYS 128 HZ1 LYS 128 5.686 14.816 -5.314 996 2HZ LYS 128 HZ2 LYS 128 6.271 15.151 -3.756 997 3HZ LYS 128 HZ3 LYS 128 5.054 13.993 -3.973 998 H GLU 129 HN GLU 129 10.036 8.304 -4.864 999 HA GLU 129 HA GLU 129 9.050 7.155 -2.460 1000 1HB GLU 129 HB2 GLU 129 11.737 8.313 -3.191 1001 2HB GLU 129 HB1 GLU 129 11.399 7.591 -1.625 1002 1HG GLU 129 HG2 GLU 129 10.809 5.482 -2.775 1003 2HG GLU 129 HG1 GLU 129 11.292 6.222 -4.301 1004 H VAL 130 HN VAL 130 8.582 8.034 -0.544 1005 HA VAL 130 HA VAL 130 8.906 10.943 -0.218 1006 HB VAL 130 HB VAL 130 6.527 9.348 0.764 1007 1HG1 VAL 130 HG11 VAL 130 7.053 11.257 2.161 1008 2HG1 VAL 130 HG12 VAL 130 5.561 11.541 1.265 1009 3HG1 VAL 130 HG13 VAL 130 7.061 12.314 0.750 1010 1HG2 VAL 130 HG21 VAL 130 5.220 10.545 -0.938 1011 2HG2 VAL 130 HG22 VAL 130 6.440 9.490 -1.649 1012 3HG2 VAL 130 HG23 VAL 130 6.711 11.232 -1.584 1013 H LYS 131 HN LYS 131 10.825 10.450 0.958 1014 HA LYS 131 HA LYS 131 10.818 8.716 3.222 1015 1HB LYS 131 HB2 LYS 131 12.689 10.968 2.438 1016 2HB LYS 131 HB1 LYS 131 12.986 9.843 3.758 1017 1HG LYS 131 HG2 LYS 131 13.033 7.984 2.191 1018 2HG LYS 131 HG1 LYS 131 12.673 9.081 0.857 1019 1HD LYS 131 HD2 LYS 131 14.771 10.216 1.149 1020 2HD LYS 131 HD1 LYS 131 15.110 9.304 2.621 1021 1HE LYS 131 HE2 LYS 131 16.391 8.394 0.784 1022 2HE LYS 131 HE1 LYS 131 15.173 7.228 1.293 1023 1HZ LYS 131 HZ1 LYS 131 15.294 7.352 -1.099 1024 2HZ LYS 131 HZ2 LYS 131 15.000 9.021 -1.073 1025 3HZ LYS 131 HZ3 LYS 131 13.794 7.941 -0.580 1026 H LEU 132 HN LEU 132 9.996 9.084 5.178 1027 HA LEU 132 HA LEU 132 8.505 11.473 5.621 1028 1HB LEU 132 HB2 LEU 132 9.028 9.431 7.758 1029 2HB LEU 132 HB1 LEU 132 7.620 10.446 7.531 1030 HG LEU 132 HG LEU 132 7.263 9.035 5.368 1031 1HD1 LEU 132 HD11 LEU 132 9.399 7.857 5.444 1032 2HD1 LEU 132 HD12 LEU 132 8.049 6.731 5.574 1033 3HD1 LEU 132 HD13 LEU 132 8.973 7.169 7.011 1034 1HD2 LEU 132 HD21 LEU 132 5.950 7.421 6.665 1035 2HD2 LEU 132 HD22 LEU 132 5.758 9.064 7.277 1036 3HD2 LEU 132 HD23 LEU 132 6.794 7.921 8.132 1037 H GLU 133 HN GLU 133 9.668 13.267 5.985 1038 HA GLU 133 HA GLU 133 11.801 13.194 7.996 1039 1HB GLU 133 HB2 GLU 133 11.010 15.343 6.019 1040 2HB GLU 133 HB1 GLU 133 12.343 15.471 7.158 1041 1HG GLU 133 HG2 GLU 133 13.477 13.621 6.086 1042 2HG GLU 133 HG1 GLU 133 12.116 13.396 4.988 1043 H HIS 134 HN HIS 134 8.690 13.318 8.164 1044 HA HIS 134 HA HIS 134 8.586 15.442 10.200 1045 1HB HIS 134 HB2 HIS 134 6.448 14.640 8.215 1046 2HB HIS 134 HB1 HIS 134 6.141 15.661 9.614 1047 HD1 HIS 134 HD1 HIS 134 7.807 15.676 6.247 1048 HD2 HIS 134 HD2 HIS 134 6.986 18.303 9.372 1049 HE1 HIS 134 HE1 HIS 134 8.278 17.976 5.345 1050 HE2 HIS 134 HE2 HIS 134 7.621 19.553 7.196 1051 H HIS 135 HN HIS 135 7.511 14.945 12.100 1052 HA HIS 135 HA HIS 135 6.856 12.100 12.462 1053 1HB HIS 135 HB2 HIS 135 7.330 14.268 14.522 1054 2HB HIS 135 HB1 HIS 135 6.970 12.586 14.888 1055 HD1 HIS 135 HD1 HIS 135 9.708 14.807 14.704 1056 HD2 HIS 135 HD2 HIS 135 9.115 10.841 13.591 1057 HE1 HIS 135 HE1 HIS 135 12.006 13.793 14.548 1058 HE2 HIS 135 HE2 HIS 135 11.614 11.350 14.067 1059 H HIS 136 HN HIS 136 4.934 11.533 13.692 1060 HA HIS 136 HA HIS 136 2.762 13.459 13.240 1061 1HB HIS 136 HB2 HIS 136 2.849 10.477 13.441 1062 2HB HIS 136 HB1 HIS 136 1.358 11.317 13.856 1063 HD1 HIS 136 HD1 HIS 136 2.882 9.729 11.086 1064 HD2 HIS 136 HD2 HIS 136 0.677 13.224 11.580 1065 HE1 HIS 136 HE1 HIS 136 1.987 10.303 8.800 1066 HE2 HIS 136 HE2 HIS 136 0.492 12.306 9.173 1067 H HIS 137 HN HIS 137 4.715 12.231 15.672 1068 HA HIS 137 HA HIS 137 2.837 12.498 17.839 1069 1HB HIS 137 HB2 HIS 137 5.812 12.081 17.684 1070 2HB HIS 137 HB1 HIS 137 5.035 12.461 19.216 1071 HD1 HIS 137 HD1 HIS 137 5.013 10.347 20.488 1072 HD2 HIS 137 HD2 HIS 137 3.920 9.775 16.510 1073 HE1 HIS 137 HE1 HIS 137 4.358 7.923 20.303 1074 HE2 HIS 137 HE2 HIS 137 3.792 7.569 17.870 1075 H HIS 138 HN HIS 138 2.148 14.391 18.585 1076 HA HIS 138 HA HIS 138 4.029 16.577 18.904 1077 1HB HIS 138 HB2 HIS 138 2.820 18.208 17.681 1078 2HB HIS 138 HB1 HIS 138 2.928 16.822 16.607 1079 HD1 HIS 138 HD1 HIS 138 0.465 18.761 18.697 1080 HD2 HIS 138 HD2 HIS 138 0.486 15.672 15.904 1081 HE1 HIS 138 HE1 HIS 138 -1.937 18.401 18.067 1082 HE2 HIS 138 HE2 HIS 138 -1.896 16.630 16.276 1083 H HIS 139 HN HIS 139 3.012 18.395 20.137 1084 HA HIS 139 HA HIS 139 0.608 17.588 21.617 1085 1HB HIS 139 HB2 HIS 139 3.123 18.773 22.819 1086 2HB HIS 139 HB1 HIS 139 1.582 18.687 23.663 1087 HD1 HIS 139 HD1 HIS 139 4.607 16.770 22.953 1088 HD2 HIS 139 HD2 HIS 139 0.711 15.959 24.166 1089 HE1 HIS 139 HE1 HIS 139 4.653 14.428 23.873 1090 HE2 HIS 139 HE2 HIS 139 2.325 14.031 24.759 Start of MODEL 16 1 1H MET 1 HT1 MET 1 9.234 8.491 14.210 2 2H MET 1 HT2 MET 1 9.740 7.048 14.946 3 3H MET 1 HT3 MET 1 9.307 7.059 13.306 4 HA MET 1 HA MET 1 11.168 8.456 12.766 5 1HB MET 1 HB2 MET 1 11.868 8.175 15.702 6 2HB MET 1 HB1 MET 1 12.887 8.913 14.477 7 1HG MET 1 HG2 MET 1 11.895 10.679 15.655 8 2HG MET 1 HG1 MET 1 11.044 10.587 14.115 9 1HE MET 1 HE1 MET 1 10.020 12.161 16.730 10 2HE MET 1 HE2 MET 1 8.303 11.758 16.697 11 3HE MET 1 HE3 MET 1 9.145 12.155 15.199 12 H GLY 2 HN GLY 2 13.366 7.555 12.469 13 1HA GLY 2 HA2 GLY 2 13.368 4.706 12.366 14 2HA GLY 2 HA1 GLY 2 14.729 5.761 12.005 15 H ASP 3 HN ASP 3 13.039 4.013 14.505 16 HA ASP 3 HA ASP 3 15.298 4.482 16.337 17 1HB ASP 3 HB2 ASP 3 13.096 5.219 17.189 18 2HB ASP 3 HB1 ASP 3 12.483 3.580 16.995 19 H LYS 4 HN LYS 4 12.846 1.937 16.206 20 HA LYS 4 HA LYS 4 14.996 -0.006 15.714 21 1HB LYS 4 HB2 LYS 4 12.412 -0.400 17.243 22 2HB LYS 4 HB1 LYS 4 13.545 -1.686 16.843 23 1HG LYS 4 HG2 LYS 4 15.283 -0.547 18.147 24 2HG LYS 4 HG1 LYS 4 14.123 0.711 18.573 25 1HD LYS 4 HD2 LYS 4 12.718 -0.978 19.670 26 2HD LYS 4 HD1 LYS 4 13.911 -2.216 19.268 27 1HE LYS 4 HE2 LYS 4 15.593 -0.998 20.579 28 2HE LYS 4 HE1 LYS 4 14.377 0.206 21.006 29 1HZ LYS 4 HZ1 LYS 4 14.617 -1.372 22.778 30 2HZ LYS 4 HZ2 LYS 4 14.344 -2.673 21.730 31 3HZ LYS 4 HZ3 LYS 4 13.091 -1.583 22.067 32 H GLU 5 HN GLU 5 14.598 -1.577 14.130 33 HA GLU 5 HA GLU 5 14.075 -2.035 11.980 34 1HB GLU 5 HB2 GLU 5 11.344 -1.223 12.977 35 2HB GLU 5 HB1 GLU 5 11.613 -1.722 11.314 36 1HG GLU 5 HG2 GLU 5 10.776 -3.562 12.636 37 2HG GLU 5 HG1 GLU 5 12.420 -3.891 12.093 38 H GLU 6 HN GLU 6 12.643 -0.761 10.018 39 HA GLU 6 HA GLU 6 13.458 2.046 10.206 40 1HB GLU 6 HB2 GLU 6 15.312 0.669 9.197 41 2HB GLU 6 HB1 GLU 6 14.222 0.296 7.867 42 1HG GLU 6 HG2 GLU 6 15.770 2.118 7.333 43 2HG GLU 6 HG1 GLU 6 14.082 2.630 7.275 44 H SER 7 HN SER 7 12.275 3.446 8.945 45 HA SER 7 HA SER 7 9.971 2.218 7.588 46 1HB SER 7 HB2 SER 7 8.773 4.385 8.217 47 2HB SER 7 HB1 SER 7 9.122 3.268 9.535 48 HG SER 7 HG SER 7 10.966 5.294 8.910 49 H LYS 8 HN LYS 8 9.967 2.498 5.490 50 HA LYS 8 HA LYS 8 11.154 4.950 4.359 51 1HB LYS 8 HB2 LYS 8 11.107 2.130 3.433 52 2HB LYS 8 HB1 LYS 8 10.947 3.369 2.200 53 1HG LYS 8 HG2 LYS 8 13.044 4.405 3.085 54 2HG LYS 8 HG1 LYS 8 13.225 2.989 4.126 55 1HD LYS 8 HD2 LYS 8 13.272 1.537 2.178 56 2HD LYS 8 HD1 LYS 8 13.020 2.924 1.117 57 1HE LYS 8 HE2 LYS 8 15.151 3.866 1.831 58 2HE LYS 8 HE1 LYS 8 15.398 2.501 2.921 59 1HZ LYS 8 HZ1 LYS 8 15.374 1.030 0.985 60 2HZ LYS 8 HZ2 LYS 8 16.619 2.173 0.883 61 3HZ LYS 8 HZ3 LYS 8 15.210 2.367 -0.044 62 H LYS 9 HN LYS 9 9.661 6.365 3.840 63 HA LYS 9 HA LYS 9 6.979 5.454 3.079 64 1HB LYS 9 HB2 LYS 9 7.521 7.134 4.987 65 2HB LYS 9 HB1 LYS 9 7.773 8.283 3.685 66 1HG LYS 9 HG2 LYS 9 5.462 7.958 2.947 67 2HG LYS 9 HG1 LYS 9 5.212 6.795 4.256 68 1HD LYS 9 HD2 LYS 9 5.947 8.636 5.839 69 2HD LYS 9 HD1 LYS 9 5.797 9.740 4.473 70 1HE LYS 9 HE2 LYS 9 3.799 9.805 5.816 71 2HE LYS 9 HE1 LYS 9 3.435 9.096 4.241 72 1HZ LYS 9 HZ1 LYS 9 2.368 7.846 5.988 73 2HZ LYS 9 HZ2 LYS 9 3.848 7.623 6.790 74 3HZ LYS 9 HZ3 LYS 9 3.582 6.888 5.288 75 H PHE 10 HN PHE 10 6.189 5.822 1.061 76 HA PHE 10 HA PHE 10 7.347 7.974 -0.523 77 1HB PHE 10 HB2 PHE 10 8.010 6.722 -2.328 78 2HB PHE 10 HB1 PHE 10 8.297 5.530 -1.071 79 HD1 PHE 10 HD1 PHE 10 6.748 3.639 -0.785 80 HD2 PHE 10 HD2 PHE 10 6.311 6.433 -3.962 81 HE1 PHE 10 HE1 PHE 10 5.278 2.065 -1.970 82 HE2 PHE 10 HE2 PHE 10 4.836 4.865 -5.148 83 HZ PHE 10 HZ PHE 10 4.318 2.676 -4.151 84 H SER 11 HN SER 11 5.850 8.456 -2.443 85 HA SER 11 HA SER 11 3.142 7.532 -2.056 86 1HB SER 11 HB2 SER 11 2.184 9.589 -1.329 87 2HB SER 11 HB1 SER 11 3.555 9.304 -0.278 88 HG SER 11 HG SER 11 4.350 10.690 -2.428 89 H ALA 12 HN ALA 12 2.290 7.367 -4.001 90 HA ALA 12 HA ALA 12 3.226 9.216 -6.094 91 1HB ALA 12 HB1 ALA 12 4.005 6.900 -6.416 92 2HB ALA 12 HB2 ALA 12 2.932 7.437 -7.707 93 3HB ALA 12 HB3 ALA 12 2.328 6.359 -6.449 94 H ASN 13 HN ASN 13 1.695 10.618 -6.566 95 HA ASN 13 HA ASN 13 -1.112 9.899 -6.312 96 1HB ASN 13 HB2 ASN 13 0.319 12.498 -6.849 97 2HB ASN 13 HB1 ASN 13 -1.422 12.343 -7.056 98 1HD2 ASN 13 HD21 ASN 13 -1.876 13.790 -5.441 99 2HD2 ASN 13 HD22 ASN 13 -1.677 13.411 -3.766 100 H LEU 14 HN LEU 14 -1.873 8.749 -7.959 101 HA LEU 14 HA LEU 14 -0.775 9.148 -10.627 102 1HB LEU 14 HB2 LEU 14 -2.855 7.139 -9.774 103 2HB LEU 14 HB1 LEU 14 -1.861 7.093 -11.216 104 HG LEU 14 HG LEU 14 -0.907 6.697 -8.377 105 1HD1 LEU 14 HD11 LEU 14 -1.142 4.785 -10.695 106 2HD1 LEU 14 HD12 LEU 14 -2.155 4.808 -9.251 107 3HD1 LEU 14 HD13 LEU 14 -0.442 4.415 -9.120 108 1HD2 LEU 14 HD21 LEU 14 1.267 6.162 -9.366 109 2HD2 LEU 14 HD22 LEU 14 0.800 7.829 -9.699 110 3HD2 LEU 14 HD23 LEU 14 0.654 6.605 -10.961 111 H ASN 15 HN ASN 15 -2.504 11.092 -9.323 112 HA ASN 15 HA ASN 15 -4.256 12.471 -9.690 113 1HB ASN 15 HB2 ASN 15 -3.970 11.349 -12.480 114 2HB ASN 15 HB1 ASN 15 -5.069 12.664 -12.072 115 1HD2 ASN 15 HD21 ASN 15 -1.757 11.710 -12.441 116 2HD2 ASN 15 HD22 ASN 15 -1.079 13.304 -12.397 117 H GLY 16 HN GLY 16 -5.727 11.590 -8.330 118 1HA GLY 16 HA2 GLY 16 -8.118 10.997 -8.388 119 2HA GLY 16 HA1 GLY 16 -7.681 9.735 -9.535 120 H THR 17 HN THR 17 -5.300 8.924 -8.221 121 HA THR 17 HA THR 17 -6.313 7.862 -5.676 122 HB THR 17 HB THR 17 -4.925 5.788 -6.242 123 HG1 THR 17 HG1 THR 17 -5.028 5.638 -8.750 124 1HG2 THR 17 HG21 THR 17 -7.365 5.754 -6.246 125 2HG2 THR 17 HG22 THR 17 -6.733 4.781 -7.575 126 3HG2 THR 17 HG23 THR 17 -7.383 6.390 -7.891 127 H GLU 18 HN GLU 18 -4.989 8.165 -3.989 128 HA GLU 18 HA GLU 18 -2.191 8.917 -4.510 129 1HB GLU 18 HB2 GLU 18 -3.631 9.046 -1.860 130 2HB GLU 18 HB1 GLU 18 -2.096 9.782 -2.277 131 1HG GLU 18 HG2 GLU 18 -3.462 11.140 -3.983 132 2HG GLU 18 HG1 GLU 18 -4.857 10.619 -3.031 133 H ILE 19 HN ILE 19 -0.952 7.119 -4.606 134 HA ILE 19 HA ILE 19 -1.496 4.983 -2.674 135 HB ILE 19 HB ILE 19 0.366 4.965 -5.058 136 1HG1 ILE 19 HG12 ILE 19 -2.369 3.737 -4.624 137 2HG1 ILE 19 HG11 ILE 19 -1.982 5.058 -5.721 138 1HG2 ILE 19 HG21 ILE 19 1.120 3.476 -3.270 139 2HG2 ILE 19 HG22 ILE 19 0.529 2.556 -4.655 140 3HG2 ILE 19 HG23 ILE 19 -0.476 2.724 -3.215 141 1HD1 ILE 19 HD11 ILE 19 -0.965 2.236 -5.951 142 2HD1 ILE 19 HD12 ILE 19 -0.628 3.560 -7.068 143 3HD1 ILE 19 HD13 ILE 19 -2.273 2.945 -6.896 144 H ALA 20 HN ALA 20 -0.617 5.524 -0.787 145 HA ALA 20 HA ALA 20 2.232 6.287 -0.778 146 1HB ALA 20 HB1 ALA 20 1.896 7.440 1.283 147 2HB ALA 20 HB2 ALA 20 0.249 6.848 1.418 148 3HB ALA 20 HB3 ALA 20 0.667 8.004 0.153 149 H ILE 21 HN ILE 21 3.482 4.654 -0.226 150 HA ILE 21 HA ILE 21 2.425 2.689 1.687 151 HB ILE 21 HB ILE 21 4.642 2.210 -0.306 152 1HG1 ILE 21 HG12 ILE 21 1.729 1.390 -0.448 153 2HG1 ILE 21 HG11 ILE 21 2.496 2.609 -1.461 154 1HG2 ILE 21 HG21 ILE 21 3.042 0.334 1.436 155 2HG2 ILE 21 HG22 ILE 21 4.721 0.809 1.688 156 3HG2 ILE 21 HG23 ILE 21 4.278 -0.144 0.272 157 1HD1 ILE 21 HD11 ILE 21 2.241 0.526 -2.661 158 2HD1 ILE 21 HD12 ILE 21 3.147 -0.328 -1.414 159 3HD1 ILE 21 HD13 ILE 21 3.949 0.884 -2.412 160 H THR 22 HN THR 22 3.396 2.512 3.564 161 HA THR 22 HA THR 22 6.066 3.709 3.895 162 HB THR 22 HB THR 22 4.063 3.192 6.102 163 HG1 THR 22 HG1 THR 22 3.475 4.771 4.311 164 1HG2 THR 22 HG21 THR 22 5.423 4.827 7.326 165 2HG2 THR 22 HG22 THR 22 6.489 4.990 5.931 166 3HG2 THR 22 HG23 THR 22 6.402 3.459 6.801 167 H TYR 23 HN TYR 23 7.521 2.142 3.784 168 HA TYR 23 HA TYR 23 6.873 -0.573 4.566 169 1HB TYR 23 HB2 TYR 23 9.486 0.516 3.502 170 2HB TYR 23 HB1 TYR 23 9.011 -1.174 3.596 171 HD1 TYR 23 HD1 TYR 23 7.154 -1.996 2.111 172 HD2 TYR 23 HD2 TYR 23 8.920 1.844 1.649 173 HE1 TYR 23 HE1 TYR 23 6.268 -1.869 -0.179 174 HE2 TYR 23 HE2 TYR 23 8.039 1.986 -0.639 175 HH TYR 23 HH TYR 23 7.294 0.450 -2.420 176 H VAL 24 HN VAL 24 6.978 -0.983 6.698 177 HA VAL 24 HA VAL 24 9.301 -0.009 8.194 178 HB VAL 24 HB VAL 24 6.911 -1.591 9.160 179 1HG1 VAL 24 HG11 VAL 24 8.897 -2.072 10.489 180 2HG1 VAL 24 HG12 VAL 24 7.747 -1.106 11.413 181 3HG1 VAL 24 HG13 VAL 24 9.177 -0.345 10.713 182 1HG2 VAL 24 HG21 VAL 24 7.639 1.308 9.521 183 2HG2 VAL 24 HG22 VAL 24 6.268 0.494 10.277 184 3HG2 VAL 24 HG23 VAL 24 6.327 0.680 8.523 185 H TYR 25 HN TYR 25 11.053 -1.165 7.792 186 HA TYR 25 HA TYR 25 10.760 -4.085 7.605 187 1HB TYR 25 HB2 TYR 25 12.561 -4.089 5.919 188 2HB TYR 25 HB1 TYR 25 11.147 -3.194 5.381 189 HD1 TYR 25 HD1 TYR 25 14.654 -2.971 6.374 190 HD2 TYR 25 HD2 TYR 25 11.254 -0.760 5.080 191 HE1 TYR 25 HE1 TYR 25 16.102 -1.058 5.852 192 HE2 TYR 25 HE2 TYR 25 12.696 1.157 4.559 193 HH TYR 25 HH TYR 25 14.938 2.036 5.290 194 H LYS 26 HN LYS 26 12.494 -5.342 8.278 195 HA LYS 26 HA LYS 26 14.411 -3.985 10.061 196 1HB LYS 26 HB2 LYS 26 12.813 -5.455 11.246 197 2HB LYS 26 HB1 LYS 26 13.301 -6.802 10.229 198 1HG LYS 26 HG2 LYS 26 15.615 -6.543 11.156 199 2HG LYS 26 HG1 LYS 26 14.950 -5.376 12.302 200 1HD LYS 26 HD2 LYS 26 13.941 -8.200 11.990 201 2HD LYS 26 HD1 LYS 26 15.142 -7.713 13.186 202 1HE LYS 26 HE2 LYS 26 12.561 -6.229 13.059 203 2HE LYS 26 HE1 LYS 26 12.574 -7.840 13.782 204 1HZ LYS 26 HZ1 LYS 26 14.532 -6.921 15.142 205 2HZ LYS 26 HZ2 LYS 26 12.962 -6.438 15.558 206 3HZ LYS 26 HZ3 LYS 26 13.957 -5.390 14.673 207 H GLY 27 HN GLY 27 16.013 -3.684 8.533 208 1HA GLY 27 HA2 GLY 27 17.874 -4.292 7.317 209 2HA GLY 27 HA1 GLY 27 17.591 -5.958 7.805 210 H ASP 28 HN ASP 28 17.115 -7.303 6.210 211 HA ASP 28 HA ASP 28 16.351 -6.273 3.607 212 1HB ASP 28 HB2 ASP 28 16.805 -9.119 4.538 213 2HB ASP 28 HB1 ASP 28 16.524 -8.631 2.872 214 H LYS 29 HN LYS 29 14.841 -7.597 6.370 215 HA LYS 29 HA LYS 29 12.606 -8.750 4.908 216 1HB LYS 29 HB2 LYS 29 13.887 -9.300 7.351 217 2HB LYS 29 HB1 LYS 29 12.280 -8.729 7.773 218 1HG LYS 29 HG2 LYS 29 12.955 -11.039 5.969 219 2HG LYS 29 HG1 LYS 29 12.273 -11.124 7.592 220 1HD LYS 29 HD2 LYS 29 10.308 -9.813 6.704 221 2HD LYS 29 HD1 LYS 29 10.972 -10.068 5.090 222 1HE LYS 29 HE2 LYS 29 10.085 -12.180 7.047 223 2HE LYS 29 HE1 LYS 29 9.297 -11.740 5.534 224 1HZ LYS 29 HZ1 LYS 29 10.538 -13.718 5.168 225 2HZ LYS 29 HZ2 LYS 29 11.936 -13.061 5.867 226 3HZ LYS 29 HZ3 LYS 29 11.373 -12.467 4.384 227 H VAL 30 HN VAL 30 11.176 -7.242 4.201 228 HA VAL 30 HA VAL 30 10.357 -5.021 5.834 229 HB VAL 30 HB VAL 30 8.960 -6.189 3.412 230 1HG1 VAL 30 HG11 VAL 30 8.714 -3.487 4.734 231 2HG1 VAL 30 HG12 VAL 30 7.510 -4.776 4.768 232 3HG1 VAL 30 HG13 VAL 30 7.907 -3.980 3.245 233 1HG2 VAL 30 HG21 VAL 30 10.060 -4.402 2.138 234 2HG2 VAL 30 HG22 VAL 30 11.229 -5.517 2.845 235 3HG2 VAL 30 HG23 VAL 30 10.960 -3.937 3.582 236 H LEU 31 HN LEU 31 8.976 -5.171 7.511 237 HA LEU 31 HA LEU 31 7.569 -7.723 7.806 238 1HB LEU 31 HB2 LEU 31 8.422 -5.704 9.871 239 2HB LEU 31 HB1 LEU 31 7.470 -7.134 10.227 240 HG LEU 31 HG LEU 31 10.286 -7.101 9.136 241 1HD1 LEU 31 HD11 LEU 31 10.860 -8.127 11.282 242 2HD1 LEU 31 HD12 LEU 31 9.190 -7.934 11.815 243 3HD1 LEU 31 HD13 LEU 31 10.180 -6.511 11.485 244 1HD2 LEU 31 HD21 LEU 31 8.501 -9.426 9.847 245 2HD2 LEU 31 HD22 LEU 31 10.204 -9.534 9.399 246 3HD2 LEU 31 HD23 LEU 31 9.017 -8.969 8.224 247 H LYS 32 HN LYS 32 7.039 -4.231 7.922 248 HA LYS 32 HA LYS 32 4.167 -4.846 7.770 249 1HB LYS 32 HB2 LYS 32 5.460 -2.639 9.370 250 2HB LYS 32 HB1 LYS 32 3.746 -2.682 8.995 251 1HG LYS 32 HG2 LYS 32 3.622 -4.883 10.154 252 2HG LYS 32 HG1 LYS 32 5.299 -4.651 10.653 253 1HD LYS 32 HD2 LYS 32 4.693 -2.618 11.834 254 2HD LYS 32 HD1 LYS 32 3.026 -2.769 11.277 255 1HE LYS 32 HE2 LYS 32 4.495 -4.669 13.099 256 2HE LYS 32 HE1 LYS 32 3.219 -3.543 13.562 257 1HZ LYS 32 HZ1 LYS 32 2.319 -5.737 13.321 258 2HZ LYS 32 HZ2 LYS 32 2.935 -5.885 11.752 259 3HZ LYS 32 HZ3 LYS 32 1.706 -4.761 12.083 260 H GLN 33 HN GLN 33 3.413 -4.270 5.888 261 HA GLN 33 HA GLN 33 4.579 -1.924 4.553 262 1HB GLN 33 HB2 GLN 33 4.705 -3.997 3.248 263 2HB GLN 33 HB1 GLN 33 2.965 -4.206 3.388 264 1HG GLN 33 HG2 GLN 33 2.624 -2.135 2.128 265 2HG GLN 33 HG1 GLN 33 4.369 -1.948 1.979 266 1HE2 GLN 33 HE21 GLN 33 2.330 -2.214 -0.081 267 2HE2 GLN 33 HE22 GLN 33 2.785 -3.581 -1.035 268 H SER 34 HN SER 34 3.436 -0.230 5.328 269 HA SER 34 HA SER 34 0.536 -0.355 5.428 270 1HB SER 34 HB2 SER 34 2.397 1.970 5.981 271 2HB SER 34 HB1 SER 34 0.675 1.907 6.351 272 HG SER 34 HG SER 34 1.194 0.072 7.718 273 H SER 35 HN SER 35 -0.135 -0.553 3.334 274 HA SER 35 HA SER 35 0.777 1.466 1.396 275 1HB SER 35 HB2 SER 35 1.249 -0.872 0.777 276 2HB SER 35 HB1 SER 35 -0.459 -1.267 0.948 277 HG SER 35 HG SER 35 -0.915 -0.171 -0.860 278 H GLU 36 HN GLU 36 -0.664 3.142 1.551 279 HA GLU 36 HA GLU 36 -3.527 2.462 1.631 280 1HB GLU 36 HB2 GLU 36 -2.868 4.016 3.352 281 2HB GLU 36 HB1 GLU 36 -2.068 5.038 2.175 282 1HG GLU 36 HG2 GLU 36 -4.493 5.113 1.124 283 2HG GLU 36 HG1 GLU 36 -4.954 4.742 2.785 284 H THR 37 HN THR 37 -4.835 2.864 -0.053 285 HA THR 37 HA THR 37 -3.787 4.564 -2.219 286 HB THR 37 HB THR 37 -5.736 2.263 -2.498 287 HG1 THR 37 HG1 THR 37 -3.097 2.247 -2.287 288 1HG2 THR 37 HG21 THR 37 -6.090 4.033 -4.157 289 2HG2 THR 37 HG22 THR 37 -5.412 2.588 -4.908 290 3HG2 THR 37 HG23 THR 37 -4.379 3.980 -4.584 291 H LYS 38 HN LYS 38 -4.679 6.490 -1.764 292 HA LYS 38 HA LYS 38 -7.393 6.709 -0.790 293 1HB LYS 38 HB2 LYS 38 -5.631 8.233 0.022 294 2HB LYS 38 HB1 LYS 38 -5.457 8.880 -1.605 295 1HG LYS 38 HG2 LYS 38 -7.807 9.622 -1.524 296 2HG LYS 38 HG1 LYS 38 -7.905 9.045 0.138 297 1HD LYS 38 HD2 LYS 38 -5.948 11.129 -0.815 298 2HD LYS 38 HD1 LYS 38 -7.516 11.505 -0.106 299 1HE LYS 38 HE2 LYS 38 -6.058 11.700 1.690 300 2HE LYS 38 HE1 LYS 38 -6.719 10.081 1.885 301 1HZ LYS 38 HZ1 LYS 38 -4.227 10.389 2.154 302 2HZ LYS 38 HZ2 LYS 38 -4.168 10.547 0.466 303 3HZ LYS 38 HZ3 LYS 38 -4.739 9.105 1.167 304 H ILE 39 HN ILE 39 -9.005 6.423 -2.159 305 HA ILE 39 HA ILE 39 -8.672 7.239 -4.959 306 HB ILE 39 HB ILE 39 -10.869 5.562 -3.728 307 1HG1 ILE 39 HG12 ILE 39 -8.451 4.614 -5.281 308 2HG1 ILE 39 HG11 ILE 39 -8.581 4.546 -3.527 309 1HG2 ILE 39 HG21 ILE 39 -11.317 4.892 -6.045 310 2HG2 ILE 39 HG22 ILE 39 -10.055 5.993 -6.600 311 3HG2 ILE 39 HG23 ILE 39 -11.501 6.633 -5.820 312 1HD1 ILE 39 HD11 ILE 39 -9.076 2.395 -4.513 313 2HD1 ILE 39 HD12 ILE 39 -10.352 3.116 -5.494 314 3HD1 ILE 39 HD13 ILE 39 -10.514 3.062 -3.738 315 H GLN 40 HN GLN 40 -9.643 9.039 -5.679 316 HA GLN 40 HA GLN 40 -11.447 10.520 -3.981 317 1HB GLN 40 HB2 GLN 40 -10.786 11.056 -6.882 318 2HB GLN 40 HB1 GLN 40 -11.452 12.193 -5.721 319 1HG GLN 40 HG2 GLN 40 -8.677 11.030 -5.727 320 2HG GLN 40 HG1 GLN 40 -9.136 12.689 -6.104 321 1HE2 GLN 40 HE21 GLN 40 -8.547 10.372 -3.624 322 2HE2 GLN 40 HE22 GLN 40 -8.624 11.466 -2.289 323 H PHE 41 HN PHE 41 -13.650 11.092 -4.574 324 HA PHE 41 HA PHE 41 -15.097 8.889 -5.708 325 1HB PHE 41 HB2 PHE 41 -15.981 11.601 -4.719 326 2HB PHE 41 HB1 PHE 41 -17.101 10.423 -5.394 327 HD1 PHE 41 HD1 PHE 41 -17.674 11.361 -2.784 328 HD2 PHE 41 HD2 PHE 41 -14.953 8.301 -3.947 329 HE1 PHE 41 HE1 PHE 41 -17.904 10.317 -0.568 330 HE2 PHE 41 HE2 PHE 41 -15.179 7.254 -1.733 331 HZ PHE 41 HZ PHE 41 -16.656 8.262 -0.041 332 H ALA 42 HN ALA 42 -13.609 9.327 -7.691 333 HA ALA 42 HA ALA 42 -15.348 10.529 -9.714 334 1HB ALA 42 HB1 ALA 42 -12.380 11.055 -9.546 335 2HB ALA 42 HB2 ALA 42 -13.652 12.223 -9.190 336 3HB ALA 42 HB3 ALA 42 -13.460 11.601 -10.829 337 H SER 43 HN SER 43 -12.448 8.598 -9.040 338 HA SER 43 HA SER 43 -12.577 7.206 -11.545 339 1HB SER 43 HB2 SER 43 -11.008 6.449 -9.072 340 2HB SER 43 HB1 SER 43 -10.672 5.977 -10.740 341 HG SER 43 HG SER 43 -10.535 8.390 -11.076 342 H ILE 44 HN ILE 44 -14.322 7.001 -8.723 343 HA ILE 44 HA ILE 44 -14.900 4.145 -9.097 344 HB ILE 44 HB ILE 44 -14.225 4.665 -6.835 345 1HG1 ILE 44 HG12 ILE 44 -17.215 4.209 -6.969 346 2HG1 ILE 44 HG11 ILE 44 -15.980 2.965 -7.131 347 1HG2 ILE 44 HG21 ILE 44 -16.475 6.671 -6.801 348 2HG2 ILE 44 HG22 ILE 44 -14.748 7.030 -6.785 349 3HG2 ILE 44 HG23 ILE 44 -15.490 6.210 -5.412 350 1HD1 ILE 44 HD11 ILE 44 -15.265 3.363 -4.842 351 2HD1 ILE 44 HD12 ILE 44 -16.981 2.964 -4.913 352 3HD1 ILE 44 HD13 ILE 44 -16.473 4.637 -4.678 353 H GLY 45 HN GLY 45 -16.222 7.341 -9.308 354 1HA GLY 45 HA2 GLY 45 -18.155 8.045 -10.360 355 2HA GLY 45 HA1 GLY 45 -18.555 6.362 -10.662 356 H ALA 46 HN ALA 46 -17.861 6.864 -7.419 357 HA ALA 46 HA ALA 46 -20.540 6.297 -6.642 358 1HB ALA 46 HB1 ALA 46 -18.612 5.441 -5.398 359 2HB ALA 46 HB2 ALA 46 -19.691 6.375 -4.362 360 3HB ALA 46 HB3 ALA 46 -18.182 7.087 -4.936 361 H THR 47 HN THR 47 -22.130 7.700 -6.395 362 HA THR 47 HA THR 47 -21.750 10.512 -6.481 363 HB THR 47 HB THR 47 -24.237 9.022 -5.616 364 HG1 THR 47 HG1 THR 47 -24.645 8.633 -7.695 365 1HG2 THR 47 HG21 THR 47 -25.406 10.993 -6.487 366 2HG2 THR 47 HG22 THR 47 -23.858 11.741 -6.878 367 3HG2 THR 47 HG23 THR 47 -24.289 11.435 -5.196 368 H THR 48 HN THR 48 -22.693 8.259 -3.896 369 HA THR 48 HA THR 48 -22.073 10.372 -1.929 370 HB THR 48 HB THR 48 -23.796 8.089 -1.128 371 HG1 THR 48 HG1 THR 48 -24.691 8.613 -3.155 372 1HG2 THR 48 HG21 THR 48 -23.921 11.073 -0.658 373 2HG2 THR 48 HG22 THR 48 -23.246 9.873 0.444 374 3HG2 THR 48 HG23 THR 48 -24.974 9.873 0.092 375 H LYS 49 HN LYS 49 -21.363 9.435 0.229 376 HA LYS 49 HA LYS 49 -19.264 7.573 -0.061 377 1HB LYS 49 HB2 LYS 49 -19.185 7.571 2.416 378 2HB LYS 49 HB1 LYS 49 -19.214 9.192 1.737 379 1HG LYS 49 HG2 LYS 49 -21.589 9.377 2.264 380 2HG LYS 49 HG1 LYS 49 -21.570 7.745 2.932 381 1HD LYS 49 HD2 LYS 49 -19.906 8.465 4.595 382 2HD LYS 49 HD1 LYS 49 -19.977 10.101 3.943 383 1HE LYS 49 HE2 LYS 49 -21.341 9.884 5.959 384 2HE LYS 49 HE1 LYS 49 -22.333 10.253 4.549 385 1HZ LYS 49 HZ1 LYS 49 -21.931 7.485 5.531 386 2HZ LYS 49 HZ2 LYS 49 -23.105 8.045 4.445 387 3HZ LYS 49 HZ3 LYS 49 -23.195 8.471 6.084 388 H GLU 50 HN GLU 50 -22.638 7.250 0.617 389 HA GLU 50 HA GLU 50 -22.731 4.594 1.509 390 1HB GLU 50 HB2 GLU 50 -24.644 6.127 1.611 391 2HB GLU 50 HB1 GLU 50 -24.718 6.177 -0.142 392 1HG GLU 50 HG2 GLU 50 -25.005 3.564 1.265 393 2HG GLU 50 HG1 GLU 50 -26.362 4.687 1.222 394 H ASP 51 HN ASP 51 -22.908 5.974 -1.762 395 HA ASP 51 HA ASP 51 -23.097 3.535 -3.151 396 1HB ASP 51 HB2 ASP 51 -21.922 6.162 -4.090 397 2HB ASP 51 HB1 ASP 51 -22.352 4.811 -5.133 398 H ALA 52 HN ALA 52 -20.382 5.389 -1.971 399 HA ALA 52 HA ALA 52 -18.325 3.996 -3.289 400 1HB ALA 52 HB1 ALA 52 -17.986 6.154 -2.186 401 2HB ALA 52 HB2 ALA 52 -16.845 4.941 -1.600 402 3HB ALA 52 HB3 ALA 52 -18.239 5.390 -0.616 403 H ALA 53 HN ALA 53 -19.586 3.620 0.037 404 HA ALA 53 HA ALA 53 -18.095 1.322 0.665 405 1HB ALA 53 HB1 ALA 53 -19.215 2.685 2.360 406 2HB ALA 53 HB2 ALA 53 -19.685 0.990 2.486 407 3HB ALA 53 HB3 ALA 53 -20.783 2.158 1.752 408 H LYS 54 HN LYS 54 -21.276 1.731 -0.771 409 HA LYS 54 HA LYS 54 -22.141 -0.906 -0.858 410 1HB LYS 54 HB2 LYS 54 -23.524 1.048 -1.382 411 2HB LYS 54 HB1 LYS 54 -22.596 1.326 -2.843 412 1HG LYS 54 HG2 LYS 54 -23.476 -0.615 -3.879 413 2HG LYS 54 HG1 LYS 54 -24.188 -1.177 -2.362 414 1HD LYS 54 HD2 LYS 54 -25.865 -0.166 -3.868 415 2HD LYS 54 HD1 LYS 54 -25.718 0.706 -2.341 416 1HE LYS 54 HE2 LYS 54 -23.924 2.064 -3.797 417 2HE LYS 54 HE1 LYS 54 -25.002 1.540 -5.090 418 1HZ LYS 54 HZ1 LYS 54 -25.610 3.717 -4.166 419 2HZ LYS 54 HZ2 LYS 54 -25.864 3.002 -2.645 420 3HZ LYS 54 HZ3 LYS 54 -26.850 2.577 -3.957 421 H THR 55 HN THR 55 -19.743 0.708 -2.782 422 HA THR 55 HA THR 55 -19.630 -1.516 -4.683 423 HB THR 55 HB THR 55 -18.108 1.097 -4.753 424 HG1 THR 55 HG1 THR 55 -20.234 1.659 -4.960 425 1HG2 THR 55 HG21 THR 55 -18.673 -0.954 -6.900 426 2HG2 THR 55 HG22 THR 55 -17.117 -0.672 -6.120 427 3HG2 THR 55 HG23 THR 55 -17.833 0.578 -7.138 428 H LEU 56 HN LEU 56 -17.697 0.103 -2.205 429 HA LEU 56 HA LEU 56 -15.309 -1.349 -2.971 430 1HB LEU 56 HB2 LEU 56 -15.799 0.702 -0.824 431 2HB LEU 56 HB1 LEU 56 -14.239 -0.032 -1.146 432 HG LEU 56 HG LEU 56 -15.811 1.673 -3.081 433 1HD1 LEU 56 HD11 LEU 56 -14.883 2.964 -1.239 434 2HD1 LEU 56 HD12 LEU 56 -14.017 3.299 -2.738 435 3HD1 LEU 56 HD13 LEU 56 -13.296 2.248 -1.520 436 1HD2 LEU 56 HD21 LEU 56 -13.800 1.567 -4.471 437 2HD2 LEU 56 HD22 LEU 56 -14.501 -0.033 -4.229 438 3HD2 LEU 56 HD23 LEU 56 -13.065 0.446 -3.325 439 H GLU 57 HN GLU 57 -17.692 -1.543 -0.381 440 HA GLU 57 HA GLU 57 -16.117 -2.920 1.479 441 1HB GLU 57 HB2 GLU 57 -19.095 -2.991 1.042 442 2HB GLU 57 HB1 GLU 57 -18.297 -3.820 2.373 443 1HG GLU 57 HG2 GLU 57 -17.306 -1.558 2.968 444 2HG GLU 57 HG1 GLU 57 -18.481 -0.874 1.850 445 HA PRO 58 HA PRO 58 -17.619 -7.092 -0.492 446 1HB PRO 58 HB2 PRO 58 -18.318 -6.938 -3.141 447 2HB PRO 58 HB1 PRO 58 -19.476 -6.944 -1.808 448 1HG PRO 58 HG2 PRO 58 -18.416 -4.645 -3.390 449 2HG PRO 58 HG1 PRO 58 -20.060 -4.935 -2.791 450 1HD PRO 58 HD2 PRO 58 -18.353 -3.222 -1.582 451 2HD PRO 58 HD1 PRO 58 -19.558 -4.154 -0.675 452 H LEU 59 HN LEU 59 -15.756 -4.598 -1.902 453 HA LEU 59 HA LEU 59 -14.146 -6.430 -3.496 454 1HB LEU 59 HB2 LEU 59 -14.805 -4.198 -4.381 455 2HB LEU 59 HB1 LEU 59 -13.852 -3.447 -3.118 456 HG LEU 59 HG LEU 59 -12.503 -5.358 -4.978 457 1HD1 LEU 59 HD11 LEU 59 -13.800 -3.912 -6.452 458 2HD1 LEU 59 HD12 LEU 59 -12.077 -3.544 -6.556 459 3HD1 LEU 59 HD13 LEU 59 -13.152 -2.488 -5.637 460 1HD2 LEU 59 HD21 LEU 59 -10.615 -3.847 -4.612 461 2HD2 LEU 59 HD22 LEU 59 -11.268 -4.430 -3.081 462 3HD2 LEU 59 HD23 LEU 59 -11.638 -2.796 -3.632 463 H SER 60 HN SER 60 -13.868 -4.337 -0.654 464 HA SER 60 HA SER 60 -11.121 -4.841 -0.187 465 1HB SER 60 HB2 SER 60 -11.705 -4.006 2.162 466 2HB SER 60 HB1 SER 60 -12.018 -2.901 0.822 467 HG SER 60 HG SER 60 -14.111 -3.099 1.118 468 H ALA 61 HN ALA 61 -13.989 -6.629 0.492 469 HA ALA 61 HA ALA 61 -13.075 -8.286 2.578 470 1HB ALA 61 HB1 ALA 61 -14.870 -9.806 1.905 471 2HB ALA 61 HB2 ALA 61 -15.078 -8.900 0.407 472 3HB ALA 61 HB3 ALA 61 -15.429 -8.134 1.956 473 H LYS 62 HN LYS 62 -11.954 -7.989 -0.524 474 HA LYS 62 HA LYS 62 -11.243 -10.572 -1.308 475 1HB LYS 62 HB2 LYS 62 -11.095 -8.633 -2.769 476 2HB LYS 62 HB1 LYS 62 -9.862 -7.920 -1.745 477 1HG LYS 62 HG2 LYS 62 -8.328 -9.732 -2.340 478 2HG LYS 62 HG1 LYS 62 -9.573 -10.433 -3.378 479 1HD LYS 62 HD2 LYS 62 -7.946 -9.079 -4.651 480 2HD LYS 62 HD1 LYS 62 -9.588 -8.440 -4.764 481 1HE LYS 62 HE2 LYS 62 -9.043 -6.811 -2.992 482 2HE LYS 62 HE1 LYS 62 -7.388 -7.417 -2.970 483 1HZ LYS 62 HZ1 LYS 62 -8.687 -6.272 -5.382 484 2HZ LYS 62 HZ2 LYS 62 -7.047 -6.648 -5.179 485 3HZ LYS 62 HZ3 LYS 62 -7.734 -5.364 -4.309 486 H TYR 63 HN TYR 63 -9.659 -8.300 0.902 487 HA TYR 63 HA TYR 63 -7.410 -10.091 1.297 488 1HB TYR 63 HB2 TYR 63 -8.138 -7.451 2.569 489 2HB TYR 63 HB1 TYR 63 -6.718 -8.388 3.025 490 HD1 TYR 63 HD1 TYR 63 -8.056 -5.986 0.731 491 HD2 TYR 63 HD2 TYR 63 -5.020 -8.922 1.219 492 HE1 TYR 63 HE1 TYR 63 -6.779 -4.965 -1.106 493 HE2 TYR 63 HE2 TYR 63 -3.735 -7.915 -0.609 494 HH TYR 63 HH TYR 63 -4.463 -4.850 -1.896 495 H LYS 64 HN LYS 64 -10.373 -9.210 2.875 496 HA LYS 64 HA LYS 64 -11.581 -10.184 4.522 497 1HB LYS 64 HB2 LYS 64 -10.930 -12.172 3.002 498 2HB LYS 64 HB1 LYS 64 -9.825 -12.606 4.295 499 1HG LYS 64 HG2 LYS 64 -11.622 -12.926 5.826 500 2HG LYS 64 HG1 LYS 64 -12.785 -12.245 4.684 501 1HD LYS 64 HD2 LYS 64 -11.244 -14.826 4.395 502 2HD LYS 64 HD1 LYS 64 -12.982 -14.646 4.638 503 1HE LYS 64 HE2 LYS 64 -13.119 -13.453 2.471 504 2HE LYS 64 HE1 LYS 64 -11.401 -13.757 2.226 505 1HZ LYS 64 HZ1 LYS 64 -13.608 -15.733 2.312 506 2HZ LYS 64 HZ2 LYS 64 -11.980 -16.192 2.442 507 3HZ LYS 64 HZ3 LYS 64 -12.532 -15.414 1.040 508 H ASN 65 HN ASN 65 -9.009 -12.218 5.530 509 HA ASN 65 HA ASN 65 -7.630 -10.495 7.259 510 1HB ASN 65 HB2 ASN 65 -8.389 -11.470 9.442 511 2HB ASN 65 HB1 ASN 65 -9.590 -10.451 8.661 512 1HD2 ASN 65 HD21 ASN 65 -11.470 -11.353 7.905 513 2HD2 ASN 65 HD22 ASN 65 -11.971 -12.958 8.321 514 H ILE 66 HN ILE 66 -7.114 -12.324 5.289 515 HA ILE 66 HA ILE 66 -6.443 -14.928 5.844 516 HB ILE 66 HB ILE 66 -4.553 -13.083 4.388 517 1HG1 ILE 66 HG12 ILE 66 -7.008 -14.383 3.203 518 2HG1 ILE 66 HG11 ILE 66 -6.941 -12.694 3.708 519 1HG2 ILE 66 HG21 ILE 66 -5.288 -15.979 3.968 520 2HG2 ILE 66 HG22 ILE 66 -3.798 -15.379 4.696 521 3HG2 ILE 66 HG23 ILE 66 -4.142 -15.054 2.996 522 1HD1 ILE 66 HD11 ILE 66 -5.107 -12.326 2.115 523 2HD1 ILE 66 HD12 ILE 66 -6.602 -12.849 1.339 524 3HD1 ILE 66 HD13 ILE 66 -5.278 -13.994 1.568 525 H ALA 67 HN ALA 67 -4.589 -12.053 6.551 526 HA ALA 67 HA ALA 67 -2.993 -13.422 8.560 527 1HB ALA 67 HB1 ALA 67 -0.897 -12.530 7.602 528 2HB ALA 67 HB2 ALA 67 -1.801 -11.944 6.206 529 3HB ALA 67 HB3 ALA 67 -1.681 -13.676 6.513 530 H GLY 68 HN GLY 68 -1.160 -11.043 8.521 531 1HA GLY 68 HA2 GLY 68 -2.808 -9.198 9.992 532 2HA GLY 68 HA1 GLY 68 -1.100 -9.005 9.618 533 H VAL 69 HN VAL 69 -3.686 -9.577 7.312 534 HA VAL 69 HA VAL 69 -2.992 -7.097 5.945 535 HB VAL 69 HB VAL 69 -4.686 -8.086 4.200 536 1HG1 VAL 69 HG11 VAL 69 -2.866 -9.299 3.124 537 2HG1 VAL 69 HG12 VAL 69 -1.973 -9.332 4.644 538 3HG1 VAL 69 HG13 VAL 69 -2.283 -7.793 3.836 539 1HG2 VAL 69 HG21 VAL 69 -5.488 -9.895 5.665 540 2HG2 VAL 69 HG22 VAL 69 -3.865 -10.588 5.657 541 3HG2 VAL 69 HG23 VAL 69 -4.790 -10.498 4.159 542 H GLU 70 HN GLU 70 -3.997 -5.466 6.916 543 HA GLU 70 HA GLU 70 -6.836 -5.729 7.584 544 1HB GLU 70 HB2 GLU 70 -4.922 -3.481 8.229 545 2HB GLU 70 HB1 GLU 70 -6.565 -3.655 8.830 546 1HG GLU 70 HG2 GLU 70 -5.831 -5.792 9.919 547 2HG GLU 70 HG1 GLU 70 -4.179 -5.357 9.482 548 H GLU 71 HN GLU 71 -8.286 -5.038 6.184 549 HA GLU 71 HA GLU 71 -7.510 -3.005 4.228 550 1HB GLU 71 HB2 GLU 71 -10.021 -3.786 3.476 551 2HB GLU 71 HB1 GLU 71 -8.526 -4.452 2.842 552 1HG GLU 71 HG2 GLU 71 -9.972 -6.257 3.403 553 2HG GLU 71 HG1 GLU 71 -8.651 -6.234 4.566 554 H LYS 72 HN LYS 72 -7.704 -1.091 5.239 555 HA LYS 72 HA LYS 72 -10.146 -0.579 6.779 556 1HB LYS 72 HB2 LYS 72 -7.461 0.774 6.700 557 2HB LYS 72 HB1 LYS 72 -8.859 1.555 7.423 558 1HG LYS 72 HG2 LYS 72 -9.078 -0.382 8.958 559 2HG LYS 72 HG1 LYS 72 -7.577 -1.029 8.286 560 1HD LYS 72 HD2 LYS 72 -6.326 0.840 9.064 561 2HD LYS 72 HD1 LYS 72 -7.792 1.726 9.484 562 1HE LYS 72 HE2 LYS 72 -6.739 0.865 11.484 563 2HE LYS 72 HE1 LYS 72 -8.282 0.059 11.220 564 1HZ LYS 72 HZ1 LYS 72 -6.422 -1.424 11.889 565 2HZ LYS 72 HZ2 LYS 72 -5.673 -1.094 10.405 566 3HZ LYS 72 HZ3 LYS 72 -7.181 -1.872 10.444 567 H LEU 73 HN LEU 73 -11.682 -0.034 5.346 568 HA LEU 73 HA LEU 73 -11.209 1.984 3.325 569 1HB LEU 73 HB2 LEU 73 -13.686 0.530 4.241 570 2HB LEU 73 HB1 LEU 73 -13.723 1.799 3.033 571 HG LEU 73 HG LEU 73 -12.192 -0.790 2.775 572 1HD1 LEU 73 HD11 LEU 73 -14.765 0.111 1.489 573 2HD1 LEU 73 HD12 LEU 73 -14.611 -1.130 2.732 574 3HD1 LEU 73 HD13 LEU 73 -13.899 -1.385 1.137 575 1HD2 LEU 73 HD21 LEU 73 -12.715 1.429 0.796 576 2HD2 LEU 73 HD22 LEU 73 -11.897 -0.095 0.447 577 3HD2 LEU 73 HD23 LEU 73 -11.166 1.064 1.558 578 H THR 74 HN THR 74 -10.919 3.993 4.040 579 HA THR 74 HA THR 74 -12.635 4.925 6.235 580 HB THR 74 HB THR 74 -10.816 6.785 6.355 581 HG1 THR 74 HG1 THR 74 -9.253 4.688 5.241 582 1HG2 THR 74 HG21 THR 74 -9.487 5.408 7.891 583 2HG2 THR 74 HG22 THR 74 -10.237 3.953 7.234 584 3HG2 THR 74 HG23 THR 74 -11.215 5.130 8.111 585 H TYR 75 HN TYR 75 -14.245 6.147 5.645 586 HA TYR 75 HA TYR 75 -14.052 7.731 3.168 587 1HB TYR 75 HB2 TYR 75 -16.541 7.024 4.741 588 2HB TYR 75 HB1 TYR 75 -16.469 7.712 3.125 589 HD1 TYR 75 HD1 TYR 75 -16.079 6.313 1.198 590 HD2 TYR 75 HD2 TYR 75 -15.991 4.655 5.115 591 HE1 TYR 75 HE1 TYR 75 -16.170 4.052 0.241 592 HE2 TYR 75 HE2 TYR 75 -16.080 2.392 4.165 593 HH TYR 75 HH TYR 75 -16.739 1.263 2.168 594 H THR 76 HN THR 76 -13.681 9.863 3.446 595 HA THR 76 HA THR 76 -14.361 10.998 6.065 596 HB THR 76 HB THR 76 -12.262 11.998 4.144 597 HG1 THR 76 HG1 THR 76 -12.025 10.413 6.516 598 1HG2 THR 76 HG21 THR 76 -11.477 13.299 6.070 599 2HG2 THR 76 HG22 THR 76 -12.813 12.677 7.039 600 3HG2 THR 76 HG23 THR 76 -13.139 13.720 5.655 601 H ASP 77 HN ASP 77 -14.492 11.638 2.609 602 HA ASP 77 HA ASP 77 -16.688 13.429 2.922 603 1HB ASP 77 HB2 ASP 77 -14.982 14.977 3.651 604 2HB ASP 77 HB1 ASP 77 -13.994 14.618 2.238 605 H THR 78 HN THR 78 -14.179 13.877 0.496 606 HA THR 78 HA THR 78 -16.051 12.815 -1.518 607 HB THR 78 HB THR 78 -13.827 14.819 -2.006 608 HG1 THR 78 HG1 THR 78 -15.363 15.781 -0.631 609 1HG2 THR 78 HG21 THR 78 -14.596 13.608 -4.003 610 2HG2 THR 78 HG22 THR 78 -15.062 15.308 -4.067 611 3HG2 THR 78 HG23 THR 78 -16.258 14.080 -3.650 612 H TYR 79 HN TYR 79 -13.757 11.639 0.175 613 HA TYR 79 HA TYR 79 -12.599 10.127 -2.015 614 1HB TYR 79 HB2 TYR 79 -10.324 10.349 -1.181 615 2HB TYR 79 HB1 TYR 79 -10.982 11.931 -1.575 616 HD1 TYR 79 HD1 TYR 79 -9.755 9.759 1.079 617 HD2 TYR 79 HD2 TYR 79 -11.522 13.532 0.220 618 HE1 TYR 79 HE1 TYR 79 -9.125 10.557 3.314 619 HE2 TYR 79 HE2 TYR 79 -10.897 14.340 2.456 620 HH TYR 79 HH TYR 79 -10.342 13.417 4.670 621 H ALA 80 HN ALA 80 -11.970 8.085 -1.493 622 HA ALA 80 HA ALA 80 -12.490 7.194 1.264 623 1HB ALA 80 HB1 ALA 80 -13.226 5.049 0.340 624 2HB ALA 80 HB2 ALA 80 -12.991 5.667 -1.295 625 3HB ALA 80 HB3 ALA 80 -14.227 6.374 -0.254 626 H GLN 81 HN GLN 81 -10.763 6.320 2.218 627 HA GLN 81 HA GLN 81 -8.412 5.810 0.546 628 1HB GLN 81 HB2 GLN 81 -8.677 6.099 3.546 629 2HB GLN 81 HB1 GLN 81 -7.166 5.851 2.684 630 1HG GLN 81 HG2 GLN 81 -7.328 7.981 1.634 631 2HG GLN 81 HG1 GLN 81 -8.969 8.212 2.237 632 1HE2 GLN 81 HE21 GLN 81 -5.580 8.134 3.084 633 2HE2 GLN 81 HE22 GLN 81 -5.750 8.937 4.612 634 H GLU 82 HN GLU 82 -8.215 3.761 -0.115 635 HA GLU 82 HA GLU 82 -9.010 1.578 1.618 636 1HB GLU 82 HB2 GLU 82 -9.250 1.456 -0.890 637 2HB GLU 82 HB1 GLU 82 -7.495 1.436 -1.002 638 1HG GLU 82 HG2 GLU 82 -7.423 -0.648 0.251 639 2HG GLU 82 HG1 GLU 82 -9.176 -0.621 0.420 640 H ASN 83 HN ASN 83 -7.697 2.028 3.393 641 HA ASN 83 HA ASN 83 -4.827 2.207 3.057 642 1HB ASN 83 HB2 ASN 83 -6.227 3.450 4.828 643 2HB ASN 83 HB1 ASN 83 -6.295 1.913 5.680 644 1HD2 ASN 83 HD21 ASN 83 -3.545 1.184 4.833 645 2HD2 ASN 83 HD22 ASN 83 -2.504 2.152 5.813 646 H VAL 84 HN VAL 84 -3.884 0.368 2.467 647 HA VAL 84 HA VAL 84 -4.864 -2.152 3.622 648 HB VAL 84 HB VAL 84 -2.902 -1.772 1.353 649 1HG1 VAL 84 HG11 VAL 84 -4.414 -4.210 2.277 650 2HG1 VAL 84 HG12 VAL 84 -2.686 -3.923 2.472 651 3HG1 VAL 84 HG13 VAL 84 -3.370 -4.122 0.859 652 1HG2 VAL 84 HG21 VAL 84 -5.861 -2.344 1.256 653 2HG2 VAL 84 HG22 VAL 84 -4.769 -2.369 -0.128 654 3HG2 VAL 84 HG23 VAL 84 -5.065 -0.859 0.735 655 H THR 85 HN THR 85 -3.855 -2.912 5.345 656 HA THR 85 HA THR 85 -1.006 -2.251 5.709 657 HB THR 85 HB THR 85 -2.980 -3.186 7.807 658 HG1 THR 85 HG1 THR 85 -3.240 -0.991 6.788 659 1HG2 THR 85 HG21 THR 85 -1.264 -2.441 9.399 660 2HG2 THR 85 HG22 THR 85 -0.197 -2.027 8.057 661 3HG2 THR 85 HG23 THR 85 -0.644 -3.709 8.341 662 H ILE 86 HN ILE 86 0.371 -3.865 5.312 663 HA ILE 86 HA ILE 86 -0.673 -6.614 5.463 664 HB ILE 86 HB ILE 86 1.656 -5.661 3.788 665 1HG1 ILE 86 HG12 ILE 86 -1.177 -6.308 2.929 666 2HG1 ILE 86 HG11 ILE 86 -0.501 -4.686 3.032 667 1HG2 ILE 86 HG21 ILE 86 1.409 -7.847 2.694 668 2HG2 ILE 86 HG22 ILE 86 0.129 -8.264 3.834 669 3HG2 ILE 86 HG23 ILE 86 1.775 -8.008 4.412 670 1HD1 ILE 86 HD11 ILE 86 1.122 -5.255 1.301 671 2HD1 ILE 86 HD12 ILE 86 -0.535 -5.484 0.744 672 3HD1 ILE 86 HD13 ILE 86 0.442 -6.879 1.200 673 H ASP 87 HN ASP 87 -0.075 -7.424 7.360 674 HA ASP 87 HA ASP 87 2.552 -6.950 8.488 675 1HB ASP 87 HB2 ASP 87 0.140 -7.538 9.605 676 2HB ASP 87 HB1 ASP 87 0.870 -9.137 9.563 677 H MET 88 HN MET 88 4.251 -7.981 7.674 678 HA MET 88 HA MET 88 3.833 -10.215 5.871 679 1HB MET 88 HB2 MET 88 6.287 -8.601 6.556 680 2HB MET 88 HB1 MET 88 6.265 -9.900 5.374 681 1HG MET 88 HG2 MET 88 4.560 -7.429 5.210 682 2HG MET 88 HG1 MET 88 6.118 -7.622 4.409 683 1HE MET 88 HE1 MET 88 5.256 -7.176 2.001 684 2HE MET 88 HE2 MET 88 3.709 -6.755 2.735 685 3HE MET 88 HE3 MET 88 3.761 -7.856 1.356 686 H GLU 89 HN GLU 89 3.867 -10.423 8.982 687 HA GLU 89 HA GLU 89 5.898 -12.545 9.104 688 1HB GLU 89 HB2 GLU 89 5.491 -12.280 11.657 689 2HB GLU 89 HB1 GLU 89 6.473 -11.095 10.810 690 1HG GLU 89 HG2 GLU 89 5.102 -9.844 12.214 691 2HG GLU 89 HG1 GLU 89 4.361 -9.701 10.623 692 H LYS 90 HN LYS 90 2.772 -12.180 8.500 693 HA LYS 90 HA LYS 90 2.097 -14.830 9.582 694 1HB LYS 90 HB2 LYS 90 1.108 -12.964 10.948 695 2HB LYS 90 HB1 LYS 90 0.221 -12.458 9.521 696 1HG LYS 90 HG2 LYS 90 -0.894 -14.677 9.498 697 2HG LYS 90 HG1 LYS 90 -0.082 -15.045 11.024 698 1HD LYS 90 HD2 LYS 90 -1.121 -13.027 12.012 699 2HD LYS 90 HD1 LYS 90 -2.003 -12.780 10.504 700 1HE LYS 90 HE2 LYS 90 -3.073 -14.972 10.797 701 2HE LYS 90 HE1 LYS 90 -2.217 -15.172 12.327 702 1HZ LYS 90 HZ1 LYS 90 -3.328 -13.070 13.054 703 2HZ LYS 90 HZ2 LYS 90 -4.374 -14.383 12.827 704 3HZ LYS 90 HZ3 LYS 90 -4.290 -13.156 11.662 705 H VAL 91 HN VAL 91 2.544 -12.997 6.913 706 HA VAL 91 HA VAL 91 0.181 -13.312 5.419 707 HB VAL 91 HB VAL 91 1.827 -13.043 3.409 708 1HG1 VAL 91 HG11 VAL 91 1.389 -10.869 5.448 709 2HG1 VAL 91 HG12 VAL 91 0.279 -11.340 4.159 710 3HG1 VAL 91 HG13 VAL 91 1.840 -10.624 3.760 711 1HG2 VAL 91 HG21 VAL 91 3.568 -12.232 5.734 712 2HG2 VAL 91 HG22 VAL 91 3.912 -11.909 4.035 713 3HG2 VAL 91 HG23 VAL 91 3.863 -13.571 4.624 714 H ASP 92 HN ASP 92 -0.323 -14.608 3.711 715 HA ASP 92 HA ASP 92 1.260 -17.068 3.402 716 1HB ASP 92 HB2 ASP 92 -1.006 -17.488 4.331 717 2HB ASP 92 HB1 ASP 92 -1.711 -16.704 2.922 718 H PHE 93 HN PHE 93 2.535 -16.543 1.719 719 HA PHE 93 HA PHE 93 1.813 -14.708 -0.301 720 1HB PHE 93 HB2 PHE 93 4.036 -16.739 -0.113 721 2HB PHE 93 HB1 PHE 93 3.850 -15.683 -1.506 722 HD1 PHE 93 HD1 PHE 93 4.903 -15.930 1.953 723 HD2 PHE 93 HD2 PHE 93 4.133 -13.257 -1.264 724 HE1 PHE 93 HE1 PHE 93 6.177 -14.173 3.113 725 HE2 PHE 93 HE2 PHE 93 5.403 -11.492 -0.112 726 HZ PHE 93 HZ PHE 93 6.427 -11.950 2.081 727 H LYS 94 HN LYS 94 1.165 -18.053 0.066 728 HA LYS 94 HA LYS 94 0.921 -18.804 -2.651 729 1HB LYS 94 HB2 LYS 94 1.091 -20.408 -0.757 730 2HB LYS 94 HB1 LYS 94 -0.522 -19.935 -0.243 731 1HG LYS 94 HG2 LYS 94 -0.758 -21.963 -1.420 732 2HG LYS 94 HG1 LYS 94 -1.342 -20.694 -2.497 733 1HD LYS 94 HD2 LYS 94 0.015 -22.216 -3.769 734 2HD LYS 94 HD1 LYS 94 0.885 -20.689 -3.606 735 1HE LYS 94 HE2 LYS 94 2.386 -22.569 -3.256 736 2HE LYS 94 HE1 LYS 94 2.198 -21.642 -1.769 737 1HZ LYS 94 HZ1 LYS 94 0.802 -24.187 -2.417 738 2HZ LYS 94 HZ2 LYS 94 0.607 -23.293 -0.987 739 3HZ LYS 94 HZ3 LYS 94 2.099 -24.012 -1.337 740 H ALA 95 HN ALA 95 -1.518 -17.859 -0.228 741 HA ALA 95 HA ALA 95 -3.658 -17.778 -2.107 742 1HB ALA 95 HB1 ALA 95 -4.950 -16.782 -0.309 743 2HB ALA 95 HB2 ALA 95 -3.477 -16.492 0.615 744 3HB ALA 95 HB3 ALA 95 -4.007 -18.144 0.296 745 H LEU 96 HN LEU 96 -1.466 -15.350 -0.786 746 HA LEU 96 HA LEU 96 -2.817 -13.072 -1.741 747 1HB LEU 96 HB2 LEU 96 0.099 -13.513 -1.134 748 2HB LEU 96 HB1 LEU 96 -0.575 -11.950 -1.555 749 HG LEU 96 HG LEU 96 -1.231 -13.591 0.890 750 1HD1 LEU 96 HD11 LEU 96 -0.229 -11.706 2.078 751 2HD1 LEU 96 HD12 LEU 96 0.149 -10.937 0.535 752 3HD1 LEU 96 HD13 LEU 96 0.922 -12.460 0.974 753 1HD2 LEU 96 HD21 LEU 96 -2.338 -10.923 0.017 754 2HD2 LEU 96 HD22 LEU 96 -2.649 -11.720 1.559 755 3HD2 LEU 96 HD23 LEU 96 -3.228 -12.446 0.059 756 H GLN 97 HN GLN 97 -0.910 -15.408 -3.371 757 HA GLN 97 HA GLN 97 0.094 -13.785 -5.464 758 1HB GLN 97 HB2 GLN 97 0.467 -16.380 -4.618 759 2HB GLN 97 HB1 GLN 97 -0.353 -16.585 -6.160 760 1HG GLN 97 HG2 GLN 97 2.111 -16.589 -6.333 761 2HG GLN 97 HG1 GLN 97 1.335 -15.334 -7.298 762 1HE2 GLN 97 HE21 GLN 97 3.220 -15.985 -4.434 763 2HE2 GLN 97 HE22 GLN 97 3.777 -14.367 -4.191 764 H GLY 98 HN GLY 98 -3.017 -14.961 -4.809 765 1HA GLY 98 HA2 GLY 98 -3.833 -14.264 -7.567 766 2HA GLY 98 HA1 GLY 98 -4.666 -15.471 -6.594 767 H ILE 99 HN ILE 99 -3.482 -12.650 -5.023 768 HA ILE 99 HA ILE 99 -6.198 -11.532 -4.929 769 HB ILE 99 HB ILE 99 -4.369 -12.057 -2.589 770 1HG1 ILE 99 HG12 ILE 99 -7.199 -12.938 -3.210 771 2HG1 ILE 99 HG11 ILE 99 -5.759 -13.947 -3.308 772 1HG2 ILE 99 HG21 ILE 99 -6.922 -10.452 -2.628 773 2HG2 ILE 99 HG22 ILE 99 -5.299 -9.825 -2.346 774 3HG2 ILE 99 HG23 ILE 99 -6.030 -10.931 -1.183 775 1HD1 ILE 99 HD11 ILE 99 -5.439 -13.740 -0.911 776 2HD1 ILE 99 HD12 ILE 99 -7.040 -14.379 -1.285 777 3HD1 ILE 99 HD13 ILE 99 -6.852 -12.692 -0.804 778 H SER 100 HN SER 100 -2.769 -10.962 -4.417 779 HA SER 100 HA SER 100 -2.954 -8.208 -3.884 780 1HB SER 100 HB2 SER 100 -0.501 -8.194 -4.422 781 2HB SER 100 HB1 SER 100 -0.974 -9.412 -3.238 782 HG SER 100 HG SER 100 -0.209 -10.859 -4.544 783 H GLY 101 HN GLY 101 -2.022 -9.896 -6.826 784 1HA GLY 101 HA2 GLY 101 -2.427 -9.339 -9.041 785 2HA GLY 101 HA1 GLY 101 -3.325 -7.934 -8.482 786 H ILE 102 HN ILE 102 -0.105 -8.514 -7.343 787 HA ILE 102 HA ILE 102 0.829 -6.012 -8.337 788 HB ILE 102 HB ILE 102 2.457 -8.290 -7.188 789 1HG1 ILE 102 HG12 ILE 102 1.278 -5.870 -5.800 790 2HG1 ILE 102 HG11 ILE 102 0.654 -7.510 -5.667 791 1HG2 ILE 102 HG21 ILE 102 3.809 -6.672 -8.405 792 2HG2 ILE 102 HG22 ILE 102 4.102 -6.541 -6.670 793 3HG2 ILE 102 HG23 ILE 102 3.085 -5.353 -7.485 794 1HD1 ILE 102 HD11 ILE 102 2.759 -8.218 -4.640 795 2HD1 ILE 102 HD12 ILE 102 1.978 -6.928 -3.727 796 3HD1 ILE 102 HD13 ILE 102 3.364 -6.566 -4.756 797 H ASN 103 HN ASN 103 0.746 -5.958 -10.546 798 HA ASN 103 HA ASN 103 2.033 -8.101 -12.046 799 1HB ASN 103 HB2 ASN 103 -0.300 -7.116 -12.587 800 2HB ASN 103 HB1 ASN 103 0.587 -5.753 -13.257 801 1HD2 ASN 103 HD21 ASN 103 -0.183 -9.128 -13.599 802 2HD2 ASN 103 HD22 ASN 103 0.387 -9.297 -15.227 803 H VAL 104 HN VAL 104 3.492 -6.125 -10.478 804 HA VAL 104 HA VAL 104 4.969 -4.617 -12.467 805 HB VAL 104 HB VAL 104 5.638 -4.987 -9.541 806 1HG1 VAL 104 HG11 VAL 104 7.543 -4.307 -10.896 807 2HG1 VAL 104 HG12 VAL 104 7.018 -2.982 -9.856 808 3HG1 VAL 104 HG13 VAL 104 6.604 -2.975 -11.571 809 1HG2 VAL 104 HG21 VAL 104 4.143 -2.742 -10.893 810 2HG2 VAL 104 HG22 VAL 104 4.648 -2.772 -9.204 811 3HG2 VAL 104 HG23 VAL 104 3.454 -3.932 -9.788 812 H SER 105 HN SER 105 5.994 -6.877 -9.966 813 HA SER 105 HA SER 105 7.099 -8.582 -12.057 814 1HB SER 105 HB2 SER 105 8.973 -9.065 -10.295 815 2HB SER 105 HB1 SER 105 9.093 -7.626 -11.310 816 HG SER 105 HG SER 105 9.383 -7.461 -8.887 817 H ALA 106 HN ALA 106 5.559 -10.116 -11.920 818 HA ALA 106 HA ALA 106 4.140 -10.797 -9.595 819 1HB ALA 106 HB1 ALA 106 3.252 -12.661 -10.892 820 2HB ALA 106 HB2 ALA 106 4.503 -12.418 -12.112 821 3HB ALA 106 HB3 ALA 106 3.275 -11.180 -11.850 822 H GLU 107 HN GLU 107 7.026 -12.139 -11.068 823 HA GLU 107 HA GLU 107 7.178 -14.445 -9.422 824 1HB GLU 107 HB2 GLU 107 9.497 -14.600 -10.208 825 2HB GLU 107 HB1 GLU 107 8.381 -14.304 -11.532 826 1HG GLU 107 HG2 GLU 107 8.989 -11.893 -11.415 827 2HG GLU 107 HG1 GLU 107 10.220 -12.317 -10.224 828 H ASP 108 HN ASP 108 7.910 -11.126 -8.878 829 HA ASP 108 HA ASP 108 9.920 -11.521 -6.890 830 1HB ASP 108 HB2 ASP 108 8.564 -9.267 -8.147 831 2HB ASP 108 HB1 ASP 108 8.866 -8.995 -6.439 832 H ALA 109 HN ALA 109 6.437 -11.072 -6.875 833 HA ALA 109 HA ALA 109 6.205 -10.981 -4.029 834 1HB ALA 109 HB1 ALA 109 4.113 -11.681 -6.090 835 2HB ALA 109 HB2 ALA 109 4.473 -10.058 -5.502 836 3HB ALA 109 HB3 ALA 109 3.815 -11.269 -4.400 837 H LYS 110 HN LYS 110 6.721 -13.456 -6.314 838 HA LYS 110 HA LYS 110 5.768 -15.609 -4.628 839 1HB LYS 110 HB2 LYS 110 7.470 -15.715 -7.129 840 2HB LYS 110 HB1 LYS 110 6.693 -17.085 -6.350 841 1HG LYS 110 HG2 LYS 110 4.506 -16.176 -6.866 842 2HG LYS 110 HG1 LYS 110 5.255 -14.747 -7.585 843 1HD LYS 110 HD2 LYS 110 6.360 -16.201 -9.246 844 2HD LYS 110 HD1 LYS 110 5.526 -17.592 -8.552 845 1HE LYS 110 HE2 LYS 110 3.370 -16.554 -9.093 846 2HE LYS 110 HE1 LYS 110 4.217 -15.183 -9.809 847 1HZ LYS 110 HZ1 LYS 110 5.207 -16.696 -11.426 848 2HZ LYS 110 HZ2 LYS 110 3.512 -16.740 -11.505 849 3HZ LYS 110 HZ3 LYS 110 4.359 -17.999 -10.748 850 H LYS 111 HN LYS 111 8.842 -14.170 -5.586 851 HA LYS 111 HA LYS 111 10.490 -15.983 -4.140 852 1HB LYS 111 HB2 LYS 111 11.084 -13.155 -5.040 853 2HB LYS 111 HB1 LYS 111 12.275 -14.342 -4.525 854 1HG LYS 111 HG2 LYS 111 11.831 -15.714 -6.430 855 2HG LYS 111 HG1 LYS 111 10.462 -14.703 -6.897 856 1HD LYS 111 HD2 LYS 111 12.065 -12.798 -7.155 857 2HD LYS 111 HD1 LYS 111 13.379 -13.948 -6.896 858 1HE LYS 111 HE2 LYS 111 12.680 -15.221 -8.839 859 2HE LYS 111 HE1 LYS 111 11.306 -14.143 -9.076 860 1HZ LYS 111 HZ1 LYS 111 12.965 -12.311 -9.352 861 2HZ LYS 111 HZ2 LYS 111 12.982 -13.483 -10.577 862 3HZ LYS 111 HZ3 LYS 111 14.186 -13.492 -9.379 863 H GLY 112 HN GLY 112 9.028 -12.863 -3.424 864 1HA GLY 112 HA2 GLY 112 8.403 -12.740 -0.955 865 2HA GLY 112 HA1 GLY 112 10.123 -13.008 -0.691 866 H ILE 113 HN ILE 113 8.122 -10.681 -0.282 867 HA ILE 113 HA ILE 113 9.325 -8.619 -1.925 868 HB ILE 113 HB ILE 113 7.184 -8.458 0.200 869 1HG1 ILE 113 HG12 ILE 113 6.431 -9.632 -1.788 870 2HG1 ILE 113 HG11 ILE 113 5.689 -8.037 -1.743 871 1HG2 ILE 113 HG21 ILE 113 8.397 -6.366 0.107 872 2HG2 ILE 113 HG22 ILE 113 6.798 -6.170 -0.609 873 3HG2 ILE 113 HG23 ILE 113 8.218 -6.311 -1.646 874 1HD1 ILE 113 HD11 ILE 113 6.409 -8.647 -3.992 875 2HD1 ILE 113 HD12 ILE 113 8.069 -8.813 -3.420 876 3HD1 ILE 113 HD13 ILE 113 7.282 -7.235 -3.397 877 H THR 114 HN THR 114 11.205 -7.800 -1.362 878 HA THR 114 HA THR 114 11.777 -7.388 1.498 879 HB THR 114 HB THR 114 14.150 -7.725 1.025 880 HG1 THR 114 HG1 THR 114 14.000 -8.843 -1.417 881 1HG2 THR 114 HG21 THR 114 12.848 -9.698 1.651 882 2HG2 THR 114 HG22 THR 114 14.129 -10.129 0.518 883 3HG2 THR 114 HG23 THR 114 12.463 -9.993 -0.045 884 H MET 115 HN MET 115 13.915 -5.819 1.445 885 HA MET 115 HA MET 115 12.946 -3.289 0.642 886 1HB MET 115 HB2 MET 115 15.062 -4.280 2.227 887 2HB MET 115 HB1 MET 115 15.800 -3.270 0.994 888 1HG MET 115 HG2 MET 115 13.600 -2.422 2.862 889 2HG MET 115 HG1 MET 115 15.308 -2.042 3.048 890 1HE MET 115 HE1 MET 115 11.945 -0.968 1.620 891 2HE MET 115 HE2 MET 115 12.506 -1.844 0.195 892 3HE MET 115 HE3 MET 115 12.335 -0.090 0.141 893 H ALA 116 HN ALA 116 15.489 -5.395 -0.656 894 HA ALA 116 HA ALA 116 16.407 -3.744 -2.704 895 1HB ALA 116 HB1 ALA 116 16.271 -6.759 -2.666 896 2HB ALA 116 HB2 ALA 116 17.571 -5.772 -1.998 897 3HB ALA 116 HB3 ALA 116 17.277 -5.783 -3.736 898 H GLN 117 HN GLN 117 13.880 -6.230 -2.759 899 HA GLN 117 HA GLN 117 12.979 -6.037 -5.360 900 1HB GLN 117 HB2 GLN 117 11.697 -6.678 -2.751 901 2HB GLN 117 HB1 GLN 117 10.628 -6.322 -4.095 902 1HG GLN 117 HG2 GLN 117 10.916 -8.685 -3.923 903 2HG GLN 117 HG1 GLN 117 11.698 -8.119 -5.391 904 1HE2 GLN 117 HE21 GLN 117 12.044 -10.510 -3.621 905 2HE2 GLN 117 HE22 GLN 117 13.745 -10.562 -3.270 906 H MET 118 HN MET 118 11.546 -4.232 -2.633 907 HA MET 118 HA MET 118 9.919 -2.645 -4.200 908 1HB MET 118 HB2 MET 118 11.067 -2.219 -1.463 909 2HB MET 118 HB1 MET 118 10.005 -1.032 -2.212 910 1HG MET 118 HG2 MET 118 9.354 -3.909 -1.614 911 2HG MET 118 HG1 MET 118 8.714 -2.482 -0.796 912 1HE MET 118 HE1 MET 118 6.216 -3.376 -1.195 913 2HE MET 118 HE2 MET 118 6.857 -4.800 -2.016 914 3HE MET 118 HE3 MET 118 5.592 -3.836 -2.779 915 H GLU 119 HN GLU 119 13.282 -1.990 -3.226 916 HA GLU 119 HA GLU 119 13.406 0.641 -4.212 917 1HB GLU 119 HB2 GLU 119 15.516 -1.514 -3.971 918 2HB GLU 119 HB1 GLU 119 15.887 0.123 -4.489 919 1HG GLU 119 HG2 GLU 119 14.452 -0.323 -1.915 920 2HG GLU 119 HG1 GLU 119 16.195 -0.572 -2.007 921 H LEU 120 HN LEU 120 14.462 -2.364 -5.824 922 HA LEU 120 HA LEU 120 15.061 -1.170 -8.312 923 1HB LEU 120 HB2 LEU 120 14.286 -4.019 -7.666 924 2HB LEU 120 HB1 LEU 120 15.035 -3.497 -9.157 925 HG LEU 120 HG LEU 120 16.298 -3.376 -6.417 926 1HD1 LEU 120 HD11 LEU 120 17.784 -5.118 -7.288 927 2HD1 LEU 120 HD12 LEU 120 16.837 -5.176 -8.774 928 3HD1 LEU 120 HD13 LEU 120 16.103 -5.650 -7.242 929 1HD2 LEU 120 HD21 LEU 120 17.053 -1.556 -7.864 930 2HD2 LEU 120 HD22 LEU 120 17.455 -2.723 -9.123 931 3HD2 LEU 120 HD23 LEU 120 18.333 -2.739 -7.595 932 H VAL 121 HN VAL 121 12.214 -2.646 -7.015 933 HA VAL 121 HA VAL 121 10.757 -2.892 -9.442 934 HB VAL 121 HB VAL 121 10.259 -3.367 -6.538 935 1HG1 VAL 121 HG11 VAL 121 8.070 -3.485 -8.591 936 2HG1 VAL 121 HG12 VAL 121 8.185 -2.332 -7.260 937 3HG1 VAL 121 HG13 VAL 121 7.983 -4.051 -6.920 938 1HG2 VAL 121 HG21 VAL 121 9.753 -5.626 -7.352 939 2HG2 VAL 121 HG22 VAL 121 11.358 -5.076 -7.829 940 3HG2 VAL 121 HG23 VAL 121 10.041 -5.079 -9.002 941 H MET 122 HN MET 122 10.635 -0.632 -6.697 942 HA MET 122 HA MET 122 8.392 0.795 -7.767 943 1HB MET 122 HB2 MET 122 10.276 1.293 -5.482 944 2HB MET 122 HB1 MET 122 9.072 2.483 -5.942 945 1HG MET 122 HG2 MET 122 8.577 -0.349 -5.052 946 2HG MET 122 HG1 MET 122 8.205 1.126 -4.159 947 1HE MET 122 HE1 MET 122 6.322 -1.536 -5.280 948 2HE MET 122 HE2 MET 122 4.788 -0.678 -5.420 949 3HE MET 122 HE3 MET 122 5.812 -0.426 -4.005 950 H LYS 123 HN LYS 123 11.861 1.090 -7.977 951 HA LYS 123 HA LYS 123 11.877 3.655 -9.211 952 1HB LYS 123 HB2 LYS 123 13.890 2.632 -8.204 953 2HB LYS 123 HB1 LYS 123 13.880 1.402 -9.460 954 1HG LYS 123 HG2 LYS 123 14.279 3.092 -11.156 955 2HG LYS 123 HG1 LYS 123 14.220 4.358 -9.926 956 1HD LYS 123 HD2 LYS 123 16.154 3.314 -8.805 957 2HD LYS 123 HD1 LYS 123 16.232 2.117 -10.099 958 1HE LYS 123 HE2 LYS 123 16.694 3.835 -11.723 959 2HE LYS 123 HE1 LYS 123 16.466 5.094 -10.510 960 1HZ LYS 123 HZ1 LYS 123 18.790 4.729 -10.817 961 2HZ LYS 123 HZ2 LYS 123 18.630 3.061 -10.580 962 3HZ LYS 123 HZ3 LYS 123 18.367 4.132 -9.288 963 H ALA 124 HN ALA 124 11.422 0.379 -10.325 964 HA ALA 124 HA ALA 124 11.644 0.862 -13.104 965 1HB ALA 124 HB1 ALA 124 10.047 -1.272 -11.693 966 2HB ALA 124 HB2 ALA 124 11.757 -1.381 -12.107 967 3HB ALA 124 HB3 ALA 124 10.545 -1.283 -13.385 968 H ALA 125 HN ALA 125 8.950 1.060 -10.832 969 HA ALA 125 HA ALA 125 6.990 1.610 -12.856 970 1HB ALA 125 HB1 ALA 125 6.880 2.033 -9.871 971 2HB ALA 125 HB2 ALA 125 6.336 0.596 -10.739 972 3HB ALA 125 HB3 ALA 125 5.509 2.137 -10.974 973 H GLY 126 HN GLY 126 9.245 3.460 -10.998 974 1HA GLY 126 HA2 GLY 126 9.971 5.619 -11.473 975 2HA GLY 126 HA1 GLY 126 8.612 5.809 -12.571 976 H PHE 127 HN PHE 127 8.667 4.933 -9.135 977 HA PHE 127 HA PHE 127 6.814 7.140 -8.629 978 1HB PHE 127 HB2 PHE 127 7.598 4.770 -6.923 979 2HB PHE 127 HB1 PHE 127 6.477 6.030 -6.419 980 HD1 PHE 127 HD1 PHE 127 5.052 6.409 -9.048 981 HD2 PHE 127 HD2 PHE 127 6.174 2.901 -6.917 982 HE1 PHE 127 HE1 PHE 127 3.188 5.187 -10.086 983 HE2 PHE 127 HE2 PHE 127 4.310 1.674 -7.951 984 HZ PHE 127 HZ PHE 127 2.815 2.817 -9.539 985 H LYS 128 HN LYS 128 7.196 8.025 -6.197 986 HA LYS 128 HA LYS 128 10.032 8.803 -6.111 987 1HB LYS 128 HB2 LYS 128 9.341 11.089 -5.489 988 2HB LYS 128 HB1 LYS 128 8.789 10.641 -7.096 989 1HG LYS 128 HG2 LYS 128 6.552 10.318 -6.313 990 2HG LYS 128 HG1 LYS 128 7.061 10.516 -4.635 991 1HD LYS 128 HD2 LYS 128 7.246 12.650 -6.763 992 2HD LYS 128 HD1 LYS 128 5.963 12.534 -5.557 993 1HE LYS 128 HE2 LYS 128 7.624 12.771 -3.773 994 2HE LYS 128 HE1 LYS 128 8.903 12.891 -4.979 995 1HZ LYS 128 HZ1 LYS 128 6.654 14.801 -4.609 996 2HZ LYS 128 HZ2 LYS 128 7.826 14.902 -5.832 997 3HZ LYS 128 HZ3 LYS 128 8.281 15.071 -4.208 998 H GLU 129 HN GLU 129 10.980 8.809 -4.178 999 HA GLU 129 HA GLU 129 9.658 7.763 -1.891 1000 1HB GLU 129 HB2 GLU 129 12.337 9.133 -2.183 1001 2HB GLU 129 HB1 GLU 129 11.778 8.361 -0.708 1002 1HG GLU 129 HG2 GLU 129 11.663 6.218 -1.887 1003 2HG GLU 129 HG1 GLU 129 12.266 7.004 -3.347 1004 H VAL 130 HN VAL 130 9.061 8.798 -0.001 1005 HA VAL 130 HA VAL 130 9.023 11.734 -0.111 1006 HB VAL 130 HB VAL 130 6.800 9.842 0.636 1007 1HG1 VAL 130 HG11 VAL 130 7.060 12.698 1.586 1008 2HG1 VAL 130 HG12 VAL 130 7.031 11.255 2.602 1009 3HG1 VAL 130 HG13 VAL 130 5.598 11.716 1.682 1010 1HG2 VAL 130 HG21 VAL 130 6.902 10.757 -1.608 1011 2HG2 VAL 130 HG22 VAL 130 6.939 12.397 -0.954 1012 3HG2 VAL 130 HG23 VAL 130 5.508 11.387 -0.731 1013 H LYS 131 HN LYS 131 9.325 8.853 1.837 1014 HA LYS 131 HA LYS 131 10.085 8.438 3.921 1015 1HB LYS 131 HB2 LYS 131 11.659 10.940 3.307 1016 2HB LYS 131 HB1 LYS 131 11.915 9.980 4.757 1017 1HG LYS 131 HG2 LYS 131 12.424 8.024 3.311 1018 2HG LYS 131 HG1 LYS 131 12.296 9.083 1.904 1019 1HD LYS 131 HD2 LYS 131 14.140 10.416 2.665 1020 2HD LYS 131 HD1 LYS 131 14.190 9.555 4.203 1021 1HE LYS 131 HE2 LYS 131 15.971 8.719 2.866 1022 2HE LYS 131 HE1 LYS 131 14.728 7.472 2.920 1023 1HZ LYS 131 HZ1 LYS 131 14.058 7.994 0.718 1024 2HZ LYS 131 HZ2 LYS 131 15.748 7.881 0.692 1025 3HZ LYS 131 HZ3 LYS 131 15.004 9.403 0.682 1026 H LEU 132 HN LEU 132 10.750 10.165 6.063 1027 HA LEU 132 HA LEU 132 8.080 11.283 6.595 1028 1HB LEU 132 HB2 LEU 132 9.972 10.475 8.777 1029 2HB LEU 132 HB1 LEU 132 8.225 10.626 8.822 1030 HG LEU 132 HG LEU 132 8.307 8.599 7.147 1031 1HD1 LEU 132 HD11 LEU 132 10.141 7.058 7.647 1032 2HD1 LEU 132 HD12 LEU 132 10.913 8.298 8.637 1033 3HD1 LEU 132 HD13 LEU 132 10.729 8.545 6.900 1034 1HD2 LEU 132 HD21 LEU 132 7.244 8.581 9.334 1035 2HD2 LEU 132 HD22 LEU 132 8.808 8.312 10.103 1036 3HD2 LEU 132 HD23 LEU 132 8.122 7.080 9.043 1037 H GLU 133 HN GLU 133 10.382 12.542 5.334 1038 HA GLU 133 HA GLU 133 10.856 14.726 7.246 1039 1HB GLU 133 HB2 GLU 133 12.932 13.514 6.785 1040 2HB GLU 133 HB1 GLU 133 12.680 13.699 5.057 1041 1HG GLU 133 HG2 GLU 133 14.355 15.252 5.909 1042 2HG GLU 133 HG1 GLU 133 12.960 16.098 5.242 1043 H HIS 134 HN HIS 134 10.690 16.835 6.434 1044 HA HIS 134 HA HIS 134 9.766 17.096 3.660 1045 1HB HIS 134 HB2 HIS 134 7.973 17.108 5.737 1046 2HB HIS 134 HB1 HIS 134 8.322 18.824 5.549 1047 HD1 HIS 134 HD1 HIS 134 5.920 16.527 4.504 1048 HD2 HIS 134 HD2 HIS 134 8.188 19.366 2.465 1049 HE1 HIS 134 HE1 HIS 134 4.677 16.989 2.367 1050 HE2 HIS 134 HE2 HIS 134 6.115 18.622 1.097 1051 H HIS 135 HN HIS 135 11.873 18.012 5.983 1052 HA HIS 135 HA HIS 135 12.032 20.831 5.400 1053 1HB HIS 135 HB2 HIS 135 13.785 18.930 6.945 1054 2HB HIS 135 HB1 HIS 135 14.279 20.587 6.625 1055 HD1 HIS 135 HD1 HIS 135 13.560 22.274 8.282 1056 HD2 HIS 135 HD2 HIS 135 11.269 18.808 8.481 1057 HE1 HIS 135 HE1 HIS 135 12.063 22.562 10.283 1058 HE2 HIS 135 HE2 HIS 135 10.895 20.344 10.528 1059 H HIS 136 HN HIS 136 13.959 21.826 4.494 1060 HA HIS 136 HA HIS 136 15.079 20.190 2.319 1061 1HB HIS 136 HB2 HIS 136 14.847 23.204 2.503 1062 2HB HIS 136 HB1 HIS 136 15.493 22.303 1.136 1063 HD1 HIS 136 HD1 HIS 136 13.816 21.287 -0.512 1064 HD2 HIS 136 HD2 HIS 136 12.033 23.029 2.824 1065 HE1 HIS 136 HE1 HIS 136 11.352 21.368 -1.017 1066 HE2 HIS 136 HE2 HIS 136 10.280 22.301 1.069 1067 H HIS 137 HN HIS 137 17.338 20.840 1.675 1068 HA HIS 137 HA HIS 137 18.914 20.714 4.108 1069 1HB HIS 137 HB2 HIS 137 19.748 20.395 1.220 1070 2HB HIS 137 HB1 HIS 137 20.792 20.136 2.612 1071 HD1 HIS 137 HD1 HIS 137 19.259 18.354 4.406 1072 HD2 HIS 137 HD2 HIS 137 19.097 17.974 0.268 1073 HE1 HIS 137 HE1 HIS 137 18.526 15.989 3.970 1074 HE2 HIS 137 HE2 HIS 137 18.701 15.722 1.469 1075 H HIS 138 HN HIS 138 19.495 22.575 5.011 1076 HA HIS 138 HA HIS 138 21.109 24.348 3.340 1077 1HB HIS 138 HB2 HIS 138 18.915 25.473 3.637 1078 2HB HIS 138 HB1 HIS 138 19.131 25.390 5.382 1079 HD1 HIS 138 HD1 HIS 138 21.036 26.809 2.396 1080 HD2 HIS 138 HD2 HIS 138 20.280 27.631 6.403 1081 HE1 HIS 138 HE1 HIS 138 22.140 29.020 2.854 1082 HE2 HIS 138 HE2 HIS 138 21.874 29.374 5.334 1083 H HIS 139 HN HIS 139 22.662 22.881 4.360 1084 HA HIS 139 HA HIS 139 23.679 24.152 6.782 1085 1HB HIS 139 HB2 HIS 139 23.287 21.175 6.438 1086 2HB HIS 139 HB1 HIS 139 24.421 21.853 7.599 1087 HD1 HIS 139 HD1 HIS 139 21.305 20.393 7.664 1088 HD2 HIS 139 HD2 HIS 139 22.737 23.992 9.181 1089 HE1 HIS 139 HE1 HIS 139 19.690 21.057 9.479 1090 HE2 HIS 139 HE2 HIS 139 20.598 23.216 10.422 Start of MODEL 17 1 1H MET 1 HT1 MET 1 18.748 -3.543 17.167 2 2H MET 1 HT2 MET 1 20.145 -2.924 16.428 3 3H MET 1 HT3 MET 1 20.198 -4.419 17.217 4 HA MET 1 HA MET 1 20.142 -4.614 14.781 5 1HB MET 1 HB2 MET 1 17.867 -5.720 16.426 6 2HB MET 1 HB1 MET 1 18.133 -6.198 14.756 7 1HG MET 1 HG2 MET 1 20.121 -6.528 16.989 8 2HG MET 1 HG1 MET 1 19.063 -7.794 16.369 9 1HE MET 1 HE1 MET 1 22.530 -8.953 15.016 10 2HE MET 1 HE2 MET 1 21.075 -9.418 15.896 11 3HE MET 1 HE3 MET 1 22.174 -8.221 16.580 12 H GLY 2 HN GLY 2 19.390 -1.975 14.824 13 1HA GLY 2 HA2 GLY 2 17.992 -0.401 13.884 14 2HA GLY 2 HA1 GLY 2 17.546 -1.674 12.753 15 H ASP 3 HN ASP 3 16.877 -0.492 16.034 16 HA ASP 3 HA ASP 3 14.400 -2.056 15.980 17 1HB ASP 3 HB2 ASP 3 15.923 -0.927 18.330 18 2HB ASP 3 HB1 ASP 3 14.468 -1.920 18.430 19 H LYS 4 HN LYS 4 14.884 0.753 14.878 20 HA LYS 4 HA LYS 4 12.648 2.054 16.258 21 1HB LYS 4 HB2 LYS 4 13.948 2.914 13.666 22 2HB LYS 4 HB1 LYS 4 12.924 3.877 14.715 23 1HG LYS 4 HG2 LYS 4 14.688 3.844 16.428 24 2HG LYS 4 HG1 LYS 4 15.720 2.940 15.313 25 1HD LYS 4 HD2 LYS 4 15.338 4.846 13.667 26 2HD LYS 4 HD1 LYS 4 14.676 5.748 15.031 27 1HE LYS 4 HE2 LYS 4 16.998 6.323 14.730 28 2HE LYS 4 HE1 LYS 4 16.801 5.428 16.237 29 1HZ LYS 4 HZ1 LYS 4 17.649 4.169 13.686 30 2HZ LYS 4 HZ2 LYS 4 17.672 3.477 15.237 31 3HZ LYS 4 HZ3 LYS 4 18.736 4.740 14.855 32 H GLU 5 HN GLU 5 13.347 -0.178 13.862 33 HA GLU 5 HA GLU 5 12.333 -1.128 12.100 34 1HB GLU 5 HB2 GLU 5 9.856 0.042 13.362 35 2HB GLU 5 HB1 GLU 5 9.826 -1.009 11.952 36 1HG GLU 5 HG2 GLU 5 11.038 -2.717 13.340 37 2HG GLU 5 HG1 GLU 5 10.741 -1.676 14.732 38 H GLU 6 HN GLU 6 12.315 -0.550 9.996 39 HA GLU 6 HA GLU 6 12.718 2.330 9.681 40 1HB GLU 6 HB2 GLU 6 13.577 0.094 7.845 41 2HB GLU 6 HB1 GLU 6 14.121 1.767 7.806 42 1HG GLU 6 HG2 GLU 6 14.596 -0.090 10.121 43 2HG GLU 6 HG1 GLU 6 15.737 0.144 8.799 44 H SER 7 HN SER 7 11.214 3.459 8.756 45 HA SER 7 HA SER 7 9.236 2.108 7.075 46 1HB SER 7 HB2 SER 7 9.075 4.845 8.351 47 2HB SER 7 HB1 SER 7 7.755 3.935 7.616 48 HG SER 7 HG SER 7 9.055 2.539 9.574 49 H LYS 8 HN LYS 8 9.680 2.226 4.973 50 HA LYS 8 HA LYS 8 10.581 4.824 3.906 51 1HB LYS 8 HB2 LYS 8 12.189 3.073 3.388 52 2HB LYS 8 HB1 LYS 8 10.914 2.052 2.736 53 1HG LYS 8 HG2 LYS 8 12.081 3.007 0.900 54 2HG LYS 8 HG1 LYS 8 10.510 3.803 0.997 55 1HD LYS 8 HD2 LYS 8 11.993 5.564 0.633 56 2HD LYS 8 HD1 LYS 8 11.743 5.593 2.380 57 1HE LYS 8 HE2 LYS 8 14.075 5.849 2.016 58 2HE LYS 8 HE1 LYS 8 13.828 4.202 2.594 59 1HZ LYS 8 HZ1 LYS 8 15.353 4.183 0.758 60 2HZ LYS 8 HZ2 LYS 8 14.275 5.046 -0.224 61 3HZ LYS 8 HZ3 LYS 8 13.905 3.459 0.251 62 H LYS 9 HN LYS 9 9.053 5.929 2.935 63 HA LYS 9 HA LYS 9 6.657 4.505 2.022 64 1HB LYS 9 HB2 LYS 9 6.380 6.260 3.778 65 2HB LYS 9 HB1 LYS 9 7.009 7.446 2.644 66 1HG LYS 9 HG2 LYS 9 5.109 6.819 1.113 67 2HG LYS 9 HG1 LYS 9 4.439 5.900 2.460 68 1HD LYS 9 HD2 LYS 9 4.990 8.864 2.388 69 2HD LYS 9 HD1 LYS 9 3.409 8.083 2.370 70 1HE LYS 9 HE2 LYS 9 3.927 7.127 4.608 71 2HE LYS 9 HE1 LYS 9 5.419 8.071 4.620 72 1HZ LYS 9 HZ1 LYS 9 3.744 9.255 5.818 73 2HZ LYS 9 HZ2 LYS 9 2.642 9.125 4.537 74 3HZ LYS 9 HZ3 LYS 9 4.030 10.087 4.366 75 H PHE 10 HN PHE 10 5.910 4.772 -0.037 76 HA PHE 10 HA PHE 10 7.185 6.855 -1.668 77 1HB PHE 10 HB2 PHE 10 7.249 5.488 -3.601 78 2HB PHE 10 HB1 PHE 10 7.884 4.467 -2.321 79 HD1 PHE 10 HD1 PHE 10 6.752 2.474 -1.657 80 HD2 PHE 10 HD2 PHE 10 4.985 5.117 -4.484 81 HE1 PHE 10 HE1 PHE 10 5.089 0.753 -2.228 82 HE2 PHE 10 HE2 PHE 10 3.321 3.406 -5.055 83 HZ PHE 10 HZ PHE 10 3.370 1.224 -3.931 84 H SER 11 HN SER 11 5.730 7.973 -3.030 85 HA SER 11 HA SER 11 2.944 7.153 -2.929 86 1HB SER 11 HB2 SER 11 3.264 8.579 -0.920 87 2HB SER 11 HB1 SER 11 3.796 9.894 -1.959 88 HG SER 11 HG SER 11 1.241 8.685 -1.827 89 H ALA 12 HN ALA 12 1.947 7.532 -4.775 90 HA ALA 12 HA ALA 12 2.845 9.719 -6.488 91 1HB ALA 12 HB1 ALA 12 2.520 6.884 -7.472 92 2HB ALA 12 HB2 ALA 12 4.051 7.738 -7.283 93 3HB ALA 12 HB3 ALA 12 2.871 8.296 -8.470 94 H ASN 13 HN ASN 13 1.184 10.783 -7.344 95 HA ASN 13 HA ASN 13 -1.497 9.818 -6.838 96 1HB ASN 13 HB2 ASN 13 -0.941 12.176 -6.399 97 2HB ASN 13 HB1 ASN 13 -0.527 12.397 -8.095 98 1HD2 ASN 13 HD21 ASN 13 -3.242 10.490 -6.948 99 2HD2 ASN 13 HD22 ASN 13 -4.477 11.540 -7.565 100 H LEU 14 HN LEU 14 -2.250 8.367 -8.225 101 HA LEU 14 HA LEU 14 -1.508 8.410 -11.019 102 1HB LEU 14 HB2 LEU 14 -3.562 6.683 -9.632 103 2HB LEU 14 HB1 LEU 14 -2.858 6.405 -11.212 104 HG LEU 14 HG LEU 14 -1.435 6.213 -8.553 105 1HD1 LEU 14 HD11 LEU 14 -2.183 4.130 -10.596 106 2HD1 LEU 14 HD12 LEU 14 -2.919 4.350 -9.008 107 3HD1 LEU 14 HD13 LEU 14 -1.233 3.845 -9.137 108 1HD2 LEU 14 HD21 LEU 14 0.106 7.082 -10.218 109 2HD2 LEU 14 HD22 LEU 14 -0.357 5.808 -11.345 110 3HD2 LEU 14 HD23 LEU 14 0.497 5.399 -9.856 111 H ASN 15 HN ASN 15 -4.037 7.584 -12.116 112 HA ASN 15 HA ASN 15 -4.999 10.061 -12.920 113 1HB ASN 15 HB2 ASN 15 -6.982 8.783 -13.835 114 2HB ASN 15 HB1 ASN 15 -5.397 8.252 -14.375 115 1HD2 ASN 15 HD21 ASN 15 -6.162 6.241 -14.939 116 2HD2 ASN 15 HD22 ASN 15 -6.588 5.044 -13.764 117 H GLY 16 HN GLY 16 -6.169 8.023 -10.314 118 1HA GLY 16 HA2 GLY 16 -7.518 10.324 -9.183 119 2HA GLY 16 HA1 GLY 16 -8.592 9.027 -9.684 120 H THR 17 HN THR 17 -5.430 8.251 -8.525 121 HA THR 17 HA THR 17 -6.517 7.556 -5.898 122 HB THR 17 HB THR 17 -5.145 5.378 -6.109 123 HG1 THR 17 HG1 THR 17 -5.227 4.676 -8.426 124 1HG2 THR 17 HG21 THR 17 -7.686 5.735 -7.701 125 2HG2 THR 17 HG22 THR 17 -7.576 5.392 -5.974 126 3HG2 THR 17 HG23 THR 17 -7.036 4.192 -7.149 127 H GLU 18 HN GLU 18 -5.203 8.139 -4.282 128 HA GLU 18 HA GLU 18 -2.407 8.776 -4.885 129 1HB GLU 18 HB2 GLU 18 -3.756 9.044 -2.202 130 2HB GLU 18 HB1 GLU 18 -2.283 9.823 -2.750 131 1HG GLU 18 HG2 GLU 18 -3.796 10.999 -4.461 132 2HG GLU 18 HG1 GLU 18 -5.120 10.469 -3.420 133 H ILE 19 HN ILE 19 -1.220 6.920 -4.943 134 HA ILE 19 HA ILE 19 -1.706 4.944 -2.840 135 HB ILE 19 HB ILE 19 0.057 4.721 -5.287 136 1HG1 ILE 19 HG12 ILE 19 -2.679 3.605 -4.634 137 2HG1 ILE 19 HG11 ILE 19 -2.293 4.775 -5.889 138 1HG2 ILE 19 HG21 ILE 19 0.218 2.348 -4.704 139 2HG2 ILE 19 HG22 ILE 19 -0.712 2.646 -3.235 140 3HG2 ILE 19 HG23 ILE 19 0.884 3.370 -3.429 141 1HD1 ILE 19 HD11 ILE 19 -1.410 1.902 -5.813 142 2HD1 ILE 19 HD12 ILE 19 -1.006 3.070 -7.072 143 3HD1 ILE 19 HD13 ILE 19 -2.683 2.579 -6.827 144 H ALA 20 HN ALA 20 -0.737 5.505 -1.029 145 HA ALA 20 HA ALA 20 2.146 6.101 -1.155 146 1HB ALA 20 HB1 ALA 20 1.341 7.019 1.314 147 2HB ALA 20 HB2 ALA 20 0.004 7.484 0.260 148 3HB ALA 20 HB3 ALA 20 1.640 8.014 -0.109 149 H ILE 21 HN ILE 21 3.091 4.243 -0.720 150 HA ILE 21 HA ILE 21 1.942 2.527 1.370 151 HB ILE 21 HB ILE 21 3.809 1.823 -0.896 152 1HG1 ILE 21 HG12 ILE 21 0.917 1.124 -0.342 153 2HG1 ILE 21 HG11 ILE 21 1.521 2.142 -1.642 154 1HG2 ILE 21 HG21 ILE 21 2.675 0.047 1.259 155 2HG2 ILE 21 HG22 ILE 21 4.362 0.534 1.091 156 3HG2 ILE 21 HG23 ILE 21 3.614 -0.490 -0.134 157 1HD1 ILE 21 HD11 ILE 21 0.908 -0.039 -2.477 158 2HD1 ILE 21 HD12 ILE 21 2.001 -0.812 -1.328 159 3HD1 ILE 21 HD13 ILE 21 2.650 0.199 -2.618 160 H THR 22 HN THR 22 2.878 2.711 3.246 161 HA THR 22 HA THR 22 5.729 3.365 3.413 162 HB THR 22 HB THR 22 3.764 3.187 5.704 163 HG1 THR 22 HG1 THR 22 3.376 5.371 5.422 164 1HG2 THR 22 HG21 THR 22 5.378 4.657 6.827 165 2HG2 THR 22 HG22 THR 22 6.406 4.623 5.395 166 3HG2 THR 22 HG23 THR 22 6.135 3.146 6.321 167 H TYR 23 HN TYR 23 6.697 1.374 2.972 168 HA TYR 23 HA TYR 23 5.823 -0.916 4.527 169 1HB TYR 23 HB2 TYR 23 7.712 -2.104 3.248 170 2HB TYR 23 HB1 TYR 23 6.284 -1.611 2.352 171 HD1 TYR 23 HD1 TYR 23 6.419 0.015 0.609 172 HD2 TYR 23 HD2 TYR 23 9.851 -0.905 2.946 173 HE1 TYR 23 HE1 TYR 23 7.836 1.188 -1.024 174 HE2 TYR 23 HE2 TYR 23 11.279 0.267 1.323 175 HH TYR 23 HH TYR 23 9.995 2.261 -1.150 176 H VAL 24 HN VAL 24 6.720 -1.629 6.265 177 HA VAL 24 HA VAL 24 9.039 -0.188 7.330 178 HB VAL 24 HB VAL 24 6.987 -1.863 8.794 179 1HG1 VAL 24 HG11 VAL 24 7.947 -0.897 10.820 180 2HG1 VAL 24 HG12 VAL 24 9.155 -0.055 9.850 181 3HG1 VAL 24 HG13 VAL 24 9.150 -1.818 9.918 182 1HG2 VAL 24 HG21 VAL 24 7.265 1.133 8.593 183 2HG2 VAL 24 HG22 VAL 24 6.136 0.277 9.644 184 3HG2 VAL 24 HG23 VAL 24 5.978 0.152 7.891 185 H TYR 25 HN TYR 25 10.887 -1.204 7.178 186 HA TYR 25 HA TYR 25 10.914 -4.146 7.285 187 1HB TYR 25 HB2 TYR 25 13.035 -3.984 5.940 188 2HB TYR 25 HB1 TYR 25 11.589 -3.466 5.082 189 HD1 TYR 25 HD1 TYR 25 14.866 -2.516 6.247 190 HD2 TYR 25 HD2 TYR 25 11.162 -0.999 4.804 191 HE1 TYR 25 HE1 TYR 25 15.954 -0.376 5.715 192 HE2 TYR 25 HE2 TYR 25 12.239 1.144 4.273 193 HH TYR 25 HH TYR 25 14.227 2.433 5.007 194 H LYS 26 HN LYS 26 12.743 -5.112 8.317 195 HA LYS 26 HA LYS 26 14.155 -3.313 10.171 196 1HB LYS 26 HB2 LYS 26 12.204 -4.798 11.112 197 2HB LYS 26 HB1 LYS 26 13.381 -6.096 10.982 198 1HG LYS 26 HG2 LYS 26 14.862 -4.999 12.501 199 2HG LYS 26 HG1 LYS 26 13.854 -3.549 12.511 200 1HD LYS 26 HD2 LYS 26 11.998 -4.964 13.436 201 2HD LYS 26 HD1 LYS 26 13.171 -6.271 13.610 202 1HE LYS 26 HE2 LYS 26 13.354 -3.548 14.895 203 2HE LYS 26 HE1 LYS 26 12.860 -5.036 15.705 204 1HZ LYS 26 HZ1 LYS 26 15.082 -5.957 15.118 205 2HZ LYS 26 HZ2 LYS 26 15.140 -4.650 16.203 206 3HZ LYS 26 HZ3 LYS 26 15.533 -4.418 14.568 207 H GLY 27 HN GLY 27 16.125 -3.316 9.242 208 1HA GLY 27 HA2 GLY 27 18.161 -4.209 8.542 209 2HA GLY 27 HA1 GLY 27 17.508 -5.826 8.797 210 H ASP 28 HN ASP 28 17.173 -6.964 6.996 211 HA ASP 28 HA ASP 28 16.724 -5.484 4.486 212 1HB ASP 28 HB2 ASP 28 18.634 -7.269 4.841 213 2HB ASP 28 HB1 ASP 28 17.332 -8.421 4.566 214 H LYS 29 HN LYS 29 15.373 -7.690 6.758 215 HA LYS 29 HA LYS 29 13.324 -8.756 5.054 216 1HB LYS 29 HB2 LYS 29 14.272 -9.886 7.133 217 2HB LYS 29 HB1 LYS 29 13.351 -8.729 8.074 218 1HG LYS 29 HG2 LYS 29 11.286 -9.545 6.997 219 2HG LYS 29 HG1 LYS 29 12.241 -10.772 6.167 220 1HD LYS 29 HD2 LYS 29 12.157 -10.494 9.164 221 2HD LYS 29 HD1 LYS 29 11.047 -11.523 8.264 222 1HE LYS 29 HE2 LYS 29 12.740 -12.968 8.974 223 2HE LYS 29 HE1 LYS 29 13.128 -12.629 7.291 224 1HZ LYS 29 HZ1 LYS 29 14.368 -11.216 9.595 225 2HZ LYS 29 HZ2 LYS 29 14.829 -11.122 7.961 226 3HZ LYS 29 HZ3 LYS 29 15.053 -12.562 8.821 227 H VAL 30 HN VAL 30 11.521 -7.719 4.465 228 HA VAL 30 HA VAL 30 10.596 -5.390 5.921 229 HB VAL 30 HB VAL 30 9.192 -6.770 3.625 230 1HG1 VAL 30 HG11 VAL 30 9.072 -3.938 4.660 231 2HG1 VAL 30 HG12 VAL 30 7.835 -5.177 4.868 232 3HG1 VAL 30 HG13 VAL 30 8.201 -4.558 3.258 233 1HG2 VAL 30 HG21 VAL 30 11.466 -6.242 2.926 234 2HG2 VAL 30 HG22 VAL 30 11.268 -4.582 3.487 235 3HG2 VAL 30 HG23 VAL 30 10.309 -5.175 2.131 236 H LEU 31 HN LEU 31 8.989 -5.409 7.420 237 HA LEU 31 HA LEU 31 7.860 -8.066 7.996 238 1HB LEU 31 HB2 LEU 31 8.672 -5.856 9.878 239 2HB LEU 31 HB1 LEU 31 7.804 -7.298 10.378 240 HG LEU 31 HG LEU 31 10.514 -7.336 9.047 241 1HD1 LEU 31 HD11 LEU 31 9.836 -7.673 11.963 242 2HD1 LEU 31 HD12 LEU 31 10.651 -6.283 11.246 243 3HD1 LEU 31 HD13 LEU 31 11.429 -7.866 11.227 244 1HD2 LEU 31 HD21 LEU 31 8.933 -9.487 10.442 245 2HD2 LEU 31 HD22 LEU 31 10.556 -9.660 9.772 246 3HD2 LEU 31 HD23 LEU 31 9.189 -9.348 8.703 247 H LYS 32 HN LYS 32 7.142 -4.681 7.635 248 HA LYS 32 HA LYS 32 4.299 -5.386 7.659 249 1HB LYS 32 HB2 LYS 32 5.536 -3.044 9.114 250 2HB LYS 32 HB1 LYS 32 3.820 -3.157 8.752 251 1HG LYS 32 HG2 LYS 32 3.679 -5.206 10.082 252 2HG LYS 32 HG1 LYS 32 5.398 -5.073 10.456 253 1HD LYS 32 HD2 LYS 32 5.000 -2.940 11.573 254 2HD LYS 32 HD1 LYS 32 3.283 -3.041 11.170 255 1HE LYS 32 HE2 LYS 32 3.086 -5.076 12.499 256 2HE LYS 32 HE1 LYS 32 4.803 -5.000 12.885 257 1HZ LYS 32 HZ1 LYS 32 2.744 -3.003 13.664 258 2HZ LYS 32 HZ2 LYS 32 4.404 -2.877 13.999 259 3HZ LYS 32 HZ3 LYS 32 3.492 -4.129 14.690 260 H GLN 33 HN GLN 33 3.030 -4.151 6.238 261 HA GLN 33 HA GLN 33 4.391 -2.013 4.770 262 1HB GLN 33 HB2 GLN 33 4.602 -4.056 3.410 263 2HB GLN 33 HB1 GLN 33 2.858 -4.266 3.457 264 1HG GLN 33 HG2 GLN 33 2.564 -2.177 2.243 265 2HG GLN 33 HG1 GLN 33 4.310 -1.943 2.212 266 1HE2 GLN 33 HE21 GLN 33 5.565 -3.190 0.837 267 2HE2 GLN 33 HE22 GLN 33 4.884 -4.125 -0.445 268 H SER 34 HN SER 34 3.190 -0.292 5.308 269 HA SER 34 HA SER 34 0.296 -0.558 5.526 270 1HB SER 34 HB2 SER 34 1.562 0.767 7.228 271 2HB SER 34 HB1 SER 34 2.021 1.899 5.958 272 HG SER 34 HG SER 34 -0.123 2.009 7.424 273 H SER 35 HN SER 35 -0.394 -0.857 3.470 274 HA SER 35 HA SER 35 0.472 1.011 1.398 275 1HB SER 35 HB2 SER 35 -1.193 -1.505 1.150 276 2HB SER 35 HB1 SER 35 -0.470 -0.583 -0.171 277 HG SER 35 HG SER 35 0.717 -2.505 0.590 278 H GLU 36 HN GLU 36 -0.716 2.853 1.836 279 HA GLU 36 HA GLU 36 -3.621 2.583 1.991 280 1HB GLU 36 HB2 GLU 36 -2.642 4.088 3.606 281 2HB GLU 36 HB1 GLU 36 -1.817 4.964 2.336 282 1HG GLU 36 HG2 GLU 36 -4.452 5.097 1.564 283 2HG GLU 36 HG1 GLU 36 -4.537 5.220 3.319 284 H THR 37 HN THR 37 -4.867 2.851 0.305 285 HA THR 37 HA THR 37 -3.835 4.409 -1.971 286 HB THR 37 HB THR 37 -5.843 2.144 -2.088 287 HG1 THR 37 HG1 THR 37 -3.432 1.764 -1.681 288 1HG2 THR 37 HG21 THR 37 -6.183 3.810 -3.842 289 2HG2 THR 37 HG22 THR 37 -5.525 2.321 -4.523 290 3HG2 THR 37 HG23 THR 37 -4.477 3.718 -4.276 291 H LYS 38 HN LYS 38 -4.771 6.328 -1.972 292 HA LYS 38 HA LYS 38 -7.435 6.644 -0.837 293 1HB LYS 38 HB2 LYS 38 -5.535 8.205 -0.286 294 2HB LYS 38 HB1 LYS 38 -5.617 8.783 -1.945 295 1HG LYS 38 HG2 LYS 38 -7.900 9.529 -1.590 296 2HG LYS 38 HG1 LYS 38 -7.857 8.914 0.061 297 1HD LYS 38 HD2 LYS 38 -6.086 11.092 -1.047 298 2HD LYS 38 HD1 LYS 38 -7.515 11.349 -0.049 299 1HE LYS 38 HE2 LYS 38 -5.759 11.502 1.473 300 2HE LYS 38 HE1 LYS 38 -6.330 9.848 1.674 301 1HZ LYS 38 HZ1 LYS 38 -4.064 10.544 -0.107 302 2HZ LYS 38 HZ2 LYS 38 -4.494 9.009 0.494 303 3HZ LYS 38 HZ3 LYS 38 -3.851 10.174 1.535 304 H ILE 39 HN ILE 39 -8.971 6.011 -2.227 305 HA ILE 39 HA ILE 39 -8.720 6.643 -5.064 306 HB ILE 39 HB ILE 39 -10.989 5.179 -3.696 307 1HG1 ILE 39 HG12 ILE 39 -9.752 3.191 -4.956 308 2HG1 ILE 39 HG11 ILE 39 -8.344 4.214 -4.692 309 1HG2 ILE 39 HG21 ILE 39 -10.156 5.323 -6.588 310 2HG2 ILE 39 HG22 ILE 39 -11.561 6.106 -5.866 311 3HG2 ILE 39 HG23 ILE 39 -11.476 4.347 -5.946 312 1HD1 ILE 39 HD11 ILE 39 -8.581 2.561 -2.934 313 2HD1 ILE 39 HD12 ILE 39 -10.190 3.174 -2.557 314 3HD1 ILE 39 HD13 ILE 39 -8.775 4.192 -2.295 315 H GLN 40 HN GLN 40 -9.390 8.591 -5.709 316 HA GLN 40 HA GLN 40 -11.175 10.185 -4.134 317 1HB GLN 40 HB2 GLN 40 -10.362 10.688 -7.000 318 2HB GLN 40 HB1 GLN 40 -10.922 11.868 -5.825 319 1HG GLN 40 HG2 GLN 40 -8.295 10.405 -5.833 320 2HG GLN 40 HG1 GLN 40 -8.569 12.125 -6.096 321 1HE2 GLN 40 HE21 GLN 40 -9.039 13.445 -4.326 322 2HE2 GLN 40 HE22 GLN 40 -8.736 12.935 -2.704 323 H PHE 41 HN PHE 41 -13.270 10.939 -4.769 324 HA PHE 41 HA PHE 41 -14.910 8.913 -5.937 325 1HB PHE 41 HB2 PHE 41 -15.451 11.692 -4.919 326 2HB PHE 41 HB1 PHE 41 -16.702 10.762 -5.735 327 HD1 PHE 41 HD1 PHE 41 -18.164 10.680 -3.857 328 HD2 PHE 41 HD2 PHE 41 -14.189 9.196 -3.551 329 HE1 PHE 41 HE1 PHE 41 -18.740 9.582 -1.735 330 HE2 PHE 41 HE2 PHE 41 -14.760 8.096 -1.428 331 HZ PHE 41 HZ PHE 41 -17.039 8.288 -0.516 332 H ALA 42 HN ALA 42 -13.434 9.056 -7.904 333 HA ALA 42 HA ALA 42 -14.946 10.442 -9.979 334 1HB ALA 42 HB1 ALA 42 -11.941 10.639 -9.736 335 2HB ALA 42 HB2 ALA 42 -13.087 11.952 -9.460 336 3HB ALA 42 HB3 ALA 42 -12.914 11.257 -11.071 337 H SER 43 HN SER 43 -11.904 8.611 -9.716 338 HA SER 43 HA SER 43 -12.422 7.055 -12.026 339 1HB SER 43 HB2 SER 43 -10.463 6.430 -9.811 340 2HB SER 43 HB1 SER 43 -10.362 5.947 -11.506 341 HG SER 43 HG SER 43 -9.776 7.937 -12.065 342 H ILE 44 HN ILE 44 -13.178 6.679 -8.664 343 HA ILE 44 HA ILE 44 -13.661 3.863 -8.745 344 HB ILE 44 HB ILE 44 -13.127 4.962 -6.636 345 1HG1 ILE 44 HG12 ILE 44 -15.938 3.841 -6.648 346 2HG1 ILE 44 HG11 ILE 44 -14.455 2.899 -6.558 347 1HG2 ILE 44 HG21 ILE 44 -14.753 6.427 -5.516 348 2HG2 ILE 44 HG22 ILE 44 -15.753 6.400 -6.969 349 3HG2 ILE 44 HG23 ILE 44 -14.144 7.120 -7.019 350 1HD1 ILE 44 HD11 ILE 44 -13.941 3.906 -4.402 351 2HD1 ILE 44 HD12 ILE 44 -15.516 3.110 -4.383 352 3HD1 ILE 44 HD13 ILE 44 -15.416 4.868 -4.496 353 H GLY 45 HN GLY 45 -15.471 6.671 -9.619 354 1HA GLY 45 HA2 GLY 45 -17.491 6.787 -10.746 355 2HA GLY 45 HA1 GLY 45 -17.645 5.043 -10.583 356 H ALA 46 HN ALA 46 -16.976 6.709 -7.697 357 HA ALA 46 HA ALA 46 -19.727 6.248 -6.798 358 1HB ALA 46 HB1 ALA 46 -17.221 6.632 -5.163 359 2HB ALA 46 HB2 ALA 46 -17.962 5.081 -5.556 360 3HB ALA 46 HB3 ALA 46 -18.823 6.237 -4.540 361 H THR 47 HN THR 47 -20.810 7.832 -5.550 362 HA THR 47 HA THR 47 -19.622 10.526 -5.630 363 HB THR 47 HB THR 47 -21.153 10.360 -7.529 364 HG1 THR 47 HG1 THR 47 -21.759 12.026 -5.344 365 1HG2 THR 47 HG21 THR 47 -22.646 8.622 -6.678 366 2HG2 THR 47 HG22 THR 47 -23.558 10.043 -7.188 367 3HG2 THR 47 HG23 THR 47 -23.277 9.746 -5.473 368 H THR 48 HN THR 48 -20.676 8.209 -3.657 369 HA THR 48 HA THR 48 -21.347 10.088 -1.544 370 HB THR 48 HB THR 48 -23.230 7.790 -2.151 371 HG1 THR 48 HG1 THR 48 -23.199 10.462 -3.006 372 1HG2 THR 48 HG21 THR 48 -23.168 8.462 0.200 373 2HG2 THR 48 HG22 THR 48 -24.702 8.917 -0.541 374 3HG2 THR 48 HG23 THR 48 -23.461 10.139 -0.264 375 H LYS 49 HN LYS 49 -21.201 9.034 0.617 376 HA LYS 49 HA LYS 49 -18.969 7.312 0.691 377 1HB LYS 49 HB2 LYS 49 -19.311 7.244 3.133 378 2HB LYS 49 HB1 LYS 49 -19.344 8.876 2.490 379 1HG LYS 49 HG2 LYS 49 -21.826 8.792 2.565 380 2HG LYS 49 HG1 LYS 49 -21.701 7.222 3.362 381 1HD LYS 49 HD2 LYS 49 -20.532 9.809 4.393 382 2HD LYS 49 HD1 LYS 49 -22.023 9.066 4.967 383 1HE LYS 49 HE2 LYS 49 -19.325 7.726 5.067 384 2HE LYS 49 HE1 LYS 49 -20.014 8.645 6.403 385 1HZ LYS 49 HZ1 LYS 49 -20.395 6.257 6.633 386 2HZ LYS 49 HZ2 LYS 49 -21.241 6.237 5.166 387 3HZ LYS 49 HZ3 LYS 49 -21.859 7.102 6.486 388 H GLU 50 HN GLU 50 -22.427 6.680 1.248 389 HA GLU 50 HA GLU 50 -22.220 3.943 1.842 390 1HB GLU 50 HB2 GLU 50 -24.276 5.386 2.062 391 2HB GLU 50 HB1 GLU 50 -24.452 5.310 0.318 392 1HG GLU 50 HG2 GLU 50 -24.366 2.805 1.950 393 2HG GLU 50 HG1 GLU 50 -25.850 3.741 1.812 394 H ASP 51 HN ASP 51 -22.655 5.635 -1.208 395 HA ASP 51 HA ASP 51 -22.737 3.410 -2.906 396 1HB ASP 51 HB2 ASP 51 -23.531 5.553 -3.641 397 2HB ASP 51 HB1 ASP 51 -21.958 6.289 -3.372 398 H ALA 52 HN ALA 52 -20.037 5.356 -1.724 399 HA ALA 52 HA ALA 52 -18.023 4.173 -3.313 400 1HB ALA 52 HB1 ALA 52 -17.768 5.445 -0.590 401 2HB ALA 52 HB2 ALA 52 -17.702 6.292 -2.135 402 3HB ALA 52 HB3 ALA 52 -16.449 5.125 -1.716 403 H ALA 53 HN ALA 53 -19.099 3.492 0.015 404 HA ALA 53 HA ALA 53 -17.375 1.331 0.505 405 1HB ALA 53 HB1 ALA 53 -20.150 1.802 1.597 406 2HB ALA 53 HB2 ALA 53 -18.648 2.429 2.277 407 3HB ALA 53 HB3 ALA 53 -18.953 0.691 2.262 408 H LYS 54 HN LYS 54 -20.602 1.487 -0.863 409 HA LYS 54 HA LYS 54 -21.103 -1.246 -1.158 410 1HB LYS 54 HB2 LYS 54 -22.740 0.621 -1.314 411 2HB LYS 54 HB1 LYS 54 -22.063 1.049 -2.873 412 1HG LYS 54 HG2 LYS 54 -22.900 -0.893 -3.887 413 2HG LYS 54 HG1 LYS 54 -23.242 -1.654 -2.329 414 1HD LYS 54 HD2 LYS 54 -25.289 -0.814 -3.392 415 2HD LYS 54 HD1 LYS 54 -24.957 0.013 -1.870 416 1HE LYS 54 HE2 LYS 54 -23.776 1.771 -3.347 417 2HE LYS 54 HE1 LYS 54 -24.672 1.032 -4.676 418 1HZ LYS 54 HZ1 LYS 54 -26.095 2.683 -3.998 419 2HZ LYS 54 HZ2 LYS 54 -25.680 2.540 -2.357 420 3HZ LYS 54 HZ3 LYS 54 -26.677 1.376 -3.084 421 H THR 55 HN THR 55 -18.904 0.755 -2.813 422 HA THR 55 HA THR 55 -18.745 -1.038 -5.115 423 HB THR 55 HB THR 55 -17.236 1.537 -4.638 424 HG1 THR 55 HG1 THR 55 -19.351 2.137 -4.802 425 1HG2 THR 55 HG21 THR 55 -16.886 1.487 -7.065 426 2HG2 THR 55 HG22 THR 55 -17.736 -0.057 -7.157 427 3HG2 THR 55 HG23 THR 55 -16.203 0.057 -6.294 428 H LEU 56 HN LEU 56 -16.916 -0.009 -2.280 429 HA LEU 56 HA LEU 56 -14.530 -1.404 -3.214 430 1HB LEU 56 HB2 LEU 56 -15.007 0.357 -0.822 431 2HB LEU 56 HB1 LEU 56 -13.480 -0.432 -1.163 432 HG LEU 56 HG LEU 56 -14.830 1.663 -2.866 433 1HD1 LEU 56 HD11 LEU 56 -12.287 1.728 -1.249 434 2HD1 LEU 56 HD12 LEU 56 -13.797 2.544 -0.844 435 3HD1 LEU 56 HD13 LEU 56 -12.893 3.026 -2.279 436 1HD2 LEU 56 HD21 LEU 56 -12.231 0.195 -3.298 437 2HD2 LEU 56 HD22 LEU 56 -12.813 1.559 -4.254 438 3HD2 LEU 56 HD23 LEU 56 -13.695 0.032 -4.268 439 H GLU 57 HN GLU 57 -17.097 -1.859 -0.928 440 HA GLU 57 HA GLU 57 -15.902 -3.506 0.943 441 1HB GLU 57 HB2 GLU 57 -18.699 -3.304 -0.088 442 2HB GLU 57 HB1 GLU 57 -18.278 -4.572 1.057 443 1HG GLU 57 HG2 GLU 57 -17.547 -1.739 1.645 444 2HG GLU 57 HG1 GLU 57 -19.201 -2.299 1.909 445 HA PRO 58 HA PRO 58 -16.923 -7.406 -1.844 446 1HB PRO 58 HB2 PRO 58 -16.772 -6.837 -4.544 447 2HB PRO 58 HB1 PRO 58 -18.275 -7.049 -3.640 448 1HG PRO 58 HG2 PRO 58 -16.874 -4.529 -4.425 449 2HG PRO 58 HG1 PRO 58 -18.609 -4.895 -4.423 450 1HD PRO 58 HD2 PRO 58 -17.494 -3.420 -2.485 451 2HD PRO 58 HD1 PRO 58 -18.802 -4.568 -2.135 452 H LEU 59 HN LEU 59 -14.757 -4.790 -2.506 453 HA LEU 59 HA LEU 59 -12.704 -6.528 -3.617 454 1HB LEU 59 HB2 LEU 59 -12.887 -3.567 -3.145 455 2HB LEU 59 HB1 LEU 59 -11.349 -4.327 -3.504 456 HG LEU 59 HG LEU 59 -12.298 -5.153 -5.650 457 1HD1 LEU 59 HD11 LEU 59 -14.650 -3.417 -4.927 458 2HD1 LEU 59 HD12 LEU 59 -14.656 -5.176 -5.043 459 3HD1 LEU 59 HD13 LEU 59 -14.377 -4.199 -6.484 460 1HD2 LEU 59 HD21 LEU 59 -12.428 -2.173 -5.220 461 2HD2 LEU 59 HD22 LEU 59 -12.273 -2.982 -6.780 462 3HD2 LEU 59 HD23 LEU 59 -10.982 -3.114 -5.585 463 H SER 60 HN SER 60 -13.254 -4.543 -0.725 464 HA SER 60 HA SER 60 -10.825 -5.221 0.556 465 1HB SER 60 HB2 SER 60 -12.018 -4.425 2.629 466 2HB SER 60 HB1 SER 60 -12.038 -3.277 1.289 467 HG SER 60 HG SER 60 -14.103 -3.496 2.247 468 H ALA 61 HN ALA 61 -13.899 -6.790 0.270 469 HA ALA 61 HA ALA 61 -13.653 -8.630 2.402 470 1HB ALA 61 HB1 ALA 61 -15.211 -8.911 -0.164 471 2HB ALA 61 HB2 ALA 61 -15.783 -8.114 1.301 472 3HB ALA 61 HB3 ALA 61 -15.451 -9.847 1.312 473 H LYS 62 HN LYS 62 -11.952 -8.392 -0.509 474 HA LYS 62 HA LYS 62 -11.511 -11.187 -0.947 475 1HB LYS 62 HB2 LYS 62 -9.958 -8.787 -1.930 476 2HB LYS 62 HB1 LYS 62 -9.730 -10.438 -2.490 477 1HG LYS 62 HG2 LYS 62 -12.038 -10.459 -3.324 478 2HG LYS 62 HG1 LYS 62 -12.231 -8.788 -2.791 479 1HD LYS 62 HD2 LYS 62 -10.408 -8.114 -4.297 480 2HD LYS 62 HD1 LYS 62 -10.258 -9.785 -4.845 481 1HE LYS 62 HE2 LYS 62 -12.597 -9.704 -5.628 482 2HE LYS 62 HE1 LYS 62 -12.679 -8.011 -5.145 483 1HZ LYS 62 HZ1 LYS 62 -10.884 -7.533 -6.721 484 2HZ LYS 62 HZ2 LYS 62 -12.243 -8.192 -7.493 485 3HZ LYS 62 HZ3 LYS 62 -10.878 -9.158 -7.212 486 H TYR 63 HN TYR 63 -10.029 -8.680 0.969 487 HA TYR 63 HA TYR 63 -7.626 -10.196 1.506 488 1HB TYR 63 HB2 TYR 63 -8.694 -7.631 2.702 489 2HB TYR 63 HB1 TYR 63 -7.157 -8.357 3.145 490 HD1 TYR 63 HD1 TYR 63 -9.021 -6.754 0.382 491 HD2 TYR 63 HD2 TYR 63 -5.242 -8.096 1.797 492 HE1 TYR 63 HE1 TYR 63 -7.914 -5.550 -1.454 493 HE2 TYR 63 HE2 TYR 63 -4.123 -6.902 -0.028 494 HH TYR 63 HH TYR 63 -5.752 -4.620 -2.005 495 H LYS 64 HN LYS 64 -10.500 -11.004 2.292 496 HA LYS 64 HA LYS 64 -10.954 -10.865 5.000 497 1HB LYS 64 HB2 LYS 64 -12.579 -11.665 3.342 498 2HB LYS 64 HB1 LYS 64 -11.649 -13.142 3.142 499 1HG LYS 64 HG2 LYS 64 -12.109 -13.773 5.434 500 2HG LYS 64 HG1 LYS 64 -12.975 -12.258 5.697 501 1HD LYS 64 HD2 LYS 64 -14.619 -12.892 4.014 502 2HD LYS 64 HD1 LYS 64 -13.740 -14.390 3.704 503 1HE LYS 64 HE2 LYS 64 -14.155 -15.126 5.982 504 2HE LYS 64 HE1 LYS 64 -14.984 -13.612 6.339 505 1HZ LYS 64 HZ1 LYS 64 -16.523 -15.435 5.855 506 2HZ LYS 64 HZ2 LYS 64 -15.858 -15.596 4.305 507 3HZ LYS 64 HZ3 LYS 64 -16.677 -14.172 4.734 508 H ASN 65 HN ASN 65 -9.226 -11.152 6.279 509 HA ASN 65 HA ASN 65 -7.744 -12.200 7.626 510 1HB ASN 65 HB2 ASN 65 -10.010 -13.443 7.986 511 2HB ASN 65 HB1 ASN 65 -9.196 -14.781 7.180 512 1HD2 ASN 65 HD21 ASN 65 -10.150 -14.636 9.887 513 2HD2 ASN 65 HD22 ASN 65 -8.784 -14.881 10.916 514 H ILE 66 HN ILE 66 -6.762 -12.020 5.024 515 HA ILE 66 HA ILE 66 -5.597 -14.451 4.125 516 HB ILE 66 HB ILE 66 -4.428 -11.666 3.903 517 1HG1 ILE 66 HG12 ILE 66 -6.210 -13.148 1.960 518 2HG1 ILE 66 HG11 ILE 66 -6.684 -11.761 2.938 519 1HG2 ILE 66 HG21 ILE 66 -3.213 -12.557 1.975 520 2HG2 ILE 66 HG22 ILE 66 -3.896 -14.153 2.285 521 3HG2 ILE 66 HG23 ILE 66 -2.802 -13.419 3.458 522 1HD1 ILE 66 HD11 ILE 66 -6.187 -11.108 0.653 523 2HD1 ILE 66 HD12 ILE 66 -4.558 -11.766 0.811 524 3HD1 ILE 66 HD13 ILE 66 -5.046 -10.381 1.784 525 H ALA 67 HN ALA 67 -4.761 -12.064 6.487 526 HA ALA 67 HA ALA 67 -2.909 -13.601 7.945 527 1HB ALA 67 HB1 ALA 67 -1.732 -11.533 6.075 528 2HB ALA 67 HB2 ALA 67 -1.483 -13.277 5.980 529 3HB ALA 67 HB3 ALA 67 -0.854 -12.370 7.356 530 H GLY 68 HN GLY 68 -1.280 -11.254 8.655 531 1HA GLY 68 HA2 GLY 68 -3.130 -9.826 10.317 532 2HA GLY 68 HA1 GLY 68 -1.410 -9.495 10.143 533 H VAL 69 HN VAL 69 -3.983 -9.561 7.703 534 HA VAL 69 HA VAL 69 -3.162 -6.924 6.799 535 HB VAL 69 HB VAL 69 -4.969 -7.346 5.007 536 1HG1 VAL 69 HG11 VAL 69 -2.528 -9.112 5.095 537 2HG1 VAL 69 HG12 VAL 69 -2.575 -7.423 4.577 538 3HG1 VAL 69 HG13 VAL 69 -3.436 -8.655 3.651 539 1HG2 VAL 69 HG21 VAL 69 -5.460 -9.694 4.545 540 2HG2 VAL 69 HG22 VAL 69 -6.127 -9.182 6.097 541 3HG2 VAL 69 HG23 VAL 69 -4.657 -10.157 6.047 542 H GLU 70 HN GLU 70 -4.119 -5.167 7.406 543 HA GLU 70 HA GLU 70 -6.883 -5.324 8.403 544 1HB GLU 70 HB2 GLU 70 -4.736 -3.375 9.263 545 2HB GLU 70 HB1 GLU 70 -6.361 -3.494 9.918 546 1HG GLU 70 HG2 GLU 70 -5.889 -5.652 10.853 547 2HG GLU 70 HG1 GLU 70 -4.308 -5.686 10.073 548 H GLU 71 HN GLU 71 -7.806 -4.851 6.422 549 HA GLU 71 HA GLU 71 -7.059 -2.436 5.040 550 1HB GLU 71 HB2 GLU 71 -8.866 -2.964 3.483 551 2HB GLU 71 HB1 GLU 71 -7.833 -4.357 3.740 552 1HG GLU 71 HG2 GLU 71 -10.553 -3.929 4.965 553 2HG GLU 71 HG1 GLU 71 -10.188 -4.970 3.592 554 H LYS 72 HN LYS 72 -7.448 -0.617 6.092 555 HA LYS 72 HA LYS 72 -9.933 -0.394 7.633 556 1HB LYS 72 HB2 LYS 72 -7.558 0.074 8.585 557 2HB LYS 72 HB1 LYS 72 -7.685 1.597 7.718 558 1HG LYS 72 HG2 LYS 72 -9.584 2.255 8.995 559 2HG LYS 72 HG1 LYS 72 -9.710 0.657 9.733 560 1HD LYS 72 HD2 LYS 72 -7.439 1.028 10.719 561 2HD LYS 72 HD1 LYS 72 -7.516 2.687 10.122 562 1HE LYS 72 HE2 LYS 72 -9.506 3.094 11.464 563 2HE LYS 72 HE1 LYS 72 -9.483 1.425 12.029 564 1HZ LYS 72 HZ1 LYS 72 -8.523 2.903 13.668 565 2HZ LYS 72 HZ2 LYS 72 -7.383 3.466 12.543 566 3HZ LYS 72 HZ3 LYS 72 -7.330 1.854 13.070 567 H LEU 73 HN LEU 73 -11.517 0.303 6.425 568 HA LEU 73 HA LEU 73 -11.040 2.209 4.268 569 1HB LEU 73 HB2 LEU 73 -13.391 0.482 5.029 570 2HB LEU 73 HB1 LEU 73 -13.472 1.681 3.752 571 HG LEU 73 HG LEU 73 -11.434 -0.536 3.707 572 1HD1 LEU 73 HD11 LEU 73 -14.208 -0.554 2.517 573 2HD1 LEU 73 HD12 LEU 73 -13.647 -1.567 3.848 574 3HD1 LEU 73 HD13 LEU 73 -12.956 -1.765 2.237 575 1HD2 LEU 73 HD21 LEU 73 -12.669 1.174 1.553 576 2HD2 LEU 73 HD22 LEU 73 -11.427 -0.056 1.322 577 3HD2 LEU 73 HD23 LEU 73 -11.063 1.400 2.248 578 H THR 74 HN THR 74 -11.151 4.289 4.789 579 HA THR 74 HA THR 74 -13.399 5.156 6.494 580 HB THR 74 HB THR 74 -12.093 7.174 7.041 581 HG1 THR 74 HG1 THR 74 -10.772 7.097 5.106 582 1HG2 THR 74 HG21 THR 74 -10.416 6.123 8.486 583 2HG2 THR 74 HG22 THR 74 -10.597 4.613 7.594 584 3HG2 THR 74 HG23 THR 74 -11.946 5.247 8.536 585 H TYR 75 HN TYR 75 -14.963 6.070 5.331 586 HA TYR 75 HA TYR 75 -14.288 7.118 2.674 587 1HB TYR 75 HB2 TYR 75 -16.980 6.356 3.824 588 2HB TYR 75 HB1 TYR 75 -16.675 6.863 2.167 589 HD1 TYR 75 HD1 TYR 75 -15.352 5.392 0.658 590 HD2 TYR 75 HD2 TYR 75 -16.595 4.117 4.520 591 HE1 TYR 75 HE1 TYR 75 -14.946 3.056 0.012 592 HE2 TYR 75 HE2 TYR 75 -16.188 1.779 3.886 593 HH TYR 75 HH TYR 75 -14.465 0.894 1.122 594 H THR 76 HN THR 76 -14.577 9.206 2.149 595 HA THR 76 HA THR 76 -15.999 10.917 4.081 596 HB THR 76 HB THR 76 -14.660 12.815 3.246 597 HG1 THR 76 HG1 THR 76 -13.344 10.794 1.714 598 1HG2 THR 76 HG21 THR 76 -12.983 10.486 4.190 599 2HG2 THR 76 HG22 THR 76 -13.863 11.619 5.217 600 3HG2 THR 76 HG23 THR 76 -12.502 12.182 4.245 601 H ASP 77 HN ASP 77 -16.027 13.148 2.229 602 HA ASP 77 HA ASP 77 -18.236 12.269 0.535 603 1HB ASP 77 HB2 ASP 77 -18.755 14.620 0.311 604 2HB ASP 77 HB1 ASP 77 -18.448 14.283 2.015 605 H THR 78 HN THR 78 -14.922 13.214 0.321 606 HA THR 78 HA THR 78 -15.192 13.686 -2.570 607 HB THR 78 HB THR 78 -12.931 14.553 -0.756 608 HG1 THR 78 HG1 THR 78 -15.260 15.583 -0.744 609 1HG2 THR 78 HG21 THR 78 -12.266 15.958 -2.653 610 2HG2 THR 78 HG22 THR 78 -13.574 15.272 -3.618 611 3HG2 THR 78 HG23 THR 78 -12.244 14.246 -3.081 612 H TYR 79 HN TYR 79 -13.486 11.786 -0.141 613 HA TYR 79 HA TYR 79 -12.358 10.171 -2.296 614 1HB TYR 79 HB2 TYR 79 -10.125 10.176 -1.285 615 2HB TYR 79 HB1 TYR 79 -10.611 11.796 -1.766 616 HD1 TYR 79 HD1 TYR 79 -11.118 13.497 -0.067 617 HD2 TYR 79 HD2 TYR 79 -9.805 9.604 1.040 618 HE1 TYR 79 HE1 TYR 79 -10.612 14.316 2.197 619 HE2 TYR 79 HE2 TYR 79 -9.298 10.411 3.305 620 HH TYR 79 HH TYR 79 -10.378 13.387 4.487 621 H ALA 80 HN ALA 80 -11.701 8.086 -1.691 622 HA ALA 80 HA ALA 80 -12.732 7.169 0.910 623 1HB ALA 80 HB1 ALA 80 -12.267 5.585 -1.620 624 2HB ALA 80 HB2 ALA 80 -13.833 6.147 -1.035 625 3HB ALA 80 HB3 ALA 80 -12.920 4.955 -0.108 626 H GLN 81 HN GLN 81 -11.231 6.643 2.364 627 HA GLN 81 HA GLN 81 -8.460 6.393 1.443 628 1HB GLN 81 HB2 GLN 81 -9.156 8.106 3.187 629 2HB GLN 81 HB1 GLN 81 -9.462 6.763 4.270 630 1HG GLN 81 HG2 GLN 81 -6.782 7.055 2.999 631 2HG GLN 81 HG1 GLN 81 -7.218 8.061 4.375 632 1HE2 GLN 81 HE21 GLN 81 -8.864 5.964 5.597 633 2HE2 GLN 81 HE22 GLN 81 -7.749 4.807 6.240 634 H GLU 82 HN GLU 82 -8.020 4.336 0.962 635 HA GLU 82 HA GLU 82 -8.896 2.246 2.825 636 1HB GLU 82 HB2 GLU 82 -9.514 1.908 0.460 637 2HB GLU 82 HB1 GLU 82 -7.819 1.988 0.005 638 1HG GLU 82 HG2 GLU 82 -7.343 -0.043 1.186 639 2HG GLU 82 HG1 GLU 82 -8.970 -0.085 1.859 640 H ASN 83 HN ASN 83 -7.383 2.448 4.424 641 HA ASN 83 HA ASN 83 -4.554 2.352 3.739 642 1HB ASN 83 HB2 ASN 83 -5.302 3.783 5.620 643 2HB ASN 83 HB1 ASN 83 -5.888 2.351 6.460 644 1HD2 ASN 83 HD21 ASN 83 -2.923 2.508 4.580 645 2HD2 ASN 83 HD22 ASN 83 -1.847 2.299 5.917 646 H VAL 84 HN VAL 84 -3.837 0.428 3.116 647 HA VAL 84 HA VAL 84 -5.021 -1.970 4.343 648 HB VAL 84 HB VAL 84 -3.142 -1.823 1.978 649 1HG1 VAL 84 HG11 VAL 84 -4.858 -4.073 3.024 650 2HG1 VAL 84 HG12 VAL 84 -3.099 -3.978 3.108 651 3HG1 VAL 84 HG13 VAL 84 -3.902 -4.116 1.543 652 1HG2 VAL 84 HG21 VAL 84 -6.148 -2.084 2.030 653 2HG2 VAL 84 HG22 VAL 84 -5.130 -2.209 0.594 654 3HG2 VAL 84 HG23 VAL 84 -5.233 -0.683 1.472 655 H THR 85 HN THR 85 -4.039 -2.519 6.180 656 HA THR 85 HA THR 85 -1.166 -2.073 6.467 657 HB THR 85 HB THR 85 -3.109 -3.086 8.553 658 HG1 THR 85 HG1 THR 85 -3.828 -1.059 8.034 659 1HG2 THR 85 HG21 THR 85 -0.391 -1.787 8.793 660 2HG2 THR 85 HG22 THR 85 -0.745 -3.494 9.056 661 3HG2 THR 85 HG23 THR 85 -1.422 -2.278 10.138 662 H ILE 86 HN ILE 86 -0.022 -3.672 5.543 663 HA ILE 86 HA ILE 86 -1.000 -6.424 5.764 664 HB ILE 86 HB ILE 86 1.216 -5.325 4.027 665 1HG1 ILE 86 HG12 ILE 86 -1.616 -6.094 3.285 666 2HG1 ILE 86 HG11 ILE 86 -1.031 -4.441 3.443 667 1HG2 ILE 86 HG21 ILE 86 -0.156 -8.013 4.024 668 2HG2 ILE 86 HG22 ILE 86 1.503 -7.686 4.526 669 3HG2 ILE 86 HG23 ILE 86 1.033 -7.468 2.839 670 1HD1 ILE 86 HD11 ILE 86 -1.138 -5.127 1.117 671 2HD1 ILE 86 HD12 ILE 86 -0.050 -6.474 1.451 672 3HD1 ILE 86 HD13 ILE 86 0.527 -4.815 1.607 673 H ASP 87 HN ASP 87 -0.270 -7.432 7.539 674 HA ASP 87 HA ASP 87 2.408 -7.074 8.538 675 1HB ASP 87 HB2 ASP 87 0.647 -7.706 10.099 676 2HB ASP 87 HB1 ASP 87 0.300 -9.159 9.164 677 H MET 88 HN MET 88 4.149 -7.922 7.581 678 HA MET 88 HA MET 88 3.726 -9.912 5.501 679 1HB MET 88 HB2 MET 88 6.059 -8.153 6.205 680 2HB MET 88 HB1 MET 88 6.188 -9.445 5.020 681 1HG MET 88 HG2 MET 88 4.250 -8.360 3.819 682 2HG MET 88 HG1 MET 88 4.470 -6.989 4.904 683 1HE MET 88 HE1 MET 88 4.588 -5.756 2.419 684 2HE MET 88 HE2 MET 88 4.737 -7.269 1.520 685 3HE MET 88 HE3 MET 88 5.937 -5.992 1.307 686 H GLU 89 HN GLU 89 4.018 -10.330 8.619 687 HA GLU 89 HA GLU 89 6.041 -12.434 8.469 688 1HB GLU 89 HB2 GLU 89 4.436 -11.371 10.797 689 2HB GLU 89 HB1 GLU 89 5.551 -12.725 10.914 690 1HG GLU 89 HG2 GLU 89 7.332 -11.152 10.046 691 2HG GLU 89 HG1 GLU 89 6.174 -9.850 10.325 692 H LYS 90 HN LYS 90 2.600 -11.959 9.018 693 HA LYS 90 HA LYS 90 2.179 -14.848 9.107 694 1HB LYS 90 HB2 LYS 90 1.108 -13.328 10.770 695 2HB LYS 90 HB1 LYS 90 0.188 -12.600 9.462 696 1HG LYS 90 HG2 LYS 90 -0.918 -14.723 9.033 697 2HG LYS 90 HG1 LYS 90 0.035 -15.489 10.308 698 1HD LYS 90 HD2 LYS 90 -0.962 -13.980 11.956 699 2HD LYS 90 HD1 LYS 90 -1.911 -13.214 10.681 700 1HE LYS 90 HE2 LYS 90 -3.082 -15.286 10.257 701 2HE LYS 90 HE1 LYS 90 -2.074 -16.130 11.431 702 1HZ LYS 90 HZ1 LYS 90 -4.245 -15.550 12.335 703 2HZ LYS 90 HZ2 LYS 90 -3.939 -13.903 12.062 704 3HZ LYS 90 HZ3 LYS 90 -3.002 -14.766 13.180 705 H VAL 91 HN VAL 91 2.491 -12.653 6.700 706 HA VAL 91 HA VAL 91 0.274 -12.761 5.082 707 HB VAL 91 HB VAL 91 1.962 -12.795 3.103 708 1HG1 VAL 91 HG11 VAL 91 0.768 -10.827 3.802 709 2HG1 VAL 91 HG12 VAL 91 2.451 -10.416 3.466 710 3HG1 VAL 91 HG13 VAL 91 1.897 -10.576 5.135 711 1HG2 VAL 91 HG21 VAL 91 3.852 -13.693 4.322 712 2HG2 VAL 91 HG22 VAL 91 3.815 -12.323 5.431 713 3HG2 VAL 91 HG23 VAL 91 4.218 -12.072 3.732 714 H ASP 92 HN ASP 92 -0.651 -14.101 3.703 715 HA ASP 92 HA ASP 92 0.628 -16.716 3.274 716 1HB ASP 92 HB2 ASP 92 -1.601 -16.614 4.571 717 2HB ASP 92 HB1 ASP 92 -2.332 -16.210 3.019 718 H PHE 93 HN PHE 93 1.666 -16.415 1.396 719 HA PHE 93 HA PHE 93 0.955 -14.490 -0.506 720 1HB PHE 93 HB2 PHE 93 2.850 -16.816 -0.560 721 2HB PHE 93 HB1 PHE 93 2.595 -15.832 -1.996 722 HD1 PHE 93 HD1 PHE 93 3.594 -13.705 -2.214 723 HD2 PHE 93 HD2 PHE 93 3.755 -15.759 1.511 724 HE1 PHE 93 HE1 PHE 93 5.245 -12.071 -1.389 725 HE2 PHE 93 HE2 PHE 93 5.402 -14.130 2.340 726 HZ PHE 93 HZ PHE 93 6.147 -12.286 0.891 727 H LYS 94 HN LYS 94 0.223 -17.952 -0.389 728 HA LYS 94 HA LYS 94 -0.724 -18.157 -3.037 729 1HB LYS 94 HB2 LYS 94 -1.777 -20.240 -2.356 730 2HB LYS 94 HB1 LYS 94 -0.157 -20.128 -1.689 731 1HG LYS 94 HG2 LYS 94 -1.045 -19.562 0.481 732 2HG LYS 94 HG1 LYS 94 -2.686 -19.526 -0.169 733 1HD LYS 94 HD2 LYS 94 -2.487 -21.914 -0.742 734 2HD LYS 94 HD1 LYS 94 -0.870 -21.934 -0.035 735 1HE LYS 94 HE2 LYS 94 -3.416 -21.268 1.441 736 2HE LYS 94 HE1 LYS 94 -2.583 -22.820 1.499 737 1HZ LYS 94 HZ1 LYS 94 -1.997 -21.509 3.411 738 2HZ LYS 94 HZ2 LYS 94 -1.523 -20.207 2.440 739 3HZ LYS 94 HZ3 LYS 94 -0.635 -21.652 2.411 740 H ALA 95 HN ALA 95 -2.233 -16.985 -0.118 741 HA ALA 95 HA ALA 95 -4.880 -16.949 -1.278 742 1HB ALA 95 HB1 ALA 95 -5.544 -15.829 0.793 743 2HB ALA 95 HB2 ALA 95 -3.851 -15.701 1.270 744 3HB ALA 95 HB3 ALA 95 -4.608 -17.287 1.125 745 H LEU 96 HN LEU 96 -2.268 -14.676 -0.623 746 HA LEU 96 HA LEU 96 -3.674 -12.336 -1.402 747 1HB LEU 96 HB2 LEU 96 -1.167 -12.941 -0.325 748 2HB LEU 96 HB1 LEU 96 -0.818 -12.190 -1.870 749 HG LEU 96 HG LEU 96 -2.359 -10.994 0.431 750 1HD1 LEU 96 HD11 LEU 96 -0.575 -9.325 0.382 751 2HD1 LEU 96 HD12 LEU 96 0.216 -10.212 -0.921 752 3HD1 LEU 96 HD13 LEU 96 0.055 -10.945 0.676 753 1HD2 LEU 96 HD21 LEU 96 -1.895 -9.847 -2.320 754 2HD2 LEU 96 HD22 LEU 96 -2.602 -8.992 -0.949 755 3HD2 LEU 96 HD23 LEU 96 -3.445 -10.368 -1.658 756 H GLN 97 HN GLN 97 -2.066 -14.843 -3.152 757 HA GLN 97 HA GLN 97 -1.428 -13.535 -5.530 758 1HB GLN 97 HB2 GLN 97 -0.716 -15.834 -4.989 759 2HB GLN 97 HB1 GLN 97 -2.373 -16.389 -5.182 760 1HG GLN 97 HG2 GLN 97 -1.036 -16.903 -7.143 761 2HG GLN 97 HG1 GLN 97 -2.327 -15.769 -7.533 762 1HE2 GLN 97 HE21 GLN 97 -1.305 -14.966 -9.335 763 2HE2 GLN 97 HE22 GLN 97 0.095 -13.961 -9.249 764 H GLY 98 HN GLY 98 -4.510 -14.568 -4.277 765 1HA GLY 98 HA2 GLY 98 -5.888 -14.394 -6.802 766 2HA GLY 98 HA1 GLY 98 -6.627 -14.587 -5.221 767 H ILE 99 HN ILE 99 -4.589 -12.036 -4.920 768 HA ILE 99 HA ILE 99 -6.562 -10.058 -5.869 769 HB ILE 99 HB ILE 99 -5.047 -9.602 -3.317 770 1HG1 ILE 99 HG12 ILE 99 -7.749 -10.957 -3.468 771 2HG1 ILE 99 HG11 ILE 99 -6.240 -11.791 -3.106 772 1HG2 ILE 99 HG21 ILE 99 -6.218 -7.727 -4.360 773 2HG2 ILE 99 HG22 ILE 99 -6.962 -8.156 -2.819 774 3HG2 ILE 99 HG23 ILE 99 -7.726 -8.642 -4.332 775 1HD1 ILE 99 HD11 ILE 99 -5.962 -10.430 -1.112 776 2HD1 ILE 99 HD12 ILE 99 -7.493 -11.304 -1.091 777 3HD1 ILE 99 HD13 ILE 99 -7.465 -9.583 -1.478 778 H SER 100 HN SER 100 -3.781 -11.149 -6.653 779 HA SER 100 HA SER 100 -1.958 -9.022 -6.101 780 1HB SER 100 HB2 SER 100 -0.472 -10.276 -7.719 781 2HB SER 100 HB1 SER 100 -1.031 -11.204 -6.325 782 HG SER 100 HG SER 100 -2.220 -12.437 -7.596 783 H GLY 101 HN GLY 101 -2.877 -7.145 -6.895 784 1HA GLY 101 HA2 GLY 101 -3.287 -6.947 -9.788 785 2HA GLY 101 HA1 GLY 101 -3.717 -5.730 -8.593 786 H ILE 102 HN ILE 102 -0.608 -7.253 -8.515 787 HA ILE 102 HA ILE 102 0.696 -4.705 -8.834 788 HB ILE 102 HB ILE 102 1.999 -7.424 -8.591 789 1HG1 ILE 102 HG12 ILE 102 1.271 -5.464 -6.400 790 2HG1 ILE 102 HG11 ILE 102 0.461 -6.996 -6.702 791 1HG2 ILE 102 HG21 ILE 102 3.912 -6.130 -7.734 792 2HG2 ILE 102 HG22 ILE 102 3.027 -4.637 -8.049 793 3HG2 ILE 102 HG23 ILE 102 3.495 -5.685 -9.388 794 1HD1 ILE 102 HD11 ILE 102 2.523 -8.190 -6.180 795 2HD1 ILE 102 HD12 ILE 102 2.013 -7.163 -4.841 796 3HD1 ILE 102 HD13 ILE 102 3.338 -6.655 -5.888 797 H ASN 103 HN ASN 103 0.201 -4.157 -10.978 798 HA ASN 103 HA ASN 103 1.014 -5.954 -13.111 799 1HB ASN 103 HB2 ASN 103 -1.113 -4.431 -13.019 800 2HB ASN 103 HB1 ASN 103 -0.011 -3.167 -13.555 801 1HD2 ASN 103 HD21 ASN 103 -2.303 -4.430 -14.888 802 2HD2 ASN 103 HD22 ASN 103 -1.696 -5.042 -16.392 803 H VAL 104 HN VAL 104 2.992 -4.785 -11.335 804 HA VAL 104 HA VAL 104 4.612 -3.286 -13.270 805 HB VAL 104 HB VAL 104 5.152 -3.720 -10.323 806 1HG1 VAL 104 HG11 VAL 104 7.189 -3.401 -11.615 807 2HG1 VAL 104 HG12 VAL 104 6.864 -1.985 -10.614 808 3HG1 VAL 104 HG13 VAL 104 6.518 -1.941 -12.343 809 1HG2 VAL 104 HG21 VAL 104 4.111 -1.271 -11.746 810 2HG2 VAL 104 HG22 VAL 104 4.555 -1.362 -10.041 811 3HG2 VAL 104 HG23 VAL 104 3.195 -2.305 -10.651 812 H SER 105 HN SER 105 5.319 -5.573 -10.692 813 HA SER 105 HA SER 105 6.103 -7.602 -12.594 814 1HB SER 105 HB2 SER 105 8.057 -6.520 -10.540 815 2HB SER 105 HB1 SER 105 8.312 -7.971 -11.513 816 HG SER 105 HG SER 105 7.628 -5.906 -13.096 817 H ALA 106 HN ALA 106 4.425 -8.840 -11.822 818 HA ALA 106 HA ALA 106 3.840 -9.190 -9.070 819 1HB ALA 106 HB1 ALA 106 2.361 -10.985 -9.804 820 2HB ALA 106 HB2 ALA 106 3.102 -10.955 -11.404 821 3HB ALA 106 HB3 ALA 106 2.180 -9.564 -10.833 822 H GLU 107 HN GLU 107 6.033 -10.684 -11.260 823 HA GLU 107 HA GLU 107 6.534 -13.083 -9.880 824 1HB GLU 107 HB2 GLU 107 8.135 -11.460 -11.841 825 2HB GLU 107 HB1 GLU 107 8.771 -12.937 -11.138 826 1HG GLU 107 HG2 GLU 107 7.782 -13.286 -13.352 827 2HG GLU 107 HG1 GLU 107 6.985 -14.226 -12.095 828 H ASP 108 HN ASP 108 7.311 -9.875 -9.039 829 HA ASP 108 HA ASP 108 9.787 -10.361 -7.717 830 1HB ASP 108 HB2 ASP 108 9.016 -8.098 -8.459 831 2HB ASP 108 HB1 ASP 108 7.803 -8.135 -7.184 832 H ALA 109 HN ALA 109 6.414 -10.218 -6.696 833 HA ALA 109 HA ALA 109 6.901 -10.757 -3.949 834 1HB ALA 109 HB1 ALA 109 4.505 -11.207 -3.813 835 2HB ALA 109 HB2 ALA 109 4.402 -11.226 -5.574 836 3HB ALA 109 HB3 ALA 109 4.820 -9.735 -4.732 837 H LYS 110 HN LYS 110 6.583 -12.719 -6.791 838 HA LYS 110 HA LYS 110 6.256 -15.222 -5.419 839 1HB LYS 110 HB2 LYS 110 7.206 -14.717 -8.248 840 2HB LYS 110 HB1 LYS 110 6.573 -16.227 -7.609 841 1HG LYS 110 HG2 LYS 110 4.385 -15.276 -7.366 842 2HG LYS 110 HG1 LYS 110 4.985 -13.678 -7.813 843 1HD LYS 110 HD2 LYS 110 5.602 -14.581 -10.037 844 2HD LYS 110 HD1 LYS 110 4.881 -16.125 -9.577 845 1HE LYS 110 HE2 LYS 110 2.716 -15.056 -9.306 846 2HE LYS 110 HE1 LYS 110 3.423 -13.487 -9.690 847 1HZ LYS 110 HZ1 LYS 110 3.301 -15.818 -11.534 848 2HZ LYS 110 HZ2 LYS 110 3.945 -14.288 -11.905 849 3HZ LYS 110 HZ3 LYS 110 2.287 -14.460 -11.594 850 H LYS 111 HN LYS 111 8.811 -13.128 -6.122 851 HA LYS 111 HA LYS 111 10.901 -15.145 -5.995 852 1HB LYS 111 HB2 LYS 111 11.192 -13.411 -7.619 853 2HB LYS 111 HB1 LYS 111 10.879 -12.159 -6.431 854 1HG LYS 111 HG2 LYS 111 12.996 -12.862 -5.280 855 2HG LYS 111 HG1 LYS 111 13.320 -13.898 -6.675 856 1HD LYS 111 HD2 LYS 111 14.419 -11.656 -6.799 857 2HD LYS 111 HD1 LYS 111 13.337 -12.003 -8.155 858 1HE LYS 111 HE2 LYS 111 11.556 -10.731 -7.013 859 2HE LYS 111 HE1 LYS 111 12.691 -10.334 -5.726 860 1HZ LYS 111 HZ1 LYS 111 14.003 -9.075 -7.246 861 2HZ LYS 111 HZ2 LYS 111 12.392 -8.566 -7.401 862 3HZ LYS 111 HZ3 LYS 111 13.079 -9.588 -8.575 863 H GLY 112 HN GLY 112 9.522 -12.535 -4.068 864 1HA GLY 112 HA2 GLY 112 9.617 -13.101 -1.608 865 2HA GLY 112 HA1 GLY 112 11.347 -13.280 -1.867 866 H ILE 113 HN ILE 113 8.844 -11.149 -1.090 867 HA ILE 113 HA ILE 113 9.911 -8.696 -1.978 868 HB ILE 113 HB ILE 113 8.101 -9.210 0.386 869 1HG1 ILE 113 HG12 ILE 113 7.137 -10.032 -1.706 870 2HG1 ILE 113 HG11 ILE 113 6.279 -8.597 -1.161 871 1HG2 ILE 113 HG21 ILE 113 9.181 -7.028 0.517 872 2HG2 ILE 113 HG22 ILE 113 7.462 -6.859 0.165 873 3HG2 ILE 113 HG23 ILE 113 8.649 -6.656 -1.123 874 1HD1 ILE 113 HD11 ILE 113 6.626 -8.572 -3.566 875 2HD1 ILE 113 HD12 ILE 113 8.369 -8.683 -3.327 876 3HD1 ILE 113 HD13 ILE 113 7.497 -7.250 -2.789 877 H THR 114 HN THR 114 11.842 -8.008 -1.458 878 HA THR 114 HA THR 114 12.641 -8.003 1.367 879 HB THR 114 HB THR 114 15.043 -8.000 0.083 880 HG1 THR 114 HG1 THR 114 13.298 -9.750 -1.361 881 1HG2 THR 114 HG21 THR 114 15.242 -10.343 0.779 882 2HG2 THR 114 HG22 THR 114 13.491 -10.438 0.971 883 3HG2 THR 114 HG23 THR 114 14.437 -9.379 2.017 884 H MET 115 HN MET 115 14.726 -6.413 1.456 885 HA MET 115 HA MET 115 13.620 -3.856 1.205 886 1HB MET 115 HB2 MET 115 15.676 -4.851 2.585 887 2HB MET 115 HB1 MET 115 16.585 -4.163 1.252 888 1HG MET 115 HG2 MET 115 14.714 -2.662 3.071 889 2HG MET 115 HG1 MET 115 16.469 -2.655 3.162 890 1HE MET 115 HE1 MET 115 13.511 -0.708 2.141 891 2HE MET 115 HE2 MET 115 13.413 -1.823 0.778 892 3HE MET 115 HE3 MET 115 13.801 -0.125 0.501 893 H ALA 116 HN ALA 116 16.308 -5.280 -0.674 894 HA ALA 116 HA ALA 116 16.601 -3.115 -2.447 895 1HB ALA 116 HB1 ALA 116 18.323 -4.825 -2.107 896 2HB ALA 116 HB2 ALA 116 17.928 -4.632 -3.815 897 3HB ALA 116 HB3 ALA 116 17.303 -6.013 -2.913 898 H GLN 117 HN GLN 117 14.525 -5.933 -2.557 899 HA GLN 117 HA GLN 117 13.634 -5.784 -5.207 900 1HB GLN 117 HB2 GLN 117 12.626 -6.934 -2.669 901 2HB GLN 117 HB1 GLN 117 11.439 -6.694 -3.943 902 1HG GLN 117 HG2 GLN 117 12.670 -8.954 -3.740 903 2HG GLN 117 HG1 GLN 117 12.407 -8.242 -5.328 904 1HE2 GLN 117 HE21 GLN 117 14.757 -8.971 -2.858 905 2HE2 GLN 117 HE22 GLN 117 16.155 -8.744 -3.857 906 H MET 118 HN MET 118 11.850 -4.643 -2.347 907 HA MET 118 HA MET 118 9.977 -3.069 -3.575 908 1HB MET 118 HB2 MET 118 11.388 -2.612 -0.945 909 2HB MET 118 HB1 MET 118 9.973 -1.710 -1.460 910 1HG MET 118 HG2 MET 118 9.981 -4.700 -1.211 911 2HG MET 118 HG1 MET 118 9.599 -3.635 0.136 912 1HE MET 118 HE1 MET 118 7.013 -4.292 -3.633 913 2HE MET 118 HE2 MET 118 8.356 -5.318 -3.126 914 3HE MET 118 HE3 MET 118 8.670 -3.699 -3.748 915 H GLU 119 HN GLU 119 13.318 -2.251 -2.829 916 HA GLU 119 HA GLU 119 13.131 0.520 -3.354 917 1HB GLU 119 HB2 GLU 119 14.953 -0.709 -2.089 918 2HB GLU 119 HB1 GLU 119 15.573 -1.254 -3.637 919 1HG GLU 119 HG2 GLU 119 15.231 1.656 -3.113 920 2HG GLU 119 HG1 GLU 119 16.615 0.800 -2.452 921 H LEU 120 HN LEU 120 14.645 -2.020 -5.378 922 HA LEU 120 HA LEU 120 14.951 -0.317 -7.619 923 1HB LEU 120 HB2 LEU 120 16.166 -2.516 -7.025 924 2HB LEU 120 HB1 LEU 120 14.795 -3.320 -7.759 925 HG LEU 120 HG LEU 120 16.492 -1.318 -9.251 926 1HD1 LEU 120 HD11 LEU 120 17.643 -3.235 -10.234 927 2HD1 LEU 120 HD12 LEU 120 16.769 -4.318 -9.151 928 3HD1 LEU 120 HD13 LEU 120 17.910 -3.145 -8.493 929 1HD2 LEU 120 HD21 LEU 120 14.284 -1.757 -10.211 930 2HD2 LEU 120 HD22 LEU 120 14.617 -3.489 -10.194 931 3HD2 LEU 120 HD23 LEU 120 15.565 -2.420 -11.227 932 H VAL 121 HN VAL 121 12.506 -2.666 -6.702 933 HA VAL 121 HA VAL 121 11.124 -2.707 -9.162 934 HB VAL 121 HB VAL 121 10.698 -3.747 -6.430 935 1HG1 VAL 121 HG11 VAL 121 8.531 -2.718 -6.794 936 2HG1 VAL 121 HG12 VAL 121 8.425 -4.476 -6.869 937 3HG1 VAL 121 HG13 VAL 121 8.398 -3.525 -8.360 938 1HG2 VAL 121 HG21 VAL 121 10.406 -4.901 -9.196 939 2HG2 VAL 121 HG22 VAL 121 10.267 -5.810 -7.692 940 3HG2 VAL 121 HG23 VAL 121 11.803 -5.058 -8.131 941 H MET 122 HN MET 122 10.703 -0.723 -6.247 942 HA MET 122 HA MET 122 8.322 0.513 -7.270 943 1HB MET 122 HB2 MET 122 10.094 1.037 -4.911 944 2HB MET 122 HB1 MET 122 8.848 2.191 -5.357 945 1HG MET 122 HG2 MET 122 8.508 -0.682 -4.548 946 2HG MET 122 HG1 MET 122 7.910 0.757 -3.721 947 1HE MET 122 HE1 MET 122 6.372 -2.040 -4.835 948 2HE MET 122 HE2 MET 122 4.801 -1.351 -5.247 949 3HE MET 122 HE3 MET 122 5.594 -0.901 -3.735 950 H LYS 123 HN LYS 123 11.737 1.180 -7.352 951 HA LYS 123 HA LYS 123 11.627 3.746 -8.522 952 1HB LYS 123 HB2 LYS 123 13.663 2.550 -7.587 953 2HB LYS 123 HB1 LYS 123 13.683 1.583 -9.049 954 1HG LYS 123 HG2 LYS 123 13.880 4.582 -9.088 955 2HG LYS 123 HG1 LYS 123 15.288 3.532 -8.941 956 1HD LYS 123 HD2 LYS 123 13.318 3.600 -11.228 957 2HD LYS 123 HD1 LYS 123 14.980 4.192 -11.251 958 1HE LYS 123 HE2 LYS 123 15.805 1.928 -10.894 959 2HE LYS 123 HE1 LYS 123 14.148 1.324 -10.815 960 1HZ LYS 123 HZ1 LYS 123 15.547 2.468 -13.168 961 2HZ LYS 123 HZ2 LYS 123 13.873 2.218 -13.126 962 3HZ LYS 123 HZ3 LYS 123 14.928 0.899 -12.987 963 H ALA 124 HN ALA 124 11.431 0.483 -9.799 964 HA ALA 124 HA ALA 124 11.583 1.007 -12.536 965 1HB ALA 124 HB1 ALA 124 11.794 -1.230 -11.728 966 2HB ALA 124 HB2 ALA 124 10.377 -1.176 -12.776 967 3HB ALA 124 HB3 ALA 124 10.178 -1.188 -11.027 968 H ALA 125 HN ALA 125 8.785 1.040 -10.360 969 HA ALA 125 HA ALA 125 6.874 1.422 -12.448 970 1HB ALA 125 HB1 ALA 125 6.646 1.903 -9.478 971 2HB ALA 125 HB2 ALA 125 6.171 0.447 -10.350 972 3HB ALA 125 HB3 ALA 125 5.300 1.961 -10.619 973 H GLY 126 HN GLY 126 9.060 3.497 -10.839 974 1HA GLY 126 HA2 GLY 126 9.535 5.712 -11.345 975 2HA GLY 126 HA1 GLY 126 8.107 5.753 -12.370 976 H PHE 127 HN PHE 127 7.970 4.679 -9.063 977 HA PHE 127 HA PHE 127 6.073 6.751 -8.438 978 1HB PHE 127 HB2 PHE 127 7.236 4.509 -6.780 979 2HB PHE 127 HB1 PHE 127 6.042 5.649 -6.176 980 HD1 PHE 127 HD1 PHE 127 4.291 5.885 -8.565 981 HD2 PHE 127 HD2 PHE 127 6.091 2.482 -6.754 982 HE1 PHE 127 HE1 PHE 127 2.474 4.470 -9.429 983 HE2 PHE 127 HE2 PHE 127 4.278 1.060 -7.618 984 HZ PHE 127 HZ PHE 127 2.467 2.053 -8.957 985 H LYS 128 HN LYS 128 6.297 8.111 -6.511 986 HA LYS 128 HA LYS 128 8.956 9.288 -6.466 987 1HB LYS 128 HB2 LYS 128 6.295 10.252 -5.404 988 2HB LYS 128 HB1 LYS 128 7.800 11.147 -5.242 989 1HG LYS 128 HG2 LYS 128 6.684 10.302 -7.902 990 2HG LYS 128 HG1 LYS 128 6.299 11.846 -7.138 991 1HD LYS 128 HD2 LYS 128 8.577 12.538 -7.202 992 2HD LYS 128 HD1 LYS 128 9.116 10.926 -7.674 993 1HE LYS 128 HE2 LYS 128 7.294 12.626 -9.363 994 2HE LYS 128 HE1 LYS 128 9.050 12.642 -9.516 995 1HZ LYS 128 HZ1 LYS 128 8.266 11.141 -11.122 996 2HZ LYS 128 HZ2 LYS 128 7.202 10.391 -10.043 997 3HZ LYS 128 HZ3 LYS 128 8.872 10.168 -9.870 998 H GLU 129 HN GLU 129 10.336 9.007 -4.866 999 HA GLU 129 HA GLU 129 9.645 7.320 -2.648 1000 1HB GLU 129 HB2 GLU 129 11.801 7.017 -3.682 1001 2HB GLU 129 HB1 GLU 129 12.215 8.707 -3.423 1002 1HG GLU 129 HG2 GLU 129 12.093 8.288 -0.971 1003 2HG GLU 129 HG1 GLU 129 11.875 6.575 -1.328 1004 H VAL 130 HN VAL 130 9.201 7.886 -0.619 1005 HA VAL 130 HA VAL 130 9.662 10.684 0.177 1006 HB VAL 130 HB VAL 130 7.518 8.810 1.204 1007 1HG1 VAL 130 HG11 VAL 130 8.298 10.360 2.910 1008 2HG1 VAL 130 HG12 VAL 130 6.671 10.792 2.380 1009 3HG1 VAL 130 HG13 VAL 130 8.060 11.715 1.808 1010 1HG2 VAL 130 HG21 VAL 130 5.943 10.321 0.078 1011 2HG2 VAL 130 HG22 VAL 130 7.034 9.536 -1.064 1012 3HG2 VAL 130 HG23 VAL 130 7.302 11.216 -0.602 1013 H LYS 131 HN LYS 131 11.323 10.813 1.514 1014 HA LYS 131 HA LYS 131 12.026 8.470 3.119 1015 1HB LYS 131 HB2 LYS 131 14.232 9.662 3.385 1016 2HB LYS 131 HB1 LYS 131 13.833 9.174 1.745 1017 1HG LYS 131 HG2 LYS 131 12.841 11.667 1.723 1018 2HG LYS 131 HG1 LYS 131 14.138 11.867 2.902 1019 1HD LYS 131 HD2 LYS 131 14.989 12.373 0.705 1020 2HD LYS 131 HD1 LYS 131 15.713 10.862 1.263 1021 1HE LYS 131 HE2 LYS 131 14.084 9.597 -0.058 1022 2HE LYS 131 HE1 LYS 131 13.360 11.104 -0.612 1023 1HZ LYS 131 HZ1 LYS 131 16.142 10.212 -1.157 1024 2HZ LYS 131 HZ2 LYS 131 15.457 11.670 -1.683 1025 3HZ LYS 131 HZ3 LYS 131 14.857 10.192 -2.260 1026 H LEU 132 HN LEU 132 11.560 8.430 5.183 1027 HA LEU 132 HA LEU 132 10.693 10.880 6.497 1028 1HB LEU 132 HB2 LEU 132 10.485 7.983 7.318 1029 2HB LEU 132 HB1 LEU 132 9.945 9.317 8.316 1030 HG LEU 132 HG LEU 132 8.415 9.941 6.350 1031 1HD1 LEU 132 HD11 LEU 132 9.465 8.540 4.656 1032 2HD1 LEU 132 HD12 LEU 132 7.773 8.097 4.887 1033 3HD1 LEU 132 HD13 LEU 132 9.049 7.097 5.580 1034 1HD2 LEU 132 HD21 LEU 132 7.613 9.012 8.451 1035 2HD2 LEU 132 HD22 LEU 132 7.944 7.381 7.868 1036 3HD2 LEU 132 HD23 LEU 132 6.705 8.363 7.086 1037 H GLU 133 HN GLU 133 13.517 9.232 6.148 1038 HA GLU 133 HA GLU 133 14.552 9.657 8.811 1039 1HB GLU 133 HB2 GLU 133 15.423 7.763 7.622 1040 2HB GLU 133 HB1 GLU 133 15.828 8.747 6.226 1041 1HG GLU 133 HG2 GLU 133 17.803 8.114 7.506 1042 2HG GLU 133 HG1 GLU 133 17.574 9.860 7.472 1043 H HIS 134 HN HIS 134 14.497 11.783 9.274 1044 HA HIS 134 HA HIS 134 16.491 13.456 8.076 1045 1HB HIS 134 HB2 HIS 134 14.568 13.755 6.515 1046 2HB HIS 134 HB1 HIS 134 13.600 14.330 7.866 1047 HD1 HIS 134 HD1 HIS 134 13.803 16.763 8.480 1048 HD2 HIS 134 HD2 HIS 134 16.724 15.523 5.785 1049 HE1 HIS 134 HE1 HIS 134 14.962 18.862 7.715 1050 HE2 HIS 134 HE2 HIS 134 16.569 18.102 5.930 1051 H HIS 135 HN HIS 135 17.364 13.609 10.095 1052 HA HIS 135 HA HIS 135 15.742 15.059 12.093 1053 1HB HIS 135 HB2 HIS 135 17.976 13.064 12.559 1054 2HB HIS 135 HB1 HIS 135 17.215 14.022 13.824 1055 HD1 HIS 135 HD1 HIS 135 14.789 13.366 14.519 1056 HD2 HIS 135 HD2 HIS 135 16.502 10.877 11.660 1057 HE1 HIS 135 HE1 HIS 135 13.312 11.339 14.410 1058 HE2 HIS 135 HE2 HIS 135 14.220 9.991 12.491 1059 H HIS 136 HN HIS 136 17.548 16.024 13.782 1060 HA HIS 136 HA HIS 136 18.867 18.026 12.174 1061 1HB HIS 136 HB2 HIS 136 17.693 18.509 14.360 1062 2HB HIS 136 HB1 HIS 136 19.012 17.679 15.176 1063 HD1 HIS 136 HD1 HIS 136 17.989 20.928 14.779 1064 HD2 HIS 136 HD2 HIS 136 21.613 19.050 13.960 1065 HE1 HIS 136 HE1 HIS 136 19.709 22.759 14.728 1066 HE2 HIS 136 HE2 HIS 136 21.879 21.622 14.142 1067 H HIS 137 HN HIS 137 20.638 17.317 11.146 1068 HA HIS 137 HA HIS 137 22.868 16.447 12.814 1069 1HB HIS 137 HB2 HIS 137 21.594 14.822 10.702 1070 2HB HIS 137 HB1 HIS 137 23.353 14.905 10.637 1071 HD1 HIS 137 HD1 HIS 137 24.672 13.752 12.504 1072 HD2 HIS 137 HD2 HIS 137 20.544 13.471 12.942 1073 HE1 HIS 137 HE1 HIS 137 24.293 12.033 14.303 1074 HE2 HIS 137 HE2 HIS 137 21.796 11.996 14.663 1075 H HIS 138 HN HIS 138 24.928 16.404 11.494 1076 HA HIS 138 HA HIS 138 24.965 18.760 9.728 1077 1HB HIS 138 HB2 HIS 138 27.019 17.578 11.586 1078 2HB HIS 138 HB1 HIS 138 27.484 18.677 10.296 1079 HD1 HIS 138 HD1 HIS 138 25.349 18.604 13.429 1080 HD2 HIS 138 HD2 HIS 138 27.219 21.316 10.891 1081 HE1 HIS 138 HE1 HIS 138 25.144 20.844 14.553 1082 HE2 HIS 138 HE2 HIS 138 26.536 22.395 13.135 1083 H HIS 139 HN HIS 139 26.301 18.702 7.860 1084 HA HIS 139 HA HIS 139 26.648 16.006 6.795 1085 1HB HIS 139 HB2 HIS 139 26.915 17.069 4.589 1086 2HB HIS 139 HB1 HIS 139 25.404 17.535 5.354 1087 HD1 HIS 139 HD1 HIS 139 28.545 18.902 3.974 1088 HD2 HIS 139 HD2 HIS 139 25.333 20.267 6.231 1089 HE1 HIS 139 HE1 HIS 139 28.663 21.411 3.872 1090 HE2 HIS 139 HE2 HIS 139 26.856 22.205 5.435 Start of MODEL 18 1 1H MET 1 HT1 MET 1 25.440 0.625 13.577 2 2H MET 1 HT2 MET 1 26.245 -0.634 12.775 3 3H MET 1 HT3 MET 1 25.157 -0.983 14.027 4 HA MET 1 HA MET 1 24.444 0.275 11.450 5 1HB MET 1 HB2 MET 1 25.068 -2.067 11.139 6 2HB MET 1 HB1 MET 1 24.012 -2.547 12.459 7 1HG MET 1 HG2 MET 1 23.041 -3.020 10.266 8 2HG MET 1 HG1 MET 1 22.067 -1.884 11.197 9 1HE MET 1 HE1 MET 1 21.665 -2.329 8.081 10 2HE MET 1 HE2 MET 1 21.498 -0.664 7.524 11 3HE MET 1 HE3 MET 1 20.726 -1.172 9.026 12 H GLY 2 HN GLY 2 22.321 0.890 11.252 13 1HA GLY 2 HA2 GLY 2 20.893 1.338 13.720 14 2HA GLY 2 HA1 GLY 2 20.394 1.851 12.113 15 H ASP 3 HN ASP 3 20.777 -1.079 14.083 16 HA ASP 3 HA ASP 3 18.879 -2.553 12.505 17 1HB ASP 3 HB2 ASP 3 20.216 -3.180 15.143 18 2HB ASP 3 HB1 ASP 3 19.124 -4.283 14.314 19 H LYS 4 HN LYS 4 17.188 -0.922 12.716 20 HA LYS 4 HA LYS 4 15.445 -1.614 14.943 21 1HB LYS 4 HB2 LYS 4 14.846 0.750 15.332 22 2HB LYS 4 HB1 LYS 4 16.523 0.410 15.728 23 1HG LYS 4 HG2 LYS 4 17.107 1.327 13.438 24 2HG LYS 4 HG1 LYS 4 15.441 1.907 13.359 25 1HD LYS 4 HD2 LYS 4 15.775 3.189 15.404 26 2HD LYS 4 HD1 LYS 4 17.426 2.582 15.531 27 1HE LYS 4 HE2 LYS 4 17.666 4.711 14.604 28 2HE LYS 4 HE1 LYS 4 17.788 3.625 13.222 29 1HZ LYS 4 HZ1 LYS 4 16.362 5.611 12.870 30 2HZ LYS 4 HZ2 LYS 4 15.281 4.993 14.017 31 3HZ LYS 4 HZ3 LYS 4 15.570 4.142 12.577 32 H GLU 5 HN GLU 5 13.204 -0.931 14.542 33 HA GLU 5 HA GLU 5 12.450 -1.576 11.873 34 1HB GLU 5 HB2 GLU 5 10.754 -0.528 14.153 35 2HB GLU 5 HB1 GLU 5 10.155 -1.259 12.676 36 1HG GLU 5 HG2 GLU 5 9.986 -2.936 14.277 37 2HG GLU 5 HG1 GLU 5 11.428 -3.340 13.354 38 H GLU 6 HN GLU 6 12.688 -0.148 10.262 39 HA GLU 6 HA GLU 6 12.393 2.704 10.903 40 1HB GLU 6 HB2 GLU 6 14.577 1.797 9.957 41 2HB GLU 6 HB1 GLU 6 13.708 1.558 8.446 42 1HG GLU 6 HG2 GLU 6 14.995 3.660 8.518 43 2HG GLU 6 HG1 GLU 6 13.267 3.909 8.263 44 H SER 7 HN SER 7 10.991 3.986 9.836 45 HA SER 7 HA SER 7 8.995 2.637 8.181 46 1HB SER 7 HB2 SER 7 8.275 3.937 10.187 47 2HB SER 7 HB1 SER 7 8.931 5.394 9.445 48 HG SER 7 HG SER 7 6.689 3.869 8.705 49 H LYS 8 HN LYS 8 9.229 2.761 6.046 50 HA LYS 8 HA LYS 8 10.322 5.247 4.900 51 1HB LYS 8 HB2 LYS 8 11.880 3.282 4.789 52 2HB LYS 8 HB1 LYS 8 10.689 2.455 3.801 53 1HG LYS 8 HG2 LYS 8 10.994 3.937 2.005 54 2HG LYS 8 HG1 LYS 8 11.856 5.106 3.013 55 1HD LYS 8 HD2 LYS 8 13.688 3.499 3.297 56 2HD LYS 8 HD1 LYS 8 12.829 2.343 2.280 57 1HE LYS 8 HE2 LYS 8 13.552 5.085 1.302 58 2HE LYS 8 HE1 LYS 8 14.684 3.740 1.204 59 1HZ LYS 8 HZ1 LYS 8 13.407 2.651 -0.342 60 2HZ LYS 8 HZ2 LYS 8 13.125 4.273 -0.777 61 3HZ LYS 8 HZ3 LYS 8 11.968 3.418 0.122 62 H LYS 9 HN LYS 9 8.821 6.281 3.761 63 HA LYS 9 HA LYS 9 6.599 4.703 2.641 64 1HB LYS 9 HB2 LYS 9 5.981 6.183 4.547 65 2HB LYS 9 HB1 LYS 9 6.510 7.568 3.603 66 1HG LYS 9 HG2 LYS 9 4.809 7.048 1.912 67 2HG LYS 9 HG1 LYS 9 4.261 5.694 2.901 68 1HD LYS 9 HD2 LYS 9 2.776 7.445 3.394 69 2HD LYS 9 HD1 LYS 9 3.901 7.411 4.752 70 1HE LYS 9 HE2 LYS 9 5.168 9.246 3.738 71 2HE LYS 9 HE1 LYS 9 4.033 9.283 2.390 72 1HZ LYS 9 HZ1 LYS 9 3.636 10.130 5.179 73 2HZ LYS 9 HZ2 LYS 9 2.296 9.606 4.282 74 3HZ LYS 9 HZ3 LYS 9 3.213 10.928 3.742 75 H PHE 10 HN PHE 10 6.036 4.964 0.574 76 HA PHE 10 HA PHE 10 7.052 7.320 -0.871 77 1HB PHE 10 HB2 PHE 10 7.489 6.068 -2.821 78 2HB PHE 10 HB1 PHE 10 8.129 5.060 -1.532 79 HD1 PHE 10 HD1 PHE 10 5.581 5.403 -4.106 80 HD2 PHE 10 HD2 PHE 10 7.000 2.984 -0.905 81 HE1 PHE 10 HE1 PHE 10 4.195 3.542 -4.911 82 HE2 PHE 10 HE2 PHE 10 5.615 1.115 -1.709 83 HZ PHE 10 HZ PHE 10 4.204 1.395 -3.715 84 H SER 11 HN SER 11 5.579 7.771 -2.840 85 HA SER 11 HA SER 11 2.899 6.727 -2.599 86 1HB SER 11 HB2 SER 11 3.016 8.570 -0.881 87 2HB SER 11 HB1 SER 11 3.312 9.699 -2.203 88 HG SER 11 HG SER 11 1.068 7.978 -2.181 89 H ALA 12 HN ALA 12 2.324 6.354 -4.608 90 HA ALA 12 HA ALA 12 3.060 8.343 -6.652 91 1HB ALA 12 HB1 ALA 12 4.213 6.212 -7.010 92 2HB ALA 12 HB2 ALA 12 3.051 6.536 -8.296 93 3HB ALA 12 HB3 ALA 12 2.662 5.374 -7.028 94 H ASN 13 HN ASN 13 1.429 9.221 -7.789 95 HA ASN 13 HA ASN 13 -1.286 8.389 -7.097 96 1HB ASN 13 HB2 ASN 13 -0.604 10.810 -6.972 97 2HB ASN 13 HB1 ASN 13 -0.411 10.794 -8.721 98 1HD2 ASN 13 HD21 ASN 13 -2.219 12.294 -6.916 99 2HD2 ASN 13 HD22 ASN 13 -3.811 11.999 -7.519 100 H LEU 14 HN LEU 14 -1.784 6.647 -8.273 101 HA LEU 14 HA LEU 14 -0.874 6.476 -11.035 102 1HB LEU 14 HB2 LEU 14 -1.645 4.554 -8.932 103 2HB LEU 14 HB1 LEU 14 -2.066 4.098 -10.568 104 HG LEU 14 HG LEU 14 0.167 3.936 -11.241 105 1HD1 LEU 14 HD11 LEU 14 0.930 6.100 -10.404 106 2HD1 LEU 14 HD12 LEU 14 2.060 4.816 -9.976 107 3HD1 LEU 14 HD13 LEU 14 0.956 5.461 -8.761 108 1HD2 LEU 14 HD21 LEU 14 0.182 3.123 -8.336 109 2HD2 LEU 14 HD22 LEU 14 1.235 2.503 -9.608 110 3HD2 LEU 14 HD23 LEU 14 -0.497 2.169 -9.657 111 H ASN 15 HN ASN 15 -2.218 7.658 -12.249 112 HA ASN 15 HA ASN 15 -3.948 7.965 -13.675 113 1HB ASN 15 HB2 ASN 15 -4.839 5.256 -12.660 114 2HB ASN 15 HB1 ASN 15 -5.514 6.080 -14.060 115 1HD2 ASN 15 HD21 ASN 15 -4.932 4.438 -15.463 116 2HD2 ASN 15 HD22 ASN 15 -3.287 4.134 -15.917 117 H GLY 16 HN GLY 16 -4.157 8.601 -10.680 118 1HA GLY 16 HA2 GLY 16 -5.900 10.220 -10.055 119 2HA GLY 16 HA1 GLY 16 -7.074 9.085 -10.705 120 H THR 17 HN THR 17 -5.140 6.997 -9.407 121 HA THR 17 HA THR 17 -6.448 7.118 -6.773 122 HB THR 17 HB THR 17 -5.283 4.675 -8.121 123 HG1 THR 17 HG1 THR 17 -7.270 5.949 -9.049 124 1HG2 THR 17 HG21 THR 17 -5.575 4.497 -5.698 125 2HG2 THR 17 HG22 THR 17 -6.727 3.467 -6.548 126 3HG2 THR 17 HG23 THR 17 -7.258 5.001 -5.858 127 H GLU 18 HN GLU 18 -5.117 7.702 -5.155 128 HA GLU 18 HA GLU 18 -2.261 7.670 -5.491 129 1HB GLU 18 HB2 GLU 18 -3.714 8.094 -2.886 130 2HB GLU 18 HB1 GLU 18 -2.104 8.639 -3.323 131 1HG GLU 18 HG2 GLU 18 -3.406 10.005 -5.140 132 2HG GLU 18 HG1 GLU 18 -4.755 9.770 -4.018 133 H ILE 19 HN ILE 19 -0.821 6.196 -4.708 134 HA ILE 19 HA ILE 19 -1.854 4.307 -2.709 135 HB ILE 19 HB ILE 19 0.178 3.658 -4.855 136 1HG1 ILE 19 HG12 ILE 19 -2.694 2.821 -4.407 137 2HG1 ILE 19 HG11 ILE 19 -2.028 3.657 -5.806 138 1HG2 ILE 19 HG21 ILE 19 0.144 1.393 -3.915 139 2HG2 ILE 19 HG22 ILE 19 -0.944 1.939 -2.638 140 3HG2 ILE 19 HG23 ILE 19 0.698 2.573 -2.728 141 1HD1 ILE 19 HD11 ILE 19 -2.508 1.327 -6.297 142 2HD1 ILE 19 HD12 ILE 19 -1.431 0.823 -4.994 143 3HD1 ILE 19 HD13 ILE 19 -0.776 1.652 -6.408 144 H ALA 20 HN ALA 20 -1.114 5.160 -0.906 145 HA ALA 20 HA ALA 20 1.676 6.062 -0.773 146 1HB ALA 20 HB1 ALA 20 -0.033 7.657 -0.019 147 2HB ALA 20 HB2 ALA 20 1.040 7.181 1.296 148 3HB ALA 20 HB3 ALA 20 -0.578 6.491 1.187 149 H ILE 21 HN ILE 21 2.901 4.310 -0.414 150 HA ILE 21 HA ILE 21 1.975 2.349 1.554 151 HB ILE 21 HB ILE 21 4.114 2.131 -0.559 152 1HG1 ILE 21 HG12 ILE 21 1.400 0.846 -0.221 153 2HG1 ILE 21 HG11 ILE 21 1.874 1.999 -1.460 154 1HG2 ILE 21 HG21 ILE 21 4.826 0.897 1.387 155 2HG2 ILE 21 HG22 ILE 21 4.287 -0.234 0.145 156 3HG2 ILE 21 HG23 ILE 21 3.244 0.132 1.519 157 1HD1 ILE 21 HD11 ILE 21 1.753 -0.249 -2.342 158 2HD1 ILE 21 HD12 ILE 21 2.934 -0.795 -1.150 159 3HD1 ILE 21 HD13 ILE 21 3.409 0.358 -2.398 160 H THR 22 HN THR 22 2.690 2.566 3.503 161 HA THR 22 HA THR 22 5.396 3.617 3.963 162 HB THR 22 HB THR 22 3.312 3.104 6.085 163 HG1 THR 22 HG1 THR 22 2.680 4.596 4.237 164 1HG2 THR 22 HG21 THR 22 4.534 4.862 7.279 165 2HG2 THR 22 HG22 THR 22 5.634 5.028 5.910 166 3HG2 THR 22 HG23 THR 22 5.600 3.528 6.836 167 H TYR 23 HN TYR 23 6.761 1.859 3.792 168 HA TYR 23 HA TYR 23 5.869 -0.582 5.141 169 1HB TYR 23 HB2 TYR 23 7.672 -1.743 3.830 170 2HB TYR 23 HB1 TYR 23 6.342 -1.100 2.882 171 HD1 TYR 23 HD1 TYR 23 6.693 0.736 1.337 172 HD2 TYR 23 HD2 TYR 23 9.913 -0.814 3.644 173 HE1 TYR 23 HE1 TYR 23 8.291 1.874 -0.148 174 HE2 TYR 23 HE2 TYR 23 11.522 0.324 2.174 175 HH TYR 23 HH TYR 23 11.591 1.172 -0.186 176 H VAL 24 HN VAL 24 6.766 -1.259 6.879 177 HA VAL 24 HA VAL 24 9.113 0.118 7.939 178 HB VAL 24 HB VAL 24 7.197 -1.802 9.285 179 1HG1 VAL 24 HG11 VAL 24 9.414 -1.887 10.290 180 2HG1 VAL 24 HG12 VAL 24 8.266 -1.101 11.373 181 3HG1 VAL 24 HG13 VAL 24 9.418 -0.131 10.456 182 1HG2 VAL 24 HG21 VAL 24 7.448 1.195 9.505 183 2HG2 VAL 24 HG22 VAL 24 6.370 0.180 10.464 184 3HG2 VAL 24 HG23 VAL 24 6.136 0.314 8.721 185 H TYR 25 HN TYR 25 11.006 -0.776 7.606 186 HA TYR 25 HA TYR 25 11.133 -3.696 7.222 187 1HB TYR 25 HB2 TYR 25 12.975 -3.344 5.674 188 2HB TYR 25 HB1 TYR 25 11.586 -2.398 5.151 189 HD1 TYR 25 HD1 TYR 25 15.050 -2.314 6.094 190 HD2 TYR 25 HD2 TYR 25 11.568 0.095 5.665 191 HE1 TYR 25 HE1 TYR 25 16.457 -0.296 6.053 192 HE2 TYR 25 HE2 TYR 25 12.966 2.115 5.620 193 HH TYR 25 HH TYR 25 15.240 2.804 6.441 194 H LYS 26 HN LYS 26 13.155 -4.692 7.844 195 HA LYS 26 HA LYS 26 14.817 -3.122 9.676 196 1HB LYS 26 HB2 LYS 26 12.965 -4.735 10.735 197 2HB LYS 26 HB1 LYS 26 14.208 -5.942 10.428 198 1HG LYS 26 HG2 LYS 26 15.785 -4.728 11.781 199 2HG LYS 26 HG1 LYS 26 14.625 -3.419 12.009 200 1HD LYS 26 HD2 LYS 26 13.096 -5.089 13.087 201 2HD LYS 26 HD1 LYS 26 14.430 -6.246 13.028 202 1HE LYS 26 HE2 LYS 26 15.809 -4.654 14.327 203 2HE LYS 26 HE1 LYS 26 14.409 -3.584 14.440 204 1HZ LYS 26 HZ1 LYS 26 13.275 -5.088 15.787 205 2HZ LYS 26 HZ2 LYS 26 14.861 -5.119 16.390 206 3HZ LYS 26 HZ3 LYS 26 14.306 -6.381 15.405 207 H GLY 27 HN GLY 27 16.700 -3.126 8.613 208 1HA GLY 27 HA2 GLY 27 18.613 -3.974 7.619 209 2HA GLY 27 HA1 GLY 27 17.983 -5.598 7.882 210 H ASP 28 HN ASP 28 17.541 -6.680 6.076 211 HA ASP 28 HA ASP 28 16.711 -5.141 3.702 212 1HB ASP 28 HB2 ASP 28 18.807 -6.692 3.670 213 2HB ASP 28 HB1 ASP 28 17.635 -8.002 3.597 214 H LYS 29 HN LYS 29 15.334 -6.555 6.172 215 HA LYS 29 HA LYS 29 13.395 -8.135 4.632 216 1HB LYS 29 HB2 LYS 29 14.615 -9.171 6.608 217 2HB LYS 29 HB1 LYS 29 13.715 -8.064 7.630 218 1HG LYS 29 HG2 LYS 29 11.617 -9.038 6.845 219 2HG LYS 29 HG1 LYS 29 12.525 -10.162 5.830 220 1HD LYS 29 HD2 LYS 29 12.726 -9.968 8.833 221 2HD LYS 29 HD1 LYS 29 11.810 -11.188 7.949 222 1HE LYS 29 HE2 LYS 29 13.780 -12.123 7.018 223 2HE LYS 29 HE1 LYS 29 14.760 -10.760 7.562 224 1HZ LYS 29 HZ1 LYS 29 13.382 -12.664 9.379 225 2HZ LYS 29 HZ2 LYS 29 14.460 -11.431 9.822 226 3HZ LYS 29 HZ3 LYS 29 15.020 -12.768 8.938 227 H VAL 30 HN VAL 30 11.731 -6.883 4.005 228 HA VAL 30 HA VAL 30 10.704 -4.757 5.664 229 HB VAL 30 HB VAL 30 9.341 -5.991 3.263 230 1HG1 VAL 30 HG11 VAL 30 8.286 -3.788 3.072 231 2HG1 VAL 30 HG12 VAL 30 9.148 -3.253 4.515 232 3HG1 VAL 30 HG13 VAL 30 7.944 -4.538 4.632 233 1HG2 VAL 30 HG21 VAL 30 10.411 -4.272 1.894 234 2HG2 VAL 30 HG22 VAL 30 11.611 -5.333 2.631 235 3HG2 VAL 30 HG23 VAL 30 11.331 -3.722 3.294 236 H LEU 31 HN LEU 31 9.298 -5.047 7.290 237 HA LEU 31 HA LEU 31 8.272 -7.775 7.620 238 1HB LEU 31 HB2 LEU 31 8.957 -5.637 9.623 239 2HB LEU 31 HB1 LEU 31 8.138 -7.129 10.053 240 HG LEU 31 HG LEU 31 10.851 -7.009 8.738 241 1HD1 LEU 31 HD11 LEU 31 11.767 -7.613 10.903 242 2HD1 LEU 31 HD12 LEU 31 10.160 -7.512 11.627 243 3HD1 LEU 31 HD13 LEU 31 10.933 -6.060 10.991 244 1HD2 LEU 31 HD21 LEU 31 9.606 -9.046 8.280 245 2HD2 LEU 31 HD22 LEU 31 9.321 -9.274 10.006 246 3HD2 LEU 31 HD23 LEU 31 10.961 -9.369 9.362 247 H LYS 32 HN LYS 32 7.212 -4.505 7.267 248 HA LYS 32 HA LYS 32 4.482 -5.468 7.267 249 1HB LYS 32 HB2 LYS 32 4.891 -4.870 9.639 250 2HB LYS 32 HB1 LYS 32 5.282 -3.231 9.136 251 1HG LYS 32 HG2 LYS 32 3.039 -2.885 8.346 252 2HG LYS 32 HG1 LYS 32 2.628 -4.571 8.669 253 1HD LYS 32 HD2 LYS 32 1.780 -3.096 10.426 254 2HD LYS 32 HD1 LYS 32 2.991 -4.214 11.054 255 1HE LYS 32 HE2 LYS 32 4.682 -2.441 10.902 256 2HE LYS 32 HE1 LYS 32 3.449 -1.328 10.310 257 1HZ LYS 32 HZ1 LYS 32 3.450 -2.662 12.965 258 2HZ LYS 32 HZ2 LYS 32 2.256 -1.600 12.397 259 3HZ LYS 32 HZ3 LYS 32 3.834 -1.034 12.670 260 H GLN 33 HN GLN 33 3.240 -4.403 5.849 261 HA GLN 33 HA GLN 33 4.306 -1.905 4.708 262 1HB GLN 33 HB2 GLN 33 4.620 -3.640 3.078 263 2HB GLN 33 HB1 GLN 33 2.986 -4.243 3.323 264 1HG GLN 33 HG2 GLN 33 2.121 -2.093 2.434 265 2HG GLN 33 HG1 GLN 33 3.782 -1.632 2.070 266 1HE2 GLN 33 HE21 GLN 33 4.843 -2.598 0.372 267 2HE2 GLN 33 HE22 GLN 33 4.033 -3.558 -0.812 268 H SER 34 HN SER 34 2.983 -0.349 5.530 269 HA SER 34 HA SER 34 0.112 -0.843 5.480 270 1HB SER 34 HB2 SER 34 0.035 1.540 6.455 271 2HB SER 34 HB1 SER 34 0.690 0.259 7.469 272 HG SER 34 HG SER 34 2.658 1.333 6.003 273 H SER 35 HN SER 35 -0.481 -0.868 3.418 274 HA SER 35 HA SER 35 0.321 1.312 1.636 275 1HB SER 35 HB2 SER 35 0.609 -0.980 0.783 276 2HB SER 35 HB1 SER 35 -1.101 -1.307 1.061 277 HG SER 35 HG SER 35 -1.366 -0.577 -0.883 278 H GLU 36 HN GLU 36 -1.006 2.983 1.467 279 HA GLU 36 HA GLU 36 -3.867 2.535 1.988 280 1HB GLU 36 HB2 GLU 36 -2.948 4.054 3.596 281 2HB GLU 36 HB1 GLU 36 -2.169 4.992 2.341 282 1HG GLU 36 HG2 GLU 36 -4.893 4.991 1.700 283 2HG GLU 36 HG1 GLU 36 -4.802 5.247 3.442 284 H THR 37 HN THR 37 -4.972 2.387 0.211 285 HA THR 37 HA THR 37 -4.088 3.781 -2.204 286 HB THR 37 HB THR 37 -6.207 1.644 -1.893 287 HG1 THR 37 HG1 THR 37 -4.508 0.416 -1.604 288 1HG2 THR 37 HG21 THR 37 -6.467 2.976 -3.918 289 2HG2 THR 37 HG22 THR 37 -5.929 1.340 -4.301 290 3HG2 THR 37 HG23 THR 37 -4.780 2.679 -4.336 291 H LYS 38 HN LYS 38 -4.957 5.740 -2.500 292 HA LYS 38 HA LYS 38 -7.517 6.376 -1.255 293 1HB LYS 38 HB2 LYS 38 -5.578 7.872 -0.862 294 2HB LYS 38 HB1 LYS 38 -5.552 8.236 -2.583 295 1HG LYS 38 HG2 LYS 38 -7.793 9.178 -2.430 296 2HG LYS 38 HG1 LYS 38 -7.841 8.795 -0.710 297 1HD LYS 38 HD2 LYS 38 -5.843 10.648 -2.007 298 2HD LYS 38 HD1 LYS 38 -7.317 11.173 -1.195 299 1HE LYS 38 HE2 LYS 38 -5.669 11.436 0.431 300 2HE LYS 38 HE1 LYS 38 -6.415 9.894 0.840 301 1HZ LYS 38 HZ1 LYS 38 -3.917 9.969 0.880 302 2HZ LYS 38 HZ2 LYS 38 -3.963 10.088 -0.815 303 3HZ LYS 38 HZ3 LYS 38 -4.594 8.714 -0.034 304 H ILE 39 HN ILE 39 -9.250 6.008 -2.424 305 HA ILE 39 HA ILE 39 -9.150 6.408 -5.331 306 HB ILE 39 HB ILE 39 -11.291 5.088 -3.641 307 1HG1 ILE 39 HG12 ILE 39 -10.512 3.078 -5.134 308 2HG1 ILE 39 HG11 ILE 39 -9.027 4.008 -5.292 309 1HG2 ILE 39 HG21 ILE 39 -11.076 5.363 -6.636 310 2HG2 ILE 39 HG22 ILE 39 -12.260 6.149 -5.591 311 3HG2 ILE 39 HG23 ILE 39 -12.279 4.396 -5.782 312 1HD1 ILE 39 HD11 ILE 39 -10.255 3.073 -2.709 313 2HD1 ILE 39 HD12 ILE 39 -8.757 3.989 -2.871 314 3HD1 ILE 39 HD13 ILE 39 -8.866 2.354 -3.522 315 H GLN 40 HN GLN 40 -9.863 8.284 -6.105 316 HA GLN 40 HA GLN 40 -11.262 10.173 -4.470 317 1HB GLN 40 HB2 GLN 40 -9.621 10.674 -6.369 318 2HB GLN 40 HB1 GLN 40 -10.937 10.298 -7.471 319 1HG GLN 40 HG2 GLN 40 -11.085 12.579 -7.325 320 2HG GLN 40 HG1 GLN 40 -12.245 12.070 -6.099 321 1HE2 GLN 40 HE21 GLN 40 -10.052 11.279 -4.259 322 2HE2 GLN 40 HE22 GLN 40 -9.435 12.763 -3.615 323 H PHE 41 HN PHE 41 -13.436 10.734 -4.504 324 HA PHE 41 HA PHE 41 -15.315 8.785 -5.232 325 1HB PHE 41 HB2 PHE 41 -15.523 11.659 -4.417 326 2HB PHE 41 HB1 PHE 41 -16.953 10.829 -5.017 327 HD1 PHE 41 HD1 PHE 41 -14.189 9.586 -2.845 328 HD2 PHE 41 HD2 PHE 41 -18.324 10.522 -3.190 329 HE1 PHE 41 HE1 PHE 41 -14.585 8.656 -0.604 330 HE2 PHE 41 HE2 PHE 41 -18.725 9.595 -0.948 331 HZ PHE 41 HZ PHE 41 -16.850 8.664 0.349 332 H ALA 42 HN ALA 42 -14.018 11.489 -6.999 333 HA ALA 42 HA ALA 42 -15.941 11.509 -9.084 334 1HB ALA 42 HB1 ALA 42 -14.512 13.426 -8.595 335 2HB ALA 42 HB2 ALA 42 -14.345 12.912 -10.273 336 3HB ALA 42 HB3 ALA 42 -13.096 12.501 -9.096 337 H SER 43 HN SER 43 -13.276 9.454 -8.385 338 HA SER 43 HA SER 43 -12.995 8.568 -11.150 339 1HB SER 43 HB2 SER 43 -11.551 7.584 -8.677 340 2HB SER 43 HB1 SER 43 -11.101 7.284 -10.356 341 HG SER 43 HG SER 43 -10.792 9.563 -10.570 342 H ILE 44 HN ILE 44 -14.323 7.514 -8.098 343 HA ILE 44 HA ILE 44 -14.847 4.834 -9.077 344 HB ILE 44 HB ILE 44 -14.190 5.017 -6.773 345 1HG1 ILE 44 HG12 ILE 44 -17.140 4.373 -6.958 346 2HG1 ILE 44 HG11 ILE 44 -15.818 3.258 -7.288 347 1HG2 ILE 44 HG21 ILE 44 -14.879 7.298 -6.345 348 2HG2 ILE 44 HG22 ILE 44 -15.524 6.217 -5.109 349 3HG2 ILE 44 HG23 ILE 44 -16.574 6.817 -6.394 350 1HD1 ILE 44 HD11 ILE 44 -15.135 3.313 -4.985 351 2HD1 ILE 44 HD12 ILE 44 -16.857 2.944 -5.070 352 3HD1 ILE 44 HD13 ILE 44 -16.325 4.563 -4.626 353 H GLY 45 HN GLY 45 -16.490 7.865 -8.793 354 1HA GLY 45 HA2 GLY 45 -18.527 8.475 -9.728 355 2HA GLY 45 HA1 GLY 45 -18.804 6.789 -10.156 356 H ALA 46 HN ALA 46 -18.019 8.095 -6.991 357 HA ALA 46 HA ALA 46 -20.515 6.926 -5.982 358 1HB ALA 46 HB1 ALA 46 -18.444 6.042 -5.008 359 2HB ALA 46 HB2 ALA 46 -19.438 6.862 -3.803 360 3HB ALA 46 HB3 ALA 46 -18.013 7.663 -4.466 361 H THR 47 HN THR 47 -22.056 8.184 -5.165 362 HA THR 47 HA THR 47 -21.584 11.052 -4.946 363 HB THR 47 HB THR 47 -24.181 9.560 -4.527 364 HG1 THR 47 HG1 THR 47 -22.899 10.479 -6.897 365 1HG2 THR 47 HG21 THR 47 -23.581 12.429 -5.255 366 2HG2 THR 47 HG22 THR 47 -24.162 11.853 -3.692 367 3HG2 THR 47 HG23 THR 47 -25.190 11.721 -5.119 368 H THR 48 HN THR 48 -22.309 8.239 -3.005 369 HA THR 48 HA THR 48 -22.037 9.873 -0.572 370 HB THR 48 HB THR 48 -23.482 8.159 0.556 371 HG1 THR 48 HG1 THR 48 -24.055 7.359 -2.135 372 1HG2 THR 48 HG21 THR 48 -25.606 9.021 -0.316 373 2HG2 THR 48 HG22 THR 48 -24.770 9.646 -1.737 374 3HG2 THR 48 HG23 THR 48 -24.415 10.310 -0.143 375 H LYS 49 HN LYS 49 -21.388 8.391 1.353 376 HA LYS 49 HA LYS 49 -18.986 7.049 0.576 377 1HB LYS 49 HB2 LYS 49 -18.725 6.561 2.997 378 2HB LYS 49 HB1 LYS 49 -18.952 8.263 2.639 379 1HG LYS 49 HG2 LYS 49 -21.316 8.060 3.307 380 2HG LYS 49 HG1 LYS 49 -21.024 6.371 3.730 381 1HD LYS 49 HD2 LYS 49 -20.925 7.818 5.706 382 2HD LYS 49 HD1 LYS 49 -19.362 7.061 5.383 383 1HE LYS 49 HE2 LYS 49 -18.636 9.135 4.250 384 2HE LYS 49 HE1 LYS 49 -20.175 9.881 4.677 385 1HZ LYS 49 HZ1 LYS 49 -18.133 8.883 6.596 386 2HZ LYS 49 HZ2 LYS 49 -19.618 9.584 7.019 387 3HZ LYS 49 HZ3 LYS 49 -18.441 10.511 6.223 388 H GLU 50 HN GLU 50 -22.239 6.065 1.354 389 HA GLU 50 HA GLU 50 -21.708 3.288 1.583 390 1HB GLU 50 HB2 GLU 50 -24.186 4.854 0.906 391 2HB GLU 50 HB1 GLU 50 -24.177 3.095 0.889 392 1HG GLU 50 HG2 GLU 50 -23.509 4.835 3.255 393 2HG GLU 50 HG1 GLU 50 -25.030 3.982 2.994 394 H ASP 51 HN ASP 51 -22.405 5.405 -1.173 395 HA ASP 51 HA ASP 51 -22.532 3.446 -3.174 396 1HB ASP 51 HB2 ASP 51 -21.519 6.284 -3.236 397 2HB ASP 51 HB1 ASP 51 -21.518 5.265 -4.670 398 H ALA 52 HN ALA 52 -19.789 5.190 -1.824 399 HA ALA 52 HA ALA 52 -17.762 4.043 -3.353 400 1HB ALA 52 HB1 ALA 52 -17.475 6.018 -1.916 401 2HB ALA 52 HB2 ALA 52 -16.249 4.787 -1.605 402 3HB ALA 52 HB3 ALA 52 -17.603 4.987 -0.491 403 H ALA 53 HN ALA 53 -19.020 3.078 -0.162 404 HA ALA 53 HA ALA 53 -17.422 0.810 0.186 405 1HB ALA 53 HB1 ALA 53 -18.744 1.822 1.986 406 2HB ALA 53 HB2 ALA 53 -19.057 0.093 1.836 407 3HB ALA 53 HB3 ALA 53 -20.225 1.258 1.210 408 H LYS 54 HN LYS 54 -20.608 1.162 -1.330 409 HA LYS 54 HA LYS 54 -21.190 -1.538 -1.702 410 1HB LYS 54 HB2 LYS 54 -22.786 0.357 -2.019 411 2HB LYS 54 HB1 LYS 54 -21.974 0.742 -3.531 412 1HG LYS 54 HG2 LYS 54 -22.645 -1.342 -4.495 413 2HG LYS 54 HG1 LYS 54 -23.290 -1.903 -2.954 414 1HD LYS 54 HD2 LYS 54 -25.192 -1.237 -4.102 415 2HD LYS 54 HD1 LYS 54 -24.826 0.166 -3.101 416 1HE LYS 54 HE2 LYS 54 -23.854 -0.065 -5.936 417 2HE LYS 54 HE1 LYS 54 -25.450 0.568 -5.551 418 1HZ LYS 54 HZ1 LYS 54 -23.963 2.383 -5.779 419 2HZ LYS 54 HZ2 LYS 54 -22.832 1.694 -4.730 420 3HZ LYS 54 HZ3 LYS 54 -24.320 2.242 -4.127 421 H THR 55 HN THR 55 -18.971 0.503 -3.378 422 HA THR 55 HA THR 55 -18.720 -1.397 -5.591 423 HB THR 55 HB THR 55 -17.208 1.188 -5.352 424 HG1 THR 55 HG1 THR 55 -19.333 1.828 -5.100 425 1HG2 THR 55 HG21 THR 55 -18.236 -0.397 -7.709 426 2HG2 THR 55 HG22 THR 55 -16.566 -0.339 -7.147 427 3HG2 THR 55 HG23 THR 55 -17.326 1.110 -7.804 428 H LEU 56 HN LEU 56 -16.967 -0.102 -2.834 429 HA LEU 56 HA LEU 56 -14.456 -1.251 -3.712 430 1HB LEU 56 HB2 LEU 56 -15.170 0.304 -1.230 431 2HB LEU 56 HB1 LEU 56 -13.552 -0.239 -1.631 432 HG LEU 56 HG LEU 56 -15.202 1.739 -3.205 433 1HD1 LEU 56 HD11 LEU 56 -13.512 3.351 -2.506 434 2HD1 LEU 56 HD12 LEU 56 -12.710 2.104 -1.551 435 3HD1 LEU 56 HD13 LEU 56 -14.332 2.640 -1.115 436 1HD2 LEU 56 HD21 LEU 56 -12.402 0.725 -3.685 437 2HD2 LEU 56 HD22 LEU 56 -13.190 2.032 -4.570 438 3HD2 LEU 56 HD23 LEU 56 -13.817 0.387 -4.682 439 H GLU 57 HN GLU 57 -17.008 -2.045 -1.463 440 HA GLU 57 HA GLU 57 -15.618 -3.721 0.267 441 1HB GLU 57 HB2 GLU 57 -18.484 -3.759 -0.627 442 2HB GLU 57 HB1 GLU 57 -17.855 -4.937 0.519 443 1HG GLU 57 HG2 GLU 57 -17.007 -2.846 1.788 444 2HG GLU 57 HG1 GLU 57 -18.219 -1.997 0.832 445 HA PRO 58 HA PRO 58 -16.639 -7.333 -3.138 446 1HB PRO 58 HB2 PRO 58 -15.853 -5.378 -5.260 447 2HB PRO 58 HB1 PRO 58 -16.894 -6.801 -5.374 448 1HG PRO 58 HG2 PRO 58 -17.892 -4.304 -5.221 449 2HG PRO 58 HG1 PRO 58 -18.721 -5.703 -4.519 450 1HD PRO 58 HD2 PRO 58 -17.361 -3.472 -3.171 451 2HD PRO 58 HD1 PRO 58 -18.549 -4.621 -2.537 452 H LEU 59 HN LEU 59 -14.292 -4.680 -3.182 453 HA LEU 59 HA LEU 59 -12.143 -6.448 -4.006 454 1HB LEU 59 HB2 LEU 59 -12.214 -3.511 -3.326 455 2HB LEU 59 HB1 LEU 59 -10.733 -4.366 -3.701 456 HG LEU 59 HG LEU 59 -11.785 -4.950 -5.942 457 1HD1 LEU 59 HD11 LEU 59 -13.573 -3.485 -6.729 458 2HD1 LEU 59 HD12 LEU 59 -13.718 -2.791 -5.114 459 3HD1 LEU 59 HD13 LEU 59 -14.107 -4.490 -5.382 460 1HD2 LEU 59 HD21 LEU 59 -11.240 -2.765 -6.902 461 2HD2 LEU 59 HD22 LEU 59 -10.050 -3.269 -5.702 462 3HD2 LEU 59 HD23 LEU 59 -11.260 -2.055 -5.288 463 H SER 60 HN SER 60 -13.080 -4.594 -1.124 464 HA SER 60 HA SER 60 -10.761 -5.247 0.365 465 1HB SER 60 HB2 SER 60 -12.068 -4.391 2.309 466 2HB SER 60 HB1 SER 60 -12.063 -3.291 0.930 467 HG SER 60 HG SER 60 -14.150 -4.268 2.190 468 H ALA 61 HN ALA 61 -13.804 -6.862 -0.121 469 HA ALA 61 HA ALA 61 -13.690 -8.614 2.101 470 1HB ALA 61 HB1 ALA 61 -15.389 -9.910 0.945 471 2HB ALA 61 HB2 ALA 61 -15.065 -9.031 -0.550 472 3HB ALA 61 HB3 ALA 61 -15.747 -8.186 0.839 473 H LYS 62 HN LYS 62 -11.709 -8.436 -0.580 474 HA LYS 62 HA LYS 62 -11.190 -11.291 -0.754 475 1HB LYS 62 HB2 LYS 62 -9.932 -8.950 -2.199 476 2HB LYS 62 HB1 LYS 62 -9.579 -10.644 -2.523 477 1HG LYS 62 HG2 LYS 62 -11.863 -11.018 -3.228 478 2HG LYS 62 HG1 LYS 62 -12.289 -9.359 -2.810 479 1HD LYS 62 HD2 LYS 62 -10.692 -8.550 -4.503 480 2HD LYS 62 HD1 LYS 62 -10.333 -10.222 -4.942 481 1HE LYS 62 HE2 LYS 62 -12.664 -10.565 -5.572 482 2HE LYS 62 HE1 LYS 62 -13.042 -8.908 -5.106 483 1HZ LYS 62 HZ1 LYS 62 -12.774 -9.084 -7.480 484 2HZ LYS 62 HZ2 LYS 62 -11.217 -9.728 -7.305 485 3HZ LYS 62 HZ3 LYS 62 -11.529 -8.129 -6.843 486 H TYR 63 HN TYR 63 -10.289 -8.856 1.287 487 HA TYR 63 HA TYR 63 -7.531 -9.720 1.648 488 1HB TYR 63 HB2 TYR 63 -9.210 -7.638 3.035 489 2HB TYR 63 HB1 TYR 63 -7.610 -8.079 3.592 490 HD1 TYR 63 HD1 TYR 63 -5.663 -7.330 2.481 491 HD2 TYR 63 HD2 TYR 63 -9.494 -6.479 0.855 492 HE1 TYR 63 HE1 TYR 63 -4.649 -5.689 0.979 493 HE2 TYR 63 HE2 TYR 63 -8.491 -4.831 -0.666 494 HH TYR 63 HH TYR 63 -6.437 -3.389 -0.728 495 H LYS 64 HN LYS 64 -10.341 -11.077 2.436 496 HA LYS 64 HA LYS 64 -10.387 -11.358 5.195 497 1HB LYS 64 HB2 LYS 64 -11.724 -13.424 4.785 498 2HB LYS 64 HB1 LYS 64 -12.297 -12.005 3.923 499 1HG LYS 64 HG2 LYS 64 -11.372 -12.804 1.866 500 2HG LYS 64 HG1 LYS 64 -10.577 -14.145 2.692 501 1HD LYS 64 HD2 LYS 64 -12.814 -14.991 3.360 502 2HD LYS 64 HD1 LYS 64 -13.548 -13.706 2.400 503 1HE LYS 64 HE2 LYS 64 -13.481 -15.822 1.174 504 2HE LYS 64 HE1 LYS 64 -12.501 -14.584 0.388 505 1HZ LYS 64 HZ1 LYS 64 -11.471 -16.851 0.559 506 2HZ LYS 64 HZ2 LYS 64 -11.354 -16.610 2.231 507 3HZ LYS 64 HZ3 LYS 64 -10.523 -15.583 1.168 508 H ASN 65 HN ASN 65 -8.680 -11.876 6.333 509 HA ASN 65 HA ASN 65 -7.117 -13.131 7.366 510 1HB ASN 65 HB2 ASN 65 -8.662 -15.372 6.057 511 2HB ASN 65 HB1 ASN 65 -7.396 -15.620 7.256 512 1HD2 ASN 65 HD21 ASN 65 -7.757 -14.970 9.395 513 2HD2 ASN 65 HD22 ASN 65 -9.359 -14.694 10.000 514 H ILE 66 HN ILE 66 -6.247 -12.005 4.925 515 HA ILE 66 HA ILE 66 -4.631 -13.990 3.582 516 HB ILE 66 HB ILE 66 -4.284 -10.982 3.566 517 1HG1 ILE 66 HG12 ILE 66 -5.878 -12.800 1.752 518 2HG1 ILE 66 HG11 ILE 66 -6.492 -11.492 2.762 519 1HG2 ILE 66 HG21 ILE 66 -3.070 -11.369 1.467 520 2HG2 ILE 66 HG22 ILE 66 -3.266 -13.109 1.680 521 3HG2 ILE 66 HG23 ILE 66 -2.299 -12.184 2.829 522 1HD1 ILE 66 HD11 ILE 66 -6.424 -10.847 0.425 523 2HD1 ILE 66 HD12 ILE 66 -4.692 -11.177 0.371 524 3HD1 ILE 66 HD13 ILE 66 -5.309 -9.870 1.381 525 H ALA 67 HN ALA 67 -4.294 -11.748 6.204 526 HA ALA 67 HA ALA 67 -2.064 -13.004 7.385 527 1HB ALA 67 HB1 ALA 67 -1.469 -10.367 6.020 528 2HB ALA 67 HB2 ALA 67 -0.882 -11.938 5.474 529 3HB ALA 67 HB3 ALA 67 -0.362 -11.299 7.034 530 H GLY 68 HN GLY 68 -1.044 -10.645 8.677 531 1HA GLY 68 HA2 GLY 68 -3.237 -9.821 10.336 532 2HA GLY 68 HA1 GLY 68 -1.599 -9.171 10.369 533 H VAL 69 HN VAL 69 -4.209 -9.320 7.959 534 HA VAL 69 HA VAL 69 -3.363 -6.769 6.913 535 HB VAL 69 HB VAL 69 -5.166 -7.124 5.200 536 1HG1 VAL 69 HG11 VAL 69 -4.039 -8.907 4.016 537 2HG1 VAL 69 HG12 VAL 69 -3.245 -9.425 5.504 538 3HG1 VAL 69 HG13 VAL 69 -2.860 -7.852 4.801 539 1HG2 VAL 69 HG21 VAL 69 -6.673 -8.492 6.557 540 2HG2 VAL 69 HG22 VAL 69 -5.492 -9.804 6.527 541 3HG2 VAL 69 HG23 VAL 69 -6.255 -9.266 5.027 542 H GLU 70 HN GLU 70 -3.929 -5.032 7.906 543 HA GLU 70 HA GLU 70 -6.479 -4.842 9.307 544 1HB GLU 70 HB2 GLU 70 -4.156 -4.052 10.194 545 2HB GLU 70 HB1 GLU 70 -4.409 -2.671 9.138 546 1HG GLU 70 HG2 GLU 70 -6.466 -2.140 10.316 547 2HG GLU 70 HG1 GLU 70 -6.201 -3.512 11.386 548 H GLU 71 HN GLU 71 -8.097 -4.421 7.927 549 HA GLU 71 HA GLU 71 -7.637 -2.597 5.696 550 1HB GLU 71 HB2 GLU 71 -8.649 -4.717 5.120 551 2HB GLU 71 HB1 GLU 71 -9.907 -4.489 6.320 552 1HG GLU 71 HG2 GLU 71 -9.886 -2.282 4.489 553 2HG GLU 71 HG1 GLU 71 -9.980 -3.810 3.613 554 H LYS 72 HN LYS 72 -8.158 -0.552 5.886 555 HA LYS 72 HA LYS 72 -10.505 0.178 7.518 556 1HB LYS 72 HB2 LYS 72 -7.962 1.757 7.109 557 2HB LYS 72 HB1 LYS 72 -9.400 2.371 7.902 558 1HG LYS 72 HG2 LYS 72 -9.154 0.667 9.646 559 2HG LYS 72 HG1 LYS 72 -7.687 0.087 8.847 560 1HD LYS 72 HD2 LYS 72 -6.644 2.266 9.147 561 2HD LYS 72 HD1 LYS 72 -8.114 2.879 9.905 562 1HE LYS 72 HE2 LYS 72 -7.859 1.267 11.712 563 2HE LYS 72 HE1 LYS 72 -6.405 0.626 10.947 564 1HZ LYS 72 HZ1 LYS 72 -5.864 2.173 12.714 565 2HZ LYS 72 HZ2 LYS 72 -6.752 3.398 11.956 566 3HZ LYS 72 HZ3 LYS 72 -5.357 2.789 11.221 567 H LEU 73 HN LEU 73 -11.952 0.227 5.793 568 HA LEU 73 HA LEU 73 -11.361 1.939 3.526 569 1HB LEU 73 HB2 LEU 73 -13.875 0.514 4.406 570 2HB LEU 73 HB1 LEU 73 -13.801 1.543 2.989 571 HG LEU 73 HG LEU 73 -12.215 -0.995 3.403 572 1HD1 LEU 73 HD11 LEU 73 -13.626 -1.878 1.611 573 2HD1 LEU 73 HD12 LEU 73 -14.548 -0.376 1.597 574 3HD1 LEU 73 HD13 LEU 73 -14.580 -1.418 3.020 575 1HD2 LEU 73 HD21 LEU 73 -12.383 0.862 1.030 576 2HD2 LEU 73 HD22 LEU 73 -11.547 -0.691 1.066 577 3HD2 LEU 73 HD23 LEU 73 -10.982 0.638 2.078 578 H THR 74 HN THR 74 -11.127 4.017 4.100 579 HA THR 74 HA THR 74 -13.024 5.080 6.084 580 HB THR 74 HB THR 74 -10.614 6.675 5.636 581 HG1 THR 74 HG1 THR 74 -10.231 4.076 5.640 582 1HG2 THR 74 HG21 THR 74 -10.567 6.640 8.071 583 2HG2 THR 74 HG22 THR 74 -11.787 5.366 8.092 584 3HG2 THR 74 HG23 THR 74 -12.201 6.977 7.499 585 H TYR 75 HN TYR 75 -14.567 6.199 5.126 586 HA TYR 75 HA TYR 75 -13.965 7.686 2.677 587 1HB TYR 75 HB2 TYR 75 -16.698 7.260 3.882 588 2HB TYR 75 HB1 TYR 75 -16.290 7.635 2.210 589 HD1 TYR 75 HD1 TYR 75 -14.962 5.838 0.907 590 HD2 TYR 75 HD2 TYR 75 -17.044 5.055 4.533 591 HE1 TYR 75 HE1 TYR 75 -14.970 3.439 0.378 592 HE2 TYR 75 HE2 TYR 75 -17.059 2.654 4.013 593 HH TYR 75 HH TYR 75 -16.846 1.173 2.159 594 H THR 76 HN THR 76 -13.189 9.646 3.173 595 HA THR 76 HA THR 76 -13.949 10.953 5.613 596 HB THR 76 HB THR 76 -12.237 12.108 3.423 597 HG1 THR 76 HG1 THR 76 -11.808 9.936 5.028 598 1HG2 THR 76 HG21 THR 76 -11.167 13.298 5.287 599 2HG2 THR 76 HG22 THR 76 -12.281 12.530 6.418 600 3HG2 THR 76 HG23 THR 76 -12.892 13.657 5.207 601 H ASP 77 HN ASP 77 -14.200 11.746 2.192 602 HA ASP 77 HA ASP 77 -16.783 12.818 2.343 603 1HB ASP 77 HB2 ASP 77 -15.770 14.650 3.596 604 2HB ASP 77 HB1 ASP 77 -14.575 14.893 2.329 605 H THR 78 HN THR 78 -13.832 13.900 0.635 606 HA THR 78 HA THR 78 -15.274 13.447 -1.881 607 HB THR 78 HB THR 78 -14.292 15.722 -1.363 608 HG1 THR 78 HG1 THR 78 -12.978 15.274 -3.645 609 1HG2 THR 78 HG21 THR 78 -11.895 16.031 -1.773 610 2HG2 THR 78 HG22 THR 78 -11.693 14.285 -1.914 611 3HG2 THR 78 HG23 THR 78 -12.179 14.994 -0.375 612 H TYR 79 HN TYR 79 -13.057 11.915 0.054 613 HA TYR 79 HA TYR 79 -12.163 10.286 -2.183 614 1HB TYR 79 HB2 TYR 79 -9.835 10.246 -1.391 615 2HB TYR 79 HB1 TYR 79 -10.331 11.854 -1.894 616 HD1 TYR 79 HD1 TYR 79 -10.478 13.661 -0.304 617 HD2 TYR 79 HD2 TYR 79 -9.421 9.743 0.972 618 HE1 TYR 79 HE1 TYR 79 -9.707 14.576 1.843 619 HE2 TYR 79 HE2 TYR 79 -8.647 10.649 3.126 620 HH TYR 79 HH TYR 79 -7.874 12.756 4.067 621 H ALA 80 HN ALA 80 -11.764 8.193 -1.716 622 HA ALA 80 HA ALA 80 -12.471 7.292 0.986 623 1HB ALA 80 HB1 ALA 80 -13.918 6.448 -0.805 624 2HB ALA 80 HB2 ALA 80 -13.000 5.141 -0.058 625 3HB ALA 80 HB3 ALA 80 -12.511 5.778 -1.628 626 H GLN 81 HN GLN 81 -10.854 6.604 2.199 627 HA GLN 81 HA GLN 81 -8.295 5.998 0.928 628 1HB GLN 81 HB2 GLN 81 -9.126 6.999 3.596 629 2HB GLN 81 HB1 GLN 81 -7.691 5.984 3.539 630 1HG GLN 81 HG2 GLN 81 -6.636 7.492 1.987 631 2HG GLN 81 HG1 GLN 81 -8.098 8.476 1.907 632 1HE2 GLN 81 HE21 GLN 81 -5.291 9.026 2.798 633 2HE2 GLN 81 HE22 GLN 81 -5.461 9.708 4.375 634 H GLU 82 HN GLU 82 -8.116 3.931 0.396 635 HA GLU 82 HA GLU 82 -9.067 1.841 2.172 636 1HB GLU 82 HB2 GLU 82 -9.157 1.605 -0.323 637 2HB GLU 82 HB1 GLU 82 -7.400 1.622 -0.353 638 1HG GLU 82 HG2 GLU 82 -7.477 -0.406 1.141 639 2HG GLU 82 HG1 GLU 82 -9.211 -0.463 0.831 640 H ASN 83 HN ASN 83 -7.801 2.506 3.996 641 HA ASN 83 HA ASN 83 -4.914 2.435 3.788 642 1HB ASN 83 HB2 ASN 83 -5.995 4.032 5.322 643 2HB ASN 83 HB1 ASN 83 -6.701 2.697 6.221 644 1HD2 ASN 83 HD21 ASN 83 -3.437 2.781 4.911 645 2HD2 ASN 83 HD22 ASN 83 -2.635 2.775 6.439 646 H VAL 84 HN VAL 84 -4.065 0.479 3.463 647 HA VAL 84 HA VAL 84 -5.218 -1.768 5.004 648 HB VAL 84 HB VAL 84 -3.648 -1.956 2.428 649 1HG1 VAL 84 HG11 VAL 84 -3.502 -3.944 3.826 650 2HG1 VAL 84 HG12 VAL 84 -4.476 -4.260 2.389 651 3HG1 VAL 84 HG13 VAL 84 -5.260 -4.001 3.948 652 1HG2 VAL 84 HG21 VAL 84 -6.631 -2.146 2.862 653 2HG2 VAL 84 HG22 VAL 84 -5.785 -2.443 1.342 654 3HG2 VAL 84 HG23 VAL 84 -5.784 -0.827 2.050 655 H THR 85 HN THR 85 -3.976 -2.816 6.402 656 HA THR 85 HA THR 85 -1.093 -2.199 6.442 657 HB THR 85 HB THR 85 -2.776 -3.258 8.709 658 HG1 THR 85 HG1 THR 85 -3.384 -1.099 7.882 659 1HG2 THR 85 HG21 THR 85 -0.356 -3.603 8.927 660 2HG2 THR 85 HG22 THR 85 -0.993 -2.485 10.133 661 3HG2 THR 85 HG23 THR 85 -0.105 -1.866 8.737 662 H ILE 86 HN ILE 86 -0.109 -3.830 5.325 663 HA ILE 86 HA ILE 86 -1.011 -6.585 5.813 664 HB ILE 86 HB ILE 86 0.939 -5.706 3.679 665 1HG1 ILE 86 HG12 ILE 86 -1.240 -6.240 2.227 666 2HG1 ILE 86 HG11 ILE 86 -2.042 -5.669 3.687 667 1HG2 ILE 86 HG21 ILE 86 1.029 -8.058 4.254 668 2HG2 ILE 86 HG22 ILE 86 0.346 -7.845 2.642 669 3HG2 ILE 86 HG23 ILE 86 -0.711 -8.206 4.007 670 1HD1 ILE 86 HD11 ILE 86 -1.742 -3.878 2.060 671 2HD1 ILE 86 HD12 ILE 86 0.004 -4.130 2.096 672 3HD1 ILE 86 HD13 ILE 86 -0.836 -3.562 3.538 673 H ASP 87 HN ASP 87 0.041 -7.381 7.553 674 HA ASP 87 HA ASP 87 2.759 -6.815 8.165 675 1HB ASP 87 HB2 ASP 87 0.892 -9.009 9.068 676 2HB ASP 87 HB1 ASP 87 2.560 -8.905 9.621 677 H MET 88 HN MET 88 4.422 -7.406 6.957 678 HA MET 88 HA MET 88 4.206 -9.626 5.113 679 1HB MET 88 HB2 MET 88 6.366 -7.593 5.641 680 2HB MET 88 HB1 MET 88 6.600 -8.945 4.545 681 1HG MET 88 HG2 MET 88 4.679 -8.163 3.218 682 2HG MET 88 HG1 MET 88 4.542 -6.768 4.287 683 1HE MET 88 HE1 MET 88 4.655 -5.254 2.055 684 2HE MET 88 HE2 MET 88 4.899 -6.683 1.049 685 3HE MET 88 HE3 MET 88 5.998 -5.308 0.913 686 H GLU 89 HN GLU 89 4.638 -9.579 8.249 687 HA GLU 89 HA GLU 89 6.917 -11.299 8.543 688 1HB GLU 89 HB2 GLU 89 4.674 -10.678 10.477 689 2HB GLU 89 HB1 GLU 89 6.168 -11.512 10.880 690 1HG GLU 89 HG2 GLU 89 7.429 -9.487 10.273 691 2HG GLU 89 HG1 GLU 89 5.904 -8.658 9.958 692 H LYS 90 HN LYS 90 3.497 -11.601 8.058 693 HA LYS 90 HA LYS 90 3.793 -14.470 7.652 694 1HB LYS 90 HB2 LYS 90 3.053 -14.212 9.998 695 2HB LYS 90 HB1 LYS 90 1.669 -13.286 9.451 696 1HG LYS 90 HG2 LYS 90 0.987 -15.312 8.116 697 2HG LYS 90 HG1 LYS 90 2.236 -16.199 8.994 698 1HD LYS 90 HD2 LYS 90 1.164 -15.679 11.102 699 2HD LYS 90 HD1 LYS 90 -0.045 -14.697 10.274 700 1HE LYS 90 HE2 LYS 90 -0.819 -16.692 9.070 701 2HE LYS 90 HE1 LYS 90 0.375 -17.663 9.934 702 1HZ LYS 90 HZ1 LYS 90 -1.733 -17.884 11.008 703 2HZ LYS 90 HZ2 LYS 90 -1.927 -16.209 11.120 704 3HZ LYS 90 HZ3 LYS 90 -0.718 -16.984 12.022 705 H VAL 91 HN VAL 91 3.585 -13.582 5.432 706 HA VAL 91 HA VAL 91 0.883 -12.674 4.750 707 HB VAL 91 HB VAL 91 2.899 -13.171 2.625 708 1HG1 VAL 91 HG11 VAL 91 0.868 -10.996 3.084 709 2HG1 VAL 91 HG12 VAL 91 0.686 -12.400 2.033 710 3HG1 VAL 91 HG13 VAL 91 1.886 -11.164 1.653 711 1HG2 VAL 91 HG21 VAL 91 3.969 -11.020 2.943 712 2HG2 VAL 91 HG22 VAL 91 4.246 -12.083 4.323 713 3HG2 VAL 91 HG23 VAL 91 3.065 -10.776 4.439 714 H ASP 92 HN ASP 92 -0.628 -14.081 3.991 715 HA ASP 92 HA ASP 92 0.232 -16.665 2.975 716 1HB ASP 92 HB2 ASP 92 -1.996 -16.222 4.203 717 2HB ASP 92 HB1 ASP 92 -2.545 -15.511 2.689 718 H PHE 93 HN PHE 93 1.591 -16.008 1.310 719 HA PHE 93 HA PHE 93 0.985 -14.025 -0.581 720 1HB PHE 93 HB2 PHE 93 3.016 -16.186 -0.375 721 2HB PHE 93 HB1 PHE 93 2.795 -15.409 -1.935 722 HD1 PHE 93 HD1 PHE 93 4.039 -15.063 1.457 723 HD2 PHE 93 HD2 PHE 93 3.341 -13.054 -2.228 724 HE1 PHE 93 HE1 PHE 93 5.556 -13.258 2.158 725 HE2 PHE 93 HE2 PHE 93 4.851 -11.242 -1.529 726 HZ PHE 93 HZ PHE 93 5.964 -11.343 0.665 727 H LYS 94 HN LYS 94 0.009 -17.328 -0.386 728 HA LYS 94 HA LYS 94 -0.662 -17.613 -3.150 729 1HB LYS 94 HB2 LYS 94 -1.639 -19.139 -0.732 730 2HB LYS 94 HB1 LYS 94 -1.975 -19.583 -2.401 731 1HG LYS 94 HG2 LYS 94 0.550 -19.660 -2.713 732 2HG LYS 94 HG1 LYS 94 0.649 -19.613 -0.952 733 1HD LYS 94 HD2 LYS 94 0.730 -21.907 -1.689 734 2HD LYS 94 HD1 LYS 94 -0.807 -21.620 -0.867 735 1HE LYS 94 HE2 LYS 94 -1.919 -21.357 -3.023 736 2HE LYS 94 HE1 LYS 94 -0.384 -21.609 -3.855 737 1HZ LYS 94 HZ1 LYS 94 -0.290 -23.836 -2.888 738 2HZ LYS 94 HZ2 LYS 94 -1.678 -23.623 -3.842 739 3HZ LYS 94 HZ3 LYS 94 -1.799 -23.589 -2.151 740 H ALA 95 HN ALA 95 -2.465 -16.716 -0.225 741 HA ALA 95 HA ALA 95 -4.910 -16.201 -1.618 742 1HB ALA 95 HB1 ALA 95 -4.868 -16.653 0.791 743 2HB ALA 95 HB2 ALA 95 -5.627 -15.100 0.440 744 3HB ALA 95 HB3 ALA 95 -3.975 -15.156 1.057 745 H LEU 96 HN LEU 96 -1.989 -14.462 -1.020 746 HA LEU 96 HA LEU 96 -2.789 -11.820 -1.470 747 1HB LEU 96 HB2 LEU 96 -0.526 -12.664 -0.706 748 2HB LEU 96 HB1 LEU 96 -0.189 -13.044 -2.384 749 HG LEU 96 HG LEU 96 -0.761 -10.521 -2.779 750 1HD1 LEU 96 HD11 LEU 96 -0.116 -9.113 -0.885 751 2HD1 LEU 96 HD12 LEU 96 0.015 -10.550 0.130 752 3HD1 LEU 96 HD13 LEU 96 -1.552 -10.073 -0.529 753 1HD2 LEU 96 HD21 LEU 96 1.811 -11.407 -1.478 754 2HD2 LEU 96 HD22 LEU 96 1.591 -9.956 -2.458 755 3HD2 LEU 96 HD23 LEU 96 1.412 -11.551 -3.190 756 H GLN 97 HN GLN 97 -2.351 -14.486 -3.639 757 HA GLN 97 HA GLN 97 -2.067 -13.047 -6.054 758 1HB GLN 97 HB2 GLN 97 -2.898 -15.859 -5.406 759 2HB GLN 97 HB1 GLN 97 -2.891 -15.264 -7.062 760 1HG GLN 97 HG2 GLN 97 -0.514 -15.296 -5.215 761 2HG GLN 97 HG1 GLN 97 -0.840 -16.472 -6.490 762 1HE2 GLN 97 HE21 GLN 97 -0.663 -15.842 -8.643 763 2HE2 GLN 97 HE22 GLN 97 0.196 -14.416 -9.112 764 H GLY 98 HN GLY 98 -4.688 -13.205 -4.019 765 1HA GLY 98 HA2 GLY 98 -6.701 -13.010 -6.101 766 2HA GLY 98 HA1 GLY 98 -6.964 -12.840 -4.371 767 H ILE 99 HN ILE 99 -4.577 -10.907 -4.397 768 HA ILE 99 HA ILE 99 -6.074 -8.567 -5.397 769 HB ILE 99 HB ILE 99 -5.299 -7.293 -3.432 770 1HG1 ILE 99 HG12 ILE 99 -4.423 -9.973 -2.327 771 2HG1 ILE 99 HG11 ILE 99 -3.320 -8.757 -2.963 772 1HG2 ILE 99 HG21 ILE 99 -6.888 -9.764 -2.751 773 2HG2 ILE 99 HG22 ILE 99 -7.527 -8.265 -3.424 774 3HG2 ILE 99 HG23 ILE 99 -6.839 -8.279 -1.800 775 1HD1 ILE 99 HD11 ILE 99 -3.400 -8.690 -0.544 776 2HD1 ILE 99 HD12 ILE 99 -5.142 -8.422 -0.594 777 3HD1 ILE 99 HD13 ILE 99 -4.044 -7.199 -1.232 778 H SER 100 HN SER 100 -3.404 -10.251 -5.998 779 HA SER 100 HA SER 100 -1.397 -8.233 -5.716 780 1HB SER 100 HB2 SER 100 0.003 -9.875 -7.084 781 2HB SER 100 HB1 SER 100 -0.581 -10.434 -5.518 782 HG SER 100 HG SER 100 -0.949 -12.032 -7.037 783 H GLY 101 HN GLY 101 -2.559 -6.563 -6.862 784 1HA GLY 101 HA2 GLY 101 -2.329 -6.735 -9.785 785 2HA GLY 101 HA1 GLY 101 -3.147 -5.465 -8.884 786 H ILE 102 HN ILE 102 0.058 -6.825 -8.466 787 HA ILE 102 HA ILE 102 1.222 -4.210 -8.197 788 HB ILE 102 HB ILE 102 2.618 -6.895 -8.272 789 1HG1 ILE 102 HG12 ILE 102 1.606 -5.341 -5.878 790 2HG1 ILE 102 HG11 ILE 102 0.860 -6.799 -6.525 791 1HG2 ILE 102 HG21 ILE 102 4.384 -5.740 -7.026 792 2HG2 ILE 102 HG22 ILE 102 3.478 -4.232 -7.149 793 3HG2 ILE 102 HG23 ILE 102 4.112 -5.002 -8.604 794 1HD1 ILE 102 HD11 ILE 102 3.631 -6.610 -5.365 795 2HD1 ILE 102 HD12 ILE 102 2.864 -8.070 -5.990 796 3HD1 ILE 102 HD13 ILE 102 2.209 -7.273 -4.559 797 H ASN 103 HN ASN 103 1.244 -3.136 -10.133 798 HA ASN 103 HA ASN 103 2.099 -4.513 -12.524 799 1HB ASN 103 HB2 ASN 103 1.087 -1.735 -12.007 800 2HB ASN 103 HB1 ASN 103 1.831 -2.157 -13.547 801 1HD2 ASN 103 HD21 ASN 103 0.856 -3.782 -14.828 802 2HD2 ASN 103 HD22 ASN 103 -0.829 -4.144 -14.666 803 H VAL 104 HN VAL 104 4.178 -5.053 -11.963 804 HA VAL 104 HA VAL 104 6.066 -3.197 -13.004 805 HB VAL 104 HB VAL 104 6.175 -2.399 -10.714 806 1HG1 VAL 104 HG11 VAL 104 5.291 -4.333 -9.546 807 2HG1 VAL 104 HG12 VAL 104 6.841 -3.852 -8.856 808 3HG1 VAL 104 HG13 VAL 104 6.749 -5.251 -9.926 809 1HG2 VAL 104 HG21 VAL 104 8.555 -4.117 -11.396 810 2HG2 VAL 104 HG22 VAL 104 8.550 -2.786 -10.240 811 3HG2 VAL 104 HG23 VAL 104 8.261 -2.470 -11.951 812 H SER 105 HN SER 105 5.589 -6.166 -11.198 813 HA SER 105 HA SER 105 6.293 -7.837 -13.334 814 1HB SER 105 HB2 SER 105 8.346 -8.862 -12.296 815 2HB SER 105 HB1 SER 105 8.596 -7.226 -12.901 816 HG SER 105 HG SER 105 9.297 -6.829 -10.965 817 H ALA 106 HN ALA 106 6.125 -10.127 -12.678 818 HA ALA 106 HA ALA 106 4.431 -10.399 -10.301 819 1HB ALA 106 HB1 ALA 106 3.845 -12.598 -11.202 820 2HB ALA 106 HB2 ALA 106 4.992 -12.366 -12.523 821 3HB ALA 106 HB3 ALA 106 3.574 -11.326 -12.394 822 H GLU 107 HN GLU 107 7.578 -10.895 -11.377 823 HA GLU 107 HA GLU 107 8.294 -13.197 -9.886 824 1HB GLU 107 HB2 GLU 107 9.967 -10.983 -11.081 825 2HB GLU 107 HB1 GLU 107 10.622 -12.473 -10.406 826 1HG GLU 107 HG2 GLU 107 9.710 -13.783 -12.098 827 2HG GLU 107 HG1 GLU 107 8.563 -12.535 -12.578 828 H ASP 108 HN ASP 108 8.027 -9.833 -9.086 829 HA ASP 108 HA ASP 108 9.702 -9.718 -6.839 830 1HB ASP 108 HB2 ASP 108 8.909 -7.666 -7.771 831 2HB ASP 108 HB1 ASP 108 7.233 -8.180 -7.661 832 H ALA 109 HN ALA 109 6.220 -10.303 -7.120 833 HA ALA 109 HA ALA 109 5.784 -10.878 -4.397 834 1HB ALA 109 HB1 ALA 109 3.613 -11.715 -5.108 835 2HB ALA 109 HB2 ALA 109 4.156 -11.740 -6.785 836 3HB ALA 109 HB3 ALA 109 3.996 -10.205 -5.934 837 H LYS 110 HN LYS 110 6.493 -12.957 -7.182 838 HA LYS 110 HA LYS 110 6.010 -15.409 -5.846 839 1HB LYS 110 HB2 LYS 110 7.748 -14.839 -8.254 840 2HB LYS 110 HB1 LYS 110 7.280 -16.443 -7.710 841 1HG LYS 110 HG2 LYS 110 4.906 -15.814 -8.077 842 2HG LYS 110 HG1 LYS 110 5.464 -14.283 -8.757 843 1HD LYS 110 HD2 LYS 110 6.771 -15.559 -10.435 844 2HD LYS 110 HD1 LYS 110 6.078 -17.049 -9.794 845 1HE LYS 110 HE2 LYS 110 3.815 -16.124 -10.312 846 2HE LYS 110 HE1 LYS 110 4.611 -14.770 -11.111 847 1HZ LYS 110 HZ1 LYS 110 5.715 -16.406 -12.583 848 2HZ LYS 110 HZ2 LYS 110 4.026 -16.398 -12.739 849 3HZ LYS 110 HZ3 LYS 110 4.785 -17.636 -11.869 850 H LYS 111 HN LYS 111 8.912 -13.447 -6.273 851 HA LYS 111 HA LYS 111 10.706 -15.380 -5.181 852 1HB LYS 111 HB2 LYS 111 10.859 -12.738 -6.312 853 2HB LYS 111 HB1 LYS 111 11.805 -12.814 -4.834 854 1HG LYS 111 HG2 LYS 111 13.181 -13.314 -6.751 855 2HG LYS 111 HG1 LYS 111 13.027 -14.735 -5.717 856 1HD LYS 111 HD2 LYS 111 11.502 -15.766 -7.212 857 2HD LYS 111 HD1 LYS 111 11.295 -14.274 -8.136 858 1HE LYS 111 HE2 LYS 111 13.894 -15.782 -7.892 859 2HE LYS 111 HE1 LYS 111 12.768 -15.957 -9.237 860 1HZ LYS 111 HZ1 LYS 111 13.207 -13.852 -10.004 861 2HZ LYS 111 HZ2 LYS 111 14.735 -14.304 -9.427 862 3HZ LYS 111 HZ3 LYS 111 13.751 -13.280 -8.506 863 H GLY 112 HN GLY 112 8.695 -12.883 -3.860 864 1HA GLY 112 HA2 GLY 112 8.139 -12.800 -1.532 865 2HA GLY 112 HA1 GLY 112 9.712 -13.511 -1.172 866 H ILE 113 HN ILE 113 7.986 -10.719 -1.102 867 HA ILE 113 HA ILE 113 9.763 -8.829 -2.162 868 HB ILE 113 HB ILE 113 7.459 -8.604 -0.251 869 1HG1 ILE 113 HG12 ILE 113 6.531 -7.212 -2.075 870 2HG1 ILE 113 HG11 ILE 113 8.012 -7.439 -2.993 871 1HG2 ILE 113 HG21 ILE 113 7.750 -6.148 -0.286 872 2HG2 ILE 113 HG22 ILE 113 9.315 -6.374 -1.071 873 3HG2 ILE 113 HG23 ILE 113 9.053 -6.983 0.563 874 1HD1 ILE 113 HD11 ILE 113 7.530 -9.876 -3.033 875 2HD1 ILE 113 HD12 ILE 113 6.358 -8.880 -3.892 876 3HD1 ILE 113 HD13 ILE 113 5.965 -9.526 -2.292 877 H THR 114 HN THR 114 11.592 -8.112 -1.495 878 HA THR 114 HA THR 114 12.238 -8.095 1.372 879 HB THR 114 HB THR 114 14.686 -8.239 0.101 880 HG1 THR 114 HG1 THR 114 12.823 -9.973 -1.198 881 1HG2 THR 114 HG21 THR 114 14.790 -10.533 0.982 882 2HG2 THR 114 HG22 THR 114 13.042 -10.518 1.217 883 3HG2 THR 114 HG23 THR 114 14.066 -9.425 2.148 884 H MET 115 HN MET 115 14.250 -6.516 1.650 885 HA MET 115 HA MET 115 13.302 -3.969 0.834 886 1HB MET 115 HB2 MET 115 14.624 -4.458 2.928 887 2HB MET 115 HB1 MET 115 16.054 -4.584 1.910 888 1HG MET 115 HG2 MET 115 15.914 -2.393 2.928 889 2HG MET 115 HG1 MET 115 15.741 -2.279 1.176 890 1HE MET 115 HE1 MET 115 13.424 0.605 2.452 891 2HE MET 115 HE2 MET 115 14.766 0.180 1.390 892 3HE MET 115 HE3 MET 115 14.963 0.089 3.141 893 H ALA 116 HN ALA 116 15.983 -6.016 -0.219 894 HA ALA 116 HA ALA 116 17.150 -4.366 -2.114 895 1HB ALA 116 HB1 ALA 116 16.723 -7.346 -2.317 896 2HB ALA 116 HB2 ALA 116 18.052 -6.553 -1.472 897 3HB ALA 116 HB3 ALA 116 17.906 -6.403 -3.223 898 H GLN 117 HN GLN 117 14.448 -6.660 -2.572 899 HA GLN 117 HA GLN 117 13.911 -5.963 -5.227 900 1HB GLN 117 HB2 GLN 117 12.221 -7.215 -3.093 901 2HB GLN 117 HB1 GLN 117 11.493 -6.722 -4.619 902 1HG GLN 117 HG2 GLN 117 13.288 -8.048 -5.764 903 2HG GLN 117 HG1 GLN 117 13.684 -8.720 -4.185 904 1HE2 GLN 117 HE21 GLN 117 10.728 -8.580 -3.530 905 2HE2 GLN 117 HE22 GLN 117 10.048 -9.952 -4.322 906 H MET 118 HN MET 118 12.075 -4.888 -2.350 907 HA MET 118 HA MET 118 10.398 -3.116 -3.465 908 1HB MET 118 HB2 MET 118 11.813 -3.123 -0.859 909 2HB MET 118 HB1 MET 118 10.949 -1.657 -1.310 910 1HG MET 118 HG2 MET 118 9.739 -4.412 -1.247 911 2HG MET 118 HG1 MET 118 9.598 -3.212 0.040 912 1HE MET 118 HE1 MET 118 7.358 -4.805 -2.003 913 2HE MET 118 HE2 MET 118 6.109 -3.559 -2.017 914 3HE MET 118 HE3 MET 118 6.903 -3.995 -0.503 915 H GLU 119 HN GLU 119 13.736 -2.188 -2.544 916 HA GLU 119 HA GLU 119 13.494 0.478 -3.369 917 1HB GLU 119 HB2 GLU 119 15.962 -1.257 -3.241 918 2HB GLU 119 HB1 GLU 119 15.969 0.494 -3.405 919 1HG GLU 119 HG2 GLU 119 14.851 -1.055 -1.080 920 2HG GLU 119 HG1 GLU 119 16.387 -0.194 -1.109 921 H LEU 120 HN LEU 120 14.831 -2.319 -5.184 922 HA LEU 120 HA LEU 120 15.359 -0.699 -7.507 923 1HB LEU 120 HB2 LEU 120 15.278 -3.699 -7.185 924 2HB LEU 120 HB1 LEU 120 15.872 -2.855 -8.604 925 HG LEU 120 HG LEU 120 17.074 -2.708 -5.837 926 1HD1 LEU 120 HD11 LEU 120 18.940 -3.935 -6.835 927 2HD1 LEU 120 HD12 LEU 120 18.048 -4.060 -8.352 928 3HD1 LEU 120 HD13 LEU 120 17.444 -4.865 -6.903 929 1HD2 LEU 120 HD21 LEU 120 17.340 -0.617 -7.062 930 2HD2 LEU 120 HD22 LEU 120 17.985 -1.497 -8.447 931 3HD2 LEU 120 HD23 LEU 120 18.880 -1.466 -6.928 932 H VAL 121 HN VAL 121 12.704 -2.495 -6.346 933 HA VAL 121 HA VAL 121 11.399 -2.928 -8.865 934 HB VAL 121 HB VAL 121 10.710 -3.472 -5.984 935 1HG1 VAL 121 HG11 VAL 121 8.600 -2.848 -6.995 936 2HG1 VAL 121 HG12 VAL 121 8.673 -4.589 -6.700 937 3HG1 VAL 121 HG13 VAL 121 8.901 -3.961 -8.333 938 1HG2 VAL 121 HG21 VAL 121 11.109 -5.240 -8.389 939 2HG2 VAL 121 HG22 VAL 121 10.680 -5.800 -6.771 940 3HG2 VAL 121 HG23 VAL 121 12.236 -5.012 -7.051 941 H MET 122 HN MET 122 11.009 -0.742 -6.083 942 HA MET 122 HA MET 122 8.812 0.708 -7.108 943 1HB MET 122 HB2 MET 122 11.080 1.689 -5.356 944 2HB MET 122 HB1 MET 122 9.600 2.577 -5.669 945 1HG MET 122 HG2 MET 122 9.857 -0.031 -4.193 946 2HG MET 122 HG1 MET 122 9.520 1.550 -3.496 947 1HE MET 122 HE1 MET 122 8.139 -1.053 -6.166 948 2HE MET 122 HE2 MET 122 6.581 -1.351 -5.398 949 3HE MET 122 HE3 MET 122 8.074 -1.706 -4.529 950 H LYS 123 HN LYS 123 12.298 1.032 -7.485 951 HA LYS 123 HA LYS 123 12.310 3.353 -9.078 952 1HB LYS 123 HB2 LYS 123 14.267 2.222 -7.883 953 2HB LYS 123 HB1 LYS 123 14.322 1.110 -9.240 954 1HG LYS 123 HG2 LYS 123 15.967 2.827 -9.556 955 2HG LYS 123 HG1 LYS 123 14.685 3.033 -10.753 956 1HD LYS 123 HD2 LYS 123 13.711 4.826 -9.489 957 2HD LYS 123 HD1 LYS 123 14.821 4.542 -8.147 958 1HE LYS 123 HE2 LYS 123 15.510 6.476 -9.464 959 2HE LYS 123 HE1 LYS 123 16.703 5.183 -9.560 960 1HZ LYS 123 HZ1 LYS 123 15.931 4.602 -11.726 961 2HZ LYS 123 HZ2 LYS 123 16.213 6.276 -11.709 962 3HZ LYS 123 HZ3 LYS 123 14.626 5.683 -11.624 963 H ALA 124 HN ALA 124 12.068 -0.077 -9.868 964 HA ALA 124 HA ALA 124 12.313 0.135 -12.660 965 1HB ALA 124 HB1 ALA 124 12.538 -1.980 -11.462 966 2HB ALA 124 HB2 ALA 124 11.320 -2.096 -12.732 967 3HB ALA 124 HB3 ALA 124 10.824 -1.935 -11.048 968 H ALA 125 HN ALA 125 9.416 0.055 -10.586 969 HA ALA 125 HA ALA 125 7.591 0.370 -12.754 970 1HB ALA 125 HB1 ALA 125 7.173 0.914 -9.817 971 2HB ALA 125 HB2 ALA 125 6.921 -0.634 -10.625 972 3HB ALA 125 HB3 ALA 125 5.908 0.751 -11.034 973 H GLY 126 HN GLY 126 9.320 2.559 -10.662 974 1HA GLY 126 HA2 GLY 126 9.798 4.800 -11.254 975 2HA GLY 126 HA1 GLY 126 8.395 4.793 -12.314 976 H PHE 127 HN PHE 127 8.504 3.710 -8.976 977 HA PHE 127 HA PHE 127 6.379 5.551 -8.283 978 1HB PHE 127 HB2 PHE 127 7.842 3.455 -6.666 979 2HB PHE 127 HB1 PHE 127 6.534 4.449 -6.036 980 HD1 PHE 127 HD1 PHE 127 4.529 4.467 -8.044 981 HD2 PHE 127 HD2 PHE 127 7.127 1.296 -6.928 982 HE1 PHE 127 HE1 PHE 127 2.872 2.837 -8.846 983 HE2 PHE 127 HE2 PHE 127 5.480 -0.344 -7.733 984 HZ PHE 127 HZ PHE 127 3.348 0.426 -8.694 985 H LYS 128 HN LYS 128 6.547 7.160 -6.674 986 HA LYS 128 HA LYS 128 9.272 8.226 -6.504 987 1HB LYS 128 HB2 LYS 128 7.592 9.591 -7.695 988 2HB LYS 128 HB1 LYS 128 6.634 9.669 -6.224 989 1HG LYS 128 HG2 LYS 128 8.244 10.996 -5.129 990 2HG LYS 128 HG1 LYS 128 9.461 10.672 -6.366 991 1HD LYS 128 HD2 LYS 128 6.897 12.211 -6.776 992 2HD LYS 128 HD1 LYS 128 8.507 12.917 -6.604 993 1HE LYS 128 HE2 LYS 128 9.246 11.797 -8.622 994 2HE LYS 128 HE1 LYS 128 7.691 10.981 -8.771 995 1HZ LYS 128 HZ1 LYS 128 7.889 12.908 -10.238 996 2HZ LYS 128 HZ2 LYS 128 8.087 13.921 -8.889 997 3HZ LYS 128 HZ3 LYS 128 6.624 13.090 -9.121 998 H GLU 129 HN GLU 129 10.261 8.329 -4.635 999 HA GLU 129 HA GLU 129 9.041 7.350 -2.257 1000 1HB GLU 129 HB2 GLU 129 11.705 8.719 -2.639 1001 2HB GLU 129 HB1 GLU 129 11.204 7.841 -1.204 1002 1HG GLU 129 HG2 GLU 129 11.056 5.786 -2.547 1003 2HG GLU 129 HG1 GLU 129 11.647 6.689 -3.944 1004 H VAL 130 HN VAL 130 8.438 8.420 -0.434 1005 HA VAL 130 HA VAL 130 8.338 11.349 -0.575 1006 HB VAL 130 HB VAL 130 6.874 9.473 1.302 1007 1HG1 VAL 130 HG11 VAL 130 5.555 11.440 1.915 1008 2HG1 VAL 130 HG12 VAL 130 6.564 12.443 0.873 1009 3HG1 VAL 130 HG13 VAL 130 7.262 11.667 2.294 1010 1HG2 VAL 130 HG21 VAL 130 4.875 10.061 0.004 1011 2HG2 VAL 130 HG22 VAL 130 6.081 9.228 -0.978 1012 3HG2 VAL 130 HG23 VAL 130 5.883 10.975 -1.118 1013 H LYS 131 HN LYS 131 9.516 8.621 1.259 1014 HA LYS 131 HA LYS 131 10.968 8.377 2.983 1015 1HB LYS 131 HB2 LYS 131 11.929 11.048 1.953 1016 2HB LYS 131 HB1 LYS 131 12.746 10.154 3.226 1017 1HG LYS 131 HG2 LYS 131 12.992 8.252 1.609 1018 2HG LYS 131 HG1 LYS 131 12.372 9.327 0.355 1019 1HD LYS 131 HD2 LYS 131 14.210 10.868 0.723 1020 2HD LYS 131 HD1 LYS 131 14.808 9.877 2.052 1021 1HE LYS 131 HE2 LYS 131 16.147 9.420 0.126 1022 2HE LYS 131 HE1 LYS 131 15.131 8.013 0.429 1023 1HZ LYS 131 HZ1 LYS 131 15.254 8.644 -1.934 1024 2HZ LYS 131 HZ2 LYS 131 14.523 10.129 -1.567 1025 3HZ LYS 131 HZ3 LYS 131 13.675 8.683 -1.332 1026 H LEU 132 HN LEU 132 8.382 9.667 3.397 1027 HA LEU 132 HA LEU 132 7.130 10.606 5.024 1028 1HB LEU 132 HB2 LEU 132 9.646 10.423 6.683 1029 2HB LEU 132 HB1 LEU 132 8.048 10.790 7.303 1030 HG LEU 132 HG LEU 132 8.914 8.184 6.045 1031 1HD1 LEU 132 HD11 LEU 132 8.195 8.884 8.888 1032 2HD1 LEU 132 HD12 LEU 132 9.811 8.521 8.280 1033 3HD1 LEU 132 HD13 LEU 132 8.569 7.270 8.282 1034 1HD2 LEU 132 HD21 LEU 132 6.254 8.977 7.226 1035 2HD2 LEU 132 HD22 LEU 132 6.705 7.360 6.687 1036 3HD2 LEU 132 HD23 LEU 132 6.586 8.676 5.520 1037 H GLU 133 HN GLU 133 6.637 12.554 4.249 1038 HA GLU 133 HA GLU 133 8.513 14.773 4.716 1039 1HB GLU 133 HB2 GLU 133 7.236 14.005 2.381 1040 2HB GLU 133 HB1 GLU 133 6.213 15.303 2.974 1041 1HG GLU 133 HG2 GLU 133 9.169 15.483 2.431 1042 2HG GLU 133 HG1 GLU 133 7.881 16.137 1.422 1043 H HIS 134 HN HIS 134 7.143 16.933 4.927 1044 HA HIS 134 HA HIS 134 5.831 18.221 6.237 1045 1HB HIS 134 HB2 HIS 134 3.977 15.875 5.855 1046 2HB HIS 134 HB1 HIS 134 3.508 17.289 6.789 1047 HD1 HIS 134 HD1 HIS 134 5.539 17.771 3.665 1048 HD2 HIS 134 HD2 HIS 134 1.562 17.964 4.899 1049 HE1 HIS 134 HE1 HIS 134 4.292 18.886 1.789 1050 HE2 HIS 134 HE2 HIS 134 1.907 19.071 2.583 1051 H HIS 135 HN HIS 135 7.696 17.561 7.698 1052 HA HIS 135 HA HIS 135 7.087 15.782 9.877 1053 1HB HIS 135 HB2 HIS 135 9.357 17.731 9.441 1054 2HB HIS 135 HB1 HIS 135 9.237 16.667 10.834 1055 HD1 HIS 135 HD1 HIS 135 11.688 16.027 9.644 1056 HD2 HIS 135 HD2 HIS 135 8.191 14.643 7.858 1057 HE1 HIS 135 HE1 HIS 135 12.382 14.105 8.179 1058 HE2 HIS 135 HE2 HIS 135 10.286 13.423 6.964 1059 H HIS 136 HN HIS 136 6.699 16.295 11.995 1060 HA HIS 136 HA HIS 136 6.135 17.461 13.847 1061 1HB HIS 136 HB2 HIS 136 8.317 18.540 13.365 1062 2HB HIS 136 HB1 HIS 136 7.475 19.785 12.457 1063 HD1 HIS 136 HD1 HIS 136 8.115 21.711 13.918 1064 HD2 HIS 136 HD2 HIS 136 6.293 18.615 16.023 1065 HE1 HIS 136 HE1 HIS 136 7.651 22.629 16.222 1066 HE2 HIS 136 HE2 HIS 136 6.483 20.764 17.456 1067 H HIS 137 HN HIS 137 5.867 20.438 12.028 1068 HA HIS 137 HA HIS 137 3.042 20.220 11.556 1069 1HB HIS 137 HB2 HIS 137 4.037 21.636 13.970 1070 2HB HIS 137 HB1 HIS 137 2.822 22.478 13.021 1071 HD1 HIS 137 HD1 HIS 137 0.497 21.174 12.718 1072 HD2 HIS 137 HD2 HIS 137 3.069 19.719 15.645 1073 HE1 HIS 137 HE1 HIS 137 -0.925 19.743 14.225 1074 HE2 HIS 137 HE2 HIS 137 0.608 19.096 16.118 1075 H HIS 138 HN HIS 138 4.860 23.093 12.455 1076 HA HIS 138 HA HIS 138 4.342 24.374 9.941 1077 1HB HIS 138 HB2 HIS 138 4.648 25.422 12.321 1078 2HB HIS 138 HB1 HIS 138 6.365 25.329 11.958 1079 HD1 HIS 138 HD1 HIS 138 3.607 27.558 11.745 1080 HD2 HIS 138 HD2 HIS 138 6.927 26.782 9.360 1081 HE1 HIS 138 HE1 HIS 138 3.883 29.590 10.283 1082 HE2 HIS 138 HE2 HIS 138 6.010 29.177 8.993 1083 H HIS 139 HN HIS 139 7.383 23.728 11.640 1084 HA HIS 139 HA HIS 139 8.470 22.226 9.446 1085 1HB HIS 139 HB2 HIS 139 9.603 24.926 10.195 1086 2HB HIS 139 HB1 HIS 139 10.628 23.662 9.531 1087 HD1 HIS 139 HD1 HIS 139 9.805 22.773 7.061 1088 HD2 HIS 139 HD2 HIS 139 8.427 26.487 8.335 1089 HE1 HIS 139 HE1 HIS 139 9.038 23.964 4.985 1090 HE2 HIS 139 HE2 HIS 139 8.440 26.289 5.756 Start of MODEL 19 1 1H MET 1 HT1 MET 1 18.300 -6.332 23.700 2 2H MET 1 HT2 MET 1 18.375 -4.648 23.878 3 3H MET 1 HT3 MET 1 19.576 -5.462 22.997 4 HA MET 1 HA MET 1 17.922 -6.130 21.358 5 1HB MET 1 HB2 MET 1 15.963 -6.057 22.843 6 2HB MET 1 HB1 MET 1 16.120 -4.311 22.975 7 1HG MET 1 HG2 MET 1 15.763 -4.171 20.508 8 2HG MET 1 HG1 MET 1 15.404 -5.896 20.524 9 1HE MET 1 HE1 MET 1 14.296 -2.334 21.718 10 2HE MET 1 HE2 MET 1 14.498 -3.190 23.246 11 3HE MET 1 HE3 MET 1 12.889 -2.705 22.714 12 H GLY 2 HN GLY 2 19.241 -5.132 19.940 13 1HA GLY 2 HA2 GLY 2 19.409 -2.200 19.966 14 2HA GLY 2 HA1 GLY 2 20.436 -3.288 19.038 15 H ASP 3 HN ASP 3 17.087 -2.181 19.317 16 HA ASP 3 HA ASP 3 16.584 -3.029 16.567 17 1HB ASP 3 HB2 ASP 3 15.042 -3.435 18.669 18 2HB ASP 3 HB1 ASP 3 14.494 -1.798 18.330 19 H LYS 4 HN LYS 4 14.845 -1.405 15.547 20 HA LYS 4 HA LYS 4 15.408 1.380 15.886 21 1HB LYS 4 HB2 LYS 4 17.388 1.021 14.643 22 2HB LYS 4 HB1 LYS 4 16.613 -0.135 13.574 23 1HG LYS 4 HG2 LYS 4 17.084 1.951 12.424 24 2HG LYS 4 HG1 LYS 4 15.349 1.661 12.519 25 1HD LYS 4 HD2 LYS 4 15.243 3.207 14.455 26 2HD LYS 4 HD1 LYS 4 16.962 3.548 14.238 27 1HE LYS 4 HE2 LYS 4 16.527 4.407 12.001 28 2HE LYS 4 HE1 LYS 4 14.817 4.013 12.164 29 1HZ LYS 4 HZ1 LYS 4 15.135 6.334 12.580 30 2HZ LYS 4 HZ2 LYS 4 16.332 6.028 13.737 31 3HZ LYS 4 HZ3 LYS 4 14.724 5.586 14.046 32 H GLU 5 HN GLU 5 14.495 -0.842 13.280 33 HA GLU 5 HA GLU 5 12.615 -1.163 12.082 34 1HB GLU 5 HB2 GLU 5 11.727 -1.094 14.593 35 2HB GLU 5 HB1 GLU 5 10.897 0.336 13.993 36 1HG GLU 5 HG2 GLU 5 9.736 -0.913 12.359 37 2HG GLU 5 HG1 GLU 5 10.750 -2.328 12.620 38 H GLU 6 HN GLU 6 12.315 -0.140 10.238 39 HA GLU 6 HA GLU 6 12.367 2.804 10.287 40 1HB GLU 6 HB2 GLU 6 13.323 0.952 8.097 41 2HB GLU 6 HB1 GLU 6 13.474 2.704 8.122 42 1HG GLU 6 HG2 GLU 6 14.970 2.566 10.030 43 2HG GLU 6 HG1 GLU 6 14.791 0.811 10.056 44 H SER 7 HN SER 7 11.042 3.924 8.829 45 HA SER 7 HA SER 7 9.004 2.321 7.451 46 1HB SER 7 HB2 SER 7 7.341 4.096 8.117 47 2HB SER 7 HB1 SER 7 7.942 3.118 9.457 48 HG SER 7 HG SER 7 9.168 5.569 8.767 49 H LYS 8 HN LYS 8 8.990 2.769 5.347 50 HA LYS 8 HA LYS 8 9.689 5.512 4.526 51 1HB LYS 8 HB2 LYS 8 11.459 3.878 3.914 52 2HB LYS 8 HB1 LYS 8 10.272 2.976 2.980 53 1HG LYS 8 HG2 LYS 8 9.931 4.961 1.556 54 2HG LYS 8 HG1 LYS 8 11.190 5.798 2.461 55 1HD LYS 8 HD2 LYS 8 11.559 3.256 0.877 56 2HD LYS 8 HD1 LYS 8 12.031 4.870 0.349 57 1HE LYS 8 HE2 LYS 8 13.507 4.999 2.370 58 2HE LYS 8 HE1 LYS 8 13.140 3.301 2.669 59 1HZ LYS 8 HZ1 LYS 8 14.058 2.773 0.470 60 2HZ LYS 8 HZ2 LYS 8 15.209 3.519 1.473 61 3HZ LYS 8 HZ3 LYS 8 14.455 4.409 0.245 62 H LYS 9 HN LYS 9 8.030 6.531 3.655 63 HA LYS 9 HA LYS 9 5.864 4.973 2.442 64 1HB LYS 9 HB2 LYS 9 5.258 6.603 4.216 65 2HB LYS 9 HB1 LYS 9 5.925 7.896 3.226 66 1HG LYS 9 HG2 LYS 9 4.265 7.238 1.449 67 2HG LYS 9 HG1 LYS 9 3.516 6.191 2.653 68 1HD LYS 9 HD2 LYS 9 2.279 8.192 2.714 69 2HD LYS 9 HD1 LYS 9 3.345 8.266 4.119 70 1HE LYS 9 HE2 LYS 9 4.875 9.712 2.910 71 2HE LYS 9 HE1 LYS 9 3.883 9.586 1.458 72 1HZ LYS 9 HZ1 LYS 9 2.041 10.582 2.826 73 2HZ LYS 9 HZ2 LYS 9 3.328 11.622 2.474 74 3HZ LYS 9 HZ3 LYS 9 3.202 10.926 4.015 75 H PHE 10 HN PHE 10 5.905 4.786 0.271 76 HA PHE 10 HA PHE 10 6.848 7.132 -1.240 77 1HB PHE 10 HB2 PHE 10 7.335 5.775 -3.078 78 2HB PHE 10 HB1 PHE 10 7.793 4.749 -1.728 79 HD1 PHE 10 HD1 PHE 10 5.245 5.351 -4.312 80 HD2 PHE 10 HD2 PHE 10 6.685 2.681 -1.332 81 HE1 PHE 10 HE1 PHE 10 3.788 3.585 -5.200 82 HE2 PHE 10 HE2 PHE 10 5.229 0.907 -2.218 83 HZ PHE 10 HZ PHE 10 3.773 1.361 -4.154 84 H SER 11 HN SER 11 5.430 8.026 -2.843 85 HA SER 11 HA SER 11 2.713 6.997 -2.860 86 1HB SER 11 HB2 SER 11 2.797 8.508 -0.897 87 2HB SER 11 HB1 SER 11 3.296 9.824 -1.948 88 HG SER 11 HG SER 11 1.024 8.535 -2.785 89 H ALA 12 HN ALA 12 2.265 6.845 -4.922 90 HA ALA 12 HA ALA 12 2.894 9.137 -6.662 91 1HB ALA 12 HB1 ALA 12 2.978 7.562 -8.542 92 2HB ALA 12 HB2 ALA 12 2.676 6.221 -7.436 93 3HB ALA 12 HB3 ALA 12 4.171 7.146 -7.311 94 H ASN 13 HN ASN 13 1.100 10.220 -7.222 95 HA ASN 13 HA ASN 13 -1.466 8.871 -7.014 96 1HB ASN 13 HB2 ASN 13 -2.456 11.116 -7.439 97 2HB ASN 13 HB1 ASN 13 -1.420 11.061 -6.022 98 1HD2 ASN 13 HD21 ASN 13 -2.288 13.293 -7.695 99 2HD2 ASN 13 HD22 ASN 13 -0.840 14.070 -8.233 100 H LEU 14 HN LEU 14 -1.976 7.659 -8.636 101 HA LEU 14 HA LEU 14 -1.151 8.447 -11.337 102 1HB LEU 14 HB2 LEU 14 -2.318 5.770 -10.893 103 2HB LEU 14 HB1 LEU 14 -0.934 6.244 -11.857 104 HG LEU 14 HG LEU 14 0.083 6.635 -9.391 105 1HD1 LEU 14 HD11 LEU 14 -1.931 5.893 -8.254 106 2HD1 LEU 14 HD12 LEU 14 -0.592 4.789 -7.943 107 3HD1 LEU 14 HD13 LEU 14 -1.851 4.345 -9.094 108 1HD2 LEU 14 HD21 LEU 14 -0.007 3.985 -10.824 109 2HD2 LEU 14 HD22 LEU 14 1.190 4.486 -9.627 110 3HD2 LEU 14 HD23 LEU 14 1.096 5.315 -11.180 111 H ASN 15 HN ASN 15 -2.749 9.878 -11.837 112 HA ASN 15 HA ASN 15 -4.699 10.594 -12.719 113 1HB ASN 15 HB2 ASN 15 -4.320 8.638 -14.211 114 2HB ASN 15 HB1 ASN 15 -5.304 7.659 -13.129 115 1HD2 ASN 15 HD21 ASN 15 -6.771 7.216 -14.761 116 2HD2 ASN 15 HD22 ASN 15 -7.914 8.393 -15.317 117 H GLY 16 HN GLY 16 -4.982 11.081 -10.315 118 1HA GLY 16 HA2 GLY 16 -6.629 11.569 -8.776 119 2HA GLY 16 HA1 GLY 16 -7.754 10.646 -9.759 120 H THR 17 HN THR 17 -4.919 8.986 -8.820 121 HA THR 17 HA THR 17 -6.268 7.797 -6.498 122 HB THR 17 HB THR 17 -4.776 6.154 -8.551 123 HG1 THR 17 HG1 THR 17 -6.639 6.887 -9.558 124 1HG2 THR 17 HG21 THR 17 -4.887 5.193 -6.303 125 2HG2 THR 17 HG22 THR 17 -5.877 4.269 -7.432 126 3HG2 THR 17 HG23 THR 17 -6.640 5.386 -6.301 127 H GLU 18 HN GLU 18 -4.945 8.447 -4.876 128 HA GLU 18 HA GLU 18 -2.065 8.590 -5.345 129 1HB GLU 18 HB2 GLU 18 -3.261 9.235 -2.695 130 2HB GLU 18 HB1 GLU 18 -1.906 9.982 -3.519 131 1HG GLU 18 HG2 GLU 18 -3.399 11.148 -5.010 132 2HG GLU 18 HG1 GLU 18 -4.790 10.326 -4.296 133 H ILE 19 HN ILE 19 -1.263 6.511 -5.274 134 HA ILE 19 HA ILE 19 -1.963 4.862 -2.972 135 HB ILE 19 HB ILE 19 -0.109 4.242 -5.281 136 1HG1 ILE 19 HG12 ILE 19 -2.939 3.375 -4.663 137 2HG1 ILE 19 HG11 ILE 19 -2.420 4.380 -6.010 138 1HG2 ILE 19 HG21 ILE 19 -0.164 1.937 -4.439 139 2HG2 ILE 19 HG22 ILE 19 -1.123 2.468 -3.057 140 3HG2 ILE 19 HG23 ILE 19 0.534 3.043 -3.256 141 1HD1 ILE 19 HD11 ILE 19 -1.688 1.492 -5.590 142 2HD1 ILE 19 HD12 ILE 19 -1.205 2.496 -6.956 143 3HD1 ILE 19 HD13 ILE 19 -2.907 2.098 -6.710 144 H ALA 20 HN ALA 20 -1.001 5.404 -1.162 145 HA ALA 20 HA ALA 20 1.888 5.974 -1.241 146 1HB ALA 20 HB1 ALA 20 1.209 6.923 1.167 147 2HB ALA 20 HB2 ALA 20 -0.313 7.184 0.315 148 3HB ALA 20 HB3 ALA 20 1.171 7.900 -0.298 149 H ILE 21 HN ILE 21 2.936 4.197 -0.736 150 HA ILE 21 HA ILE 21 1.798 2.400 1.279 151 HB ILE 21 HB ILE 21 4.016 1.891 -0.709 152 1HG1 ILE 21 HG12 ILE 21 1.152 0.915 -0.572 153 2HG1 ILE 21 HG11 ILE 21 1.830 2.003 -1.777 154 1HG2 ILE 21 HG21 ILE 21 4.381 0.655 1.351 155 2HG2 ILE 21 HG22 ILE 21 3.895 -0.440 0.057 156 3HG2 ILE 21 HG23 ILE 21 2.730 0.036 1.292 157 1HD1 ILE 21 HD11 ILE 21 3.265 0.201 -2.591 158 2HD1 ILE 21 HD12 ILE 21 1.558 -0.232 -2.670 159 3HD1 ILE 21 HD13 ILE 21 2.576 -0.886 -1.386 160 H THR 22 HN THR 22 2.438 2.840 3.232 161 HA THR 22 HA THR 22 5.171 3.769 3.743 162 HB THR 22 HB THR 22 3.001 3.406 5.808 163 HG1 THR 22 HG1 THR 22 2.662 4.917 3.784 164 1HG2 THR 22 HG21 THR 22 5.278 3.792 6.625 165 2HG2 THR 22 HG22 THR 22 4.240 5.173 6.977 166 3HG2 THR 22 HG23 THR 22 5.390 5.251 5.641 167 H TYR 23 HN TYR 23 6.306 1.815 3.418 168 HA TYR 23 HA TYR 23 5.372 -0.483 4.936 169 1HB TYR 23 HB2 TYR 23 7.293 -1.681 3.762 170 2HB TYR 23 HB1 TYR 23 5.936 -1.162 2.776 171 HD1 TYR 23 HD1 TYR 23 6.234 0.374 0.993 172 HD2 TYR 23 HD2 TYR 23 9.456 -0.440 3.647 173 HE1 TYR 23 HE1 TYR 23 7.785 1.492 -0.553 174 HE2 TYR 23 HE2 TYR 23 11.012 0.684 2.112 175 HH TYR 23 HH TYR 23 11.115 1.209 -0.353 176 H VAL 24 HN VAL 24 6.116 -1.069 6.775 177 HA VAL 24 HA VAL 24 8.478 0.204 7.900 178 HB VAL 24 HB VAL 24 6.388 -1.619 9.109 179 1HG1 VAL 24 HG11 VAL 24 8.838 -0.444 10.426 180 2HG1 VAL 24 HG12 VAL 24 8.537 -2.155 10.121 181 3HG1 VAL 24 HG13 VAL 24 7.524 -1.270 11.263 182 1HG2 VAL 24 HG21 VAL 24 5.853 0.343 10.462 183 2HG2 VAL 24 HG22 VAL 24 5.711 0.704 8.741 184 3HG2 VAL 24 HG23 VAL 24 7.123 1.257 9.647 185 H TYR 25 HN TYR 25 10.380 -0.703 7.819 186 HA TYR 25 HA TYR 25 10.564 -3.600 7.393 187 1HB TYR 25 HB2 TYR 25 12.431 -3.183 5.798 188 2HB TYR 25 HB1 TYR 25 10.877 -2.596 5.221 189 HD1 TYR 25 HD1 TYR 25 10.392 -0.084 5.480 190 HD2 TYR 25 HD2 TYR 25 14.283 -1.756 5.884 191 HE1 TYR 25 HE1 TYR 25 11.378 2.126 5.056 192 HE2 TYR 25 HE2 TYR 25 15.278 0.453 5.468 193 HH TYR 25 HH TYR 25 13.742 3.261 5.715 194 H LYS 26 HN LYS 26 12.529 -4.548 8.068 195 HA LYS 26 HA LYS 26 14.215 -2.868 9.788 196 1HB LYS 26 HB2 LYS 26 12.405 -4.265 11.031 197 2HB LYS 26 HB1 LYS 26 13.425 -5.643 10.640 198 1HG LYS 26 HG2 LYS 26 15.259 -4.706 11.873 199 2HG LYS 26 HG1 LYS 26 14.360 -3.209 12.142 200 1HD LYS 26 HD2 LYS 26 13.568 -5.934 13.176 201 2HD LYS 26 HD1 LYS 26 14.346 -4.664 14.125 202 1HE LYS 26 HE2 LYS 26 12.409 -3.183 13.576 203 2HE LYS 26 HE1 LYS 26 11.625 -4.575 12.833 204 1HZ LYS 26 HZ1 LYS 26 12.482 -4.426 15.675 205 2HZ LYS 26 HZ2 LYS 26 11.618 -5.698 14.948 206 3HZ LYS 26 HZ3 LYS 26 10.896 -4.169 15.122 207 H GLY 27 HN GLY 27 16.095 -2.929 8.734 208 1HA GLY 27 HA2 GLY 27 18.005 -3.824 7.785 209 2HA GLY 27 HA1 GLY 27 17.378 -5.433 8.126 210 H ASP 28 HN ASP 28 17.023 -6.594 6.370 211 HA ASP 28 HA ASP 28 16.227 -5.204 3.895 212 1HB ASP 28 HB2 ASP 28 18.309 -6.556 3.786 213 2HB ASP 28 HB1 ASP 28 17.388 -7.982 4.242 214 H LYS 29 HN LYS 29 14.944 -6.759 6.452 215 HA LYS 29 HA LYS 29 12.925 -8.286 4.994 216 1HB LYS 29 HB2 LYS 29 14.126 -8.776 7.381 217 2HB LYS 29 HB1 LYS 29 12.700 -7.920 7.928 218 1HG LYS 29 HG2 LYS 29 12.733 -10.429 6.262 219 2HG LYS 29 HG1 LYS 29 12.327 -10.307 7.973 220 1HD LYS 29 HD2 LYS 29 10.439 -8.802 7.339 221 2HD LYS 29 HD1 LYS 29 10.806 -9.138 5.647 222 1HE LYS 29 HE2 LYS 29 10.031 -11.181 7.729 223 2HE LYS 29 HE1 LYS 29 8.972 -10.535 6.478 224 1HZ LYS 29 HZ1 LYS 29 11.401 -12.195 6.069 225 2HZ LYS 29 HZ2 LYS 29 10.524 -11.469 4.813 226 3HZ LYS 29 HZ3 LYS 29 9.795 -12.652 5.784 227 H VAL 30 HN VAL 30 11.328 -7.047 4.152 228 HA VAL 30 HA VAL 30 10.292 -4.757 5.565 229 HB VAL 30 HB VAL 30 9.000 -6.201 3.243 230 1HG1 VAL 30 HG11 VAL 30 8.734 -3.388 4.293 231 2HG1 VAL 30 HG12 VAL 30 7.532 -4.672 4.415 232 3HG1 VAL 30 HG13 VAL 30 7.956 -4.008 2.837 233 1HG2 VAL 30 HG21 VAL 30 11.278 -5.582 2.626 234 2HG2 VAL 30 HG22 VAL 30 10.986 -3.929 3.167 235 3HG2 VAL 30 HG23 VAL 30 10.104 -4.571 1.782 236 H LEU 31 HN LEU 31 8.713 -4.804 7.068 237 HA LEU 31 HA LEU 31 7.751 -7.486 7.755 238 1HB LEU 31 HB2 LEU 31 8.109 -5.021 9.454 239 2HB LEU 31 HB1 LEU 31 7.455 -6.543 10.037 240 HG LEU 31 HG LEU 31 10.215 -6.257 8.847 241 1HD1 LEU 31 HD11 LEU 31 9.415 -6.365 11.748 242 2HD1 LEU 31 HD12 LEU 31 10.076 -4.963 10.905 243 3HD1 LEU 31 HD13 LEU 31 11.063 -6.411 11.119 244 1HD2 LEU 31 HD21 LEU 31 10.584 -8.446 9.873 245 2HD2 LEU 31 HD22 LEU 31 9.282 -8.493 8.685 246 3HD2 LEU 31 HD23 LEU 31 8.905 -8.475 10.409 247 H LYS 32 HN LYS 32 6.627 -4.135 7.416 248 HA LYS 32 HA LYS 32 3.913 -5.220 7.101 249 1HB LYS 32 HB2 LYS 32 4.592 -2.750 8.716 250 2HB LYS 32 HB1 LYS 32 2.971 -3.334 8.369 251 1HG LYS 32 HG2 LYS 32 3.411 -5.356 9.652 252 2HG LYS 32 HG1 LYS 32 5.053 -4.800 9.978 253 1HD LYS 32 HD2 LYS 32 3.721 -4.317 11.903 254 2HD LYS 32 HD1 LYS 32 4.069 -2.791 11.091 255 1HE LYS 32 HE2 LYS 32 1.750 -2.858 11.801 256 2HE LYS 32 HE1 LYS 32 1.850 -2.859 10.041 257 1HZ LYS 32 HZ1 LYS 32 1.378 -5.175 9.992 258 2HZ LYS 32 HZ2 LYS 32 0.212 -4.461 10.993 259 3HZ LYS 32 HZ3 LYS 32 1.514 -5.319 11.671 260 H GLN 33 HN GLN 33 2.983 -4.541 5.289 261 HA GLN 33 HA GLN 33 4.085 -2.153 3.967 262 1HB GLN 33 HB2 GLN 33 4.256 -4.139 2.602 263 2HB GLN 33 HB1 GLN 33 2.558 -4.511 2.846 264 1HG GLN 33 HG2 GLN 33 1.993 -2.409 1.649 265 2HG GLN 33 HG1 GLN 33 3.709 -2.197 1.305 266 1HE2 GLN 33 HE21 GLN 33 1.453 -2.546 -0.519 267 2HE2 GLN 33 HE22 GLN 33 1.830 -3.933 -1.476 268 H SER 34 HN SER 34 2.891 -0.538 4.922 269 HA SER 34 HA SER 34 0.010 -0.756 5.000 270 1HB SER 34 HB2 SER 34 1.750 1.638 5.647 271 2HB SER 34 HB1 SER 34 0.061 1.403 6.100 272 HG SER 34 HG SER 34 1.315 0.839 7.851 273 H SER 35 HN SER 35 -0.671 -0.864 2.924 274 HA SER 35 HA SER 35 0.218 1.157 1.005 275 1HB SER 35 HB2 SER 35 0.315 -1.229 0.334 276 2HB SER 35 HB1 SER 35 -1.423 -1.363 0.595 277 HG SER 35 HG SER 35 -1.793 -0.058 -1.131 278 H GLU 36 HN GLU 36 -0.961 2.973 1.337 279 HA GLU 36 HA GLU 36 -3.849 2.685 1.746 280 1HB GLU 36 HB2 GLU 36 -2.069 5.085 2.099 281 2HB GLU 36 HB1 GLU 36 -3.781 5.027 2.480 282 1HG GLU 36 HG2 GLU 36 -3.271 3.245 4.137 283 2HG GLU 36 HG1 GLU 36 -1.556 3.508 3.814 284 H THR 37 HN THR 37 -4.925 2.639 -0.094 285 HA THR 37 HA THR 37 -4.032 4.226 -2.369 286 HB THR 37 HB THR 37 -6.389 2.342 -2.234 287 HG1 THR 37 HG1 THR 37 -5.021 0.748 -2.276 288 1HG2 THR 37 HG21 THR 37 -6.420 3.832 -4.148 289 2HG2 THR 37 HG22 THR 37 -6.054 2.183 -4.657 290 3HG2 THR 37 HG23 THR 37 -4.763 3.378 -4.545 291 H LYS 38 HN LYS 38 -4.581 6.320 -2.093 292 HA LYS 38 HA LYS 38 -7.144 7.118 -1.012 293 1HB LYS 38 HB2 LYS 38 -5.103 8.434 -0.565 294 2HB LYS 38 HB1 LYS 38 -4.955 8.762 -2.284 295 1HG LYS 38 HG2 LYS 38 -5.986 10.673 -1.709 296 2HG LYS 38 HG1 LYS 38 -7.432 9.680 -1.890 297 1HD LYS 38 HD2 LYS 38 -7.618 10.874 0.170 298 2HD LYS 38 HD1 LYS 38 -7.296 9.183 0.559 299 1HE LYS 38 HE2 LYS 38 -5.018 9.650 1.062 300 2HE LYS 38 HE1 LYS 38 -5.142 11.277 0.396 301 1HZ LYS 38 HZ1 LYS 38 -6.631 11.878 2.185 302 2HZ LYS 38 HZ2 LYS 38 -5.179 11.277 2.820 303 3HZ LYS 38 HZ3 LYS 38 -6.568 10.304 2.817 304 H ILE 39 HN ILE 39 -8.827 6.676 -2.310 305 HA ILE 39 HA ILE 39 -8.552 7.146 -5.197 306 HB ILE 39 HB ILE 39 -10.745 5.664 -3.732 307 1HG1 ILE 39 HG12 ILE 39 -8.429 4.462 -5.258 308 2HG1 ILE 39 HG11 ILE 39 -8.424 4.665 -3.509 309 1HG2 ILE 39 HG21 ILE 39 -11.262 4.747 -5.947 310 2HG2 ILE 39 HG22 ILE 39 -9.992 5.746 -6.654 311 3HG2 ILE 39 HG23 ILE 39 -11.406 6.505 -5.921 312 1HD1 ILE 39 HD11 ILE 39 -9.028 2.402 -4.141 313 2HD1 ILE 39 HD12 ILE 39 -10.386 3.017 -5.086 314 3HD1 ILE 39 HD13 ILE 39 -10.370 3.213 -3.333 315 H GLN 40 HN GLN 40 -9.249 9.099 -5.851 316 HA GLN 40 HA GLN 40 -11.259 10.586 -4.465 317 1HB GLN 40 HB2 GLN 40 -9.858 10.904 -7.098 318 2HB GLN 40 HB1 GLN 40 -11.284 11.869 -6.753 319 1HG GLN 40 HG2 GLN 40 -9.439 13.204 -6.188 320 2HG GLN 40 HG1 GLN 40 -10.112 12.642 -4.661 321 1HE2 GLN 40 HE21 GLN 40 -8.922 11.251 -3.386 322 2HE2 GLN 40 HE22 GLN 40 -7.252 10.918 -3.677 323 H PHE 41 HN PHE 41 -13.419 10.885 -5.003 324 HA PHE 41 HA PHE 41 -14.726 8.572 -5.933 325 1HB PHE 41 HB2 PHE 41 -15.652 11.318 -5.185 326 2HB PHE 41 HB1 PHE 41 -16.778 10.174 -5.909 327 HD1 PHE 41 HD1 PHE 41 -14.504 8.236 -4.173 328 HD2 PHE 41 HD2 PHE 41 -17.742 10.917 -3.505 329 HE1 PHE 41 HE1 PHE 41 -14.902 7.205 -1.977 330 HE2 PHE 41 HE2 PHE 41 -18.140 9.890 -1.307 331 HZ PHE 41 HZ PHE 41 -16.720 8.032 -0.540 332 H ALA 42 HN ALA 42 -13.420 11.161 -7.684 333 HA ALA 42 HA ALA 42 -15.237 11.265 -9.850 334 1HB ALA 42 HB1 ALA 42 -12.303 11.957 -9.796 335 2HB ALA 42 HB2 ALA 42 -13.630 13.047 -9.397 336 3HB ALA 42 HB3 ALA 42 -13.457 12.432 -11.042 337 H SER 43 HN SER 43 -12.538 9.165 -9.091 338 HA SER 43 HA SER 43 -12.392 8.112 -11.782 339 1HB SER 43 HB2 SER 43 -10.964 7.213 -9.267 340 2HB SER 43 HB1 SER 43 -10.568 6.733 -10.918 341 HG SER 43 HG SER 43 -9.250 8.462 -10.095 342 H ILE 44 HN ILE 44 -14.001 7.334 -8.831 343 HA ILE 44 HA ILE 44 -14.530 4.600 -9.740 344 HB ILE 44 HB ILE 44 -13.746 4.778 -7.456 345 1HG1 ILE 44 HG12 ILE 44 -16.693 4.094 -7.527 346 2HG1 ILE 44 HG11 ILE 44 -15.380 3.008 -7.968 347 1HG2 ILE 44 HG21 ILE 44 -15.031 5.929 -5.725 348 2HG2 ILE 44 HG22 ILE 44 -16.145 6.526 -6.954 349 3HG2 ILE 44 HG23 ILE 44 -14.459 7.042 -6.969 350 1HD1 ILE 44 HD11 ILE 44 -15.863 4.176 -5.236 351 2HD1 ILE 44 HD12 ILE 44 -14.549 3.084 -5.675 352 3HD1 ILE 44 HD13 ILE 44 -16.219 2.524 -5.743 353 H GLY 45 HN GLY 45 -16.063 7.686 -9.338 354 1HA GLY 45 HA2 GLY 45 -18.097 8.350 -10.274 355 2HA GLY 45 HA1 GLY 45 -18.468 6.664 -10.604 356 H ALA 46 HN ALA 46 -17.476 7.961 -7.510 357 HA ALA 46 HA ALA 46 -20.007 7.006 -6.370 358 1HB ALA 46 HB1 ALA 46 -17.332 7.543 -5.080 359 2HB ALA 46 HB2 ALA 46 -18.030 5.964 -5.439 360 3HB ALA 46 HB3 ALA 46 -18.774 7.002 -4.224 361 H THR 47 HN THR 47 -21.231 8.338 -5.004 362 HA THR 47 HA THR 47 -20.592 11.191 -5.238 363 HB THR 47 HB THR 47 -22.958 11.586 -4.594 364 HG1 THR 47 HG1 THR 47 -23.124 8.731 -4.762 365 1HG2 THR 47 HG21 THR 47 -22.558 9.753 -6.960 366 2HG2 THR 47 HG22 THR 47 -22.336 11.503 -6.949 367 3HG2 THR 47 HG23 THR 47 -23.943 10.818 -6.710 368 H THR 48 HN THR 48 -21.324 8.687 -2.846 369 HA THR 48 HA THR 48 -20.383 10.505 -0.760 370 HB THR 48 HB THR 48 -22.199 9.630 0.770 371 HG1 THR 48 HG1 THR 48 -22.918 8.375 -1.590 372 1HG2 THR 48 HG21 THR 48 -23.055 11.321 -1.579 373 2HG2 THR 48 HG22 THR 48 -22.274 11.898 -0.107 374 3HG2 THR 48 HG23 THR 48 -23.898 11.213 -0.035 375 H LYS 49 HN LYS 49 -20.434 9.080 1.420 376 HA LYS 49 HA LYS 49 -18.346 7.249 1.076 377 1HB LYS 49 HB2 LYS 49 -18.639 6.723 3.447 378 2HB LYS 49 HB1 LYS 49 -18.697 8.454 3.159 379 1HG LYS 49 HG2 LYS 49 -21.132 8.404 3.319 380 2HG LYS 49 HG1 LYS 49 -21.077 6.662 3.594 381 1HD LYS 49 HD2 LYS 49 -21.332 7.880 5.694 382 2HD LYS 49 HD1 LYS 49 -19.791 7.023 5.639 383 1HE LYS 49 HE2 LYS 49 -19.535 9.277 6.554 384 2HE LYS 49 HE1 LYS 49 -18.643 9.080 5.045 385 1HZ LYS 49 HZ1 LYS 49 -20.404 10.230 3.873 386 2HZ LYS 49 HZ2 LYS 49 -19.835 11.192 5.144 387 3HZ LYS 49 HZ3 LYS 49 -21.312 10.371 5.298 388 H GLU 50 HN GLU 50 -21.829 6.719 1.242 389 HA GLU 50 HA GLU 50 -21.653 3.914 1.637 390 1HB GLU 50 HB2 GLU 50 -23.900 5.591 0.529 391 2HB GLU 50 HB1 GLU 50 -24.030 3.873 0.881 392 1HG GLU 50 HG2 GLU 50 -23.275 4.497 3.241 393 2HG GLU 50 HG1 GLU 50 -23.665 6.153 2.777 394 H ASP 51 HN ASP 51 -21.828 5.930 -1.255 395 HA ASP 51 HA ASP 51 -22.099 3.967 -3.215 396 1HB ASP 51 HB2 ASP 51 -20.292 6.396 -3.328 397 2HB ASP 51 HB1 ASP 51 -20.882 5.487 -4.710 398 H ALA 52 HN ALA 52 -19.233 5.250 -1.647 399 HA ALA 52 HA ALA 52 -17.320 3.676 -2.968 400 1HB ALA 52 HB1 ALA 52 -15.789 4.446 -1.283 401 2HB ALA 52 HB2 ALA 52 -17.124 4.887 -0.217 402 3HB ALA 52 HB3 ALA 52 -16.869 5.773 -1.721 403 H ALA 53 HN ALA 53 -19.109 3.199 0.048 404 HA ALA 53 HA ALA 53 -17.794 0.831 0.847 405 1HB ALA 53 HB1 ALA 53 -19.681 0.487 2.336 406 2HB ALA 53 HB2 ALA 53 -20.612 1.707 1.466 407 3HB ALA 53 HB3 ALA 53 -19.169 2.174 2.366 408 H LYS 54 HN LYS 54 -20.767 1.375 -1.004 409 HA LYS 54 HA LYS 54 -21.577 -1.259 -1.367 410 1HB LYS 54 HB2 LYS 54 -21.881 1.188 -3.102 411 2HB LYS 54 HB1 LYS 54 -22.630 -0.349 -3.507 412 1HG LYS 54 HG2 LYS 54 -23.096 0.986 -0.863 413 2HG LYS 54 HG1 LYS 54 -24.052 1.378 -2.294 414 1HD LYS 54 HD2 LYS 54 -23.734 -1.391 -1.134 415 2HD LYS 54 HD1 LYS 54 -25.116 -0.329 -0.849 416 1HE LYS 54 HE2 LYS 54 -25.611 -0.310 -3.233 417 2HE LYS 54 HE1 LYS 54 -24.206 -1.326 -3.547 418 1HZ LYS 54 HZ1 LYS 54 -26.268 -2.602 -3.503 419 2HZ LYS 54 HZ2 LYS 54 -26.554 -2.111 -1.907 420 3HZ LYS 54 HZ3 LYS 54 -25.216 -3.090 -2.265 421 H THR 55 HN THR 55 -18.939 0.444 -2.776 422 HA THR 55 HA THR 55 -18.592 -1.573 -4.859 423 HB THR 55 HB THR 55 -17.044 0.976 -4.365 424 HG1 THR 55 HG1 THR 55 -19.359 1.093 -5.046 425 1HG2 THR 55 HG21 THR 55 -17.047 -0.905 -6.730 426 2HG2 THR 55 HG22 THR 55 -15.728 -0.688 -5.578 427 3HG2 THR 55 HG23 THR 55 -16.195 0.637 -6.645 428 H LEU 56 HN LEU 56 -16.790 -0.162 -2.102 429 HA LEU 56 HA LEU 56 -14.608 -2.007 -2.669 430 1HB LEU 56 HB2 LEU 56 -14.692 0.204 -0.631 431 2HB LEU 56 HB1 LEU 56 -13.279 -0.698 -1.151 432 HG LEU 56 HG LEU 56 -14.896 1.161 -2.900 433 1HD1 LEU 56 HD11 LEU 56 -12.173 1.503 -1.653 434 2HD1 LEU 56 HD12 LEU 56 -13.643 2.358 -1.186 435 3HD1 LEU 56 HD13 LEU 56 -12.942 2.617 -2.783 436 1HD2 LEU 56 HD21 LEU 56 -13.069 0.868 -4.503 437 2HD2 LEU 56 HD22 LEU 56 -13.892 -0.656 -4.172 438 3HD2 LEU 56 HD23 LEU 56 -12.324 -0.322 -3.437 439 H GLU 57 HN GLU 57 -17.282 -1.965 -0.542 440 HA GLU 57 HA GLU 57 -16.001 -3.390 1.575 441 1HB GLU 57 HB2 GLU 57 -18.908 -3.130 0.839 442 2HB GLU 57 HB1 GLU 57 -18.352 -4.077 2.213 443 1HG GLU 57 HG2 GLU 57 -17.177 -1.967 2.988 444 2HG GLU 57 HG1 GLU 57 -18.134 -1.120 1.777 445 HA PRO 58 HA PRO 58 -17.600 -7.285 -1.138 446 1HB PRO 58 HB2 PRO 58 -17.074 -5.770 -3.650 447 2HB PRO 58 HB1 PRO 58 -18.225 -7.073 -3.345 448 1HG PRO 58 HG2 PRO 58 -18.971 -4.482 -3.525 449 2HG PRO 58 HG1 PRO 58 -19.811 -5.656 -2.499 450 1HD PRO 58 HD2 PRO 58 -18.076 -3.405 -1.726 451 2HD PRO 58 HD1 PRO 58 -19.288 -4.279 -0.777 452 H LEU 59 HN LEU 59 -15.295 -4.719 -1.852 453 HA LEU 59 HA LEU 59 -13.247 -6.453 -2.841 454 1HB LEU 59 HB2 LEU 59 -13.454 -4.062 -3.472 455 2HB LEU 59 HB1 LEU 59 -13.022 -3.618 -1.832 456 HG LEU 59 HG LEU 59 -10.826 -4.745 -2.151 457 1HD1 LEU 59 HD11 LEU 59 -11.776 -4.980 -4.997 458 2HD1 LEU 59 HD12 LEU 59 -11.471 -6.315 -3.883 459 3HD1 LEU 59 HD13 LEU 59 -10.135 -5.301 -4.435 460 1HD2 LEU 59 HD21 LEU 59 -11.489 -2.585 -4.150 461 2HD2 LEU 59 HD22 LEU 59 -9.874 -3.007 -3.580 462 3HD2 LEU 59 HD23 LEU 59 -11.058 -2.335 -2.457 463 H SER 60 HN SER 60 -13.763 -4.721 0.240 464 HA SER 60 HA SER 60 -11.450 -5.753 1.493 465 1HB SER 60 HB2 SER 60 -12.783 -5.136 3.635 466 2HB SER 60 HB1 SER 60 -12.310 -3.848 2.528 467 HG SER 60 HG SER 60 -14.342 -3.592 1.913 468 H ALA 61 HN ALA 61 -14.484 -7.141 0.784 469 HA ALA 61 HA ALA 61 -14.445 -9.228 2.718 470 1HB ALA 61 HB1 ALA 61 -16.490 -8.588 1.537 471 2HB ALA 61 HB2 ALA 61 -16.128 -10.299 1.316 472 3HB ALA 61 HB3 ALA 61 -15.792 -9.152 0.019 473 H LYS 62 HN LYS 62 -12.292 -8.567 0.328 474 HA LYS 62 HA LYS 62 -11.727 -11.331 -0.385 475 1HB LYS 62 HB2 LYS 62 -10.208 -8.792 -1.023 476 2HB LYS 62 HB1 LYS 62 -9.820 -10.385 -1.647 477 1HG LYS 62 HG2 LYS 62 -12.388 -8.904 -2.184 478 2HG LYS 62 HG1 LYS 62 -11.001 -8.953 -3.270 479 1HD LYS 62 HD2 LYS 62 -12.229 -10.641 -4.179 480 2HD LYS 62 HD1 LYS 62 -11.339 -11.568 -2.971 481 1HE LYS 62 HE2 LYS 62 -13.620 -12.220 -2.819 482 2HE LYS 62 HE1 LYS 62 -13.265 -11.217 -1.415 483 1HZ LYS 62 HZ1 LYS 62 -14.304 -9.340 -2.554 484 2HZ LYS 62 HZ2 LYS 62 -15.388 -10.630 -2.379 485 3HZ LYS 62 HZ3 LYS 62 -14.668 -10.330 -3.881 486 H TYR 63 HN TYR 63 -10.357 -8.726 1.592 487 HA TYR 63 HA TYR 63 -8.099 -10.398 2.369 488 1HB TYR 63 HB2 TYR 63 -8.781 -7.551 3.121 489 2HB TYR 63 HB1 TYR 63 -7.318 -8.394 3.588 490 HD1 TYR 63 HD1 TYR 63 -9.178 -7.044 0.679 491 HD2 TYR 63 HD2 TYR 63 -5.460 -8.477 2.165 492 HE1 TYR 63 HE1 TYR 63 -8.054 -6.206 -1.341 493 HE2 TYR 63 HE2 TYR 63 -4.327 -7.650 0.154 494 HH TYR 63 HH TYR 63 -5.789 -5.506 -2.024 495 H LYS 64 HN LYS 64 -11.162 -10.361 3.403 496 HA LYS 64 HA LYS 64 -11.012 -9.597 6.084 497 1HB LYS 64 HB2 LYS 64 -13.193 -10.325 6.340 498 2HB LYS 64 HB1 LYS 64 -13.100 -9.975 4.628 499 1HG LYS 64 HG2 LYS 64 -13.007 -12.701 5.902 500 2HG LYS 64 HG1 LYS 64 -14.373 -11.986 5.051 501 1HD LYS 64 HD2 LYS 64 -13.096 -11.979 2.977 502 2HD LYS 64 HD1 LYS 64 -11.693 -12.639 3.826 503 1HE LYS 64 HE2 LYS 64 -14.369 -13.967 3.416 504 2HE LYS 64 HE1 LYS 64 -12.832 -14.430 2.689 505 1HZ LYS 64 HZ1 LYS 64 -11.996 -15.039 4.852 506 2HZ LYS 64 HZ2 LYS 64 -13.462 -15.844 4.575 507 3HZ LYS 64 HZ3 LYS 64 -13.418 -14.499 5.605 508 H ASN 65 HN ASN 65 -9.630 -10.336 7.437 509 HA ASN 65 HA ASN 65 -8.307 -11.668 8.687 510 1HB ASN 65 HB2 ASN 65 -10.648 -12.196 9.523 511 2HB ASN 65 HB1 ASN 65 -10.553 -13.677 8.573 512 1HD2 ASN 65 HD21 ASN 65 -9.301 -11.940 11.314 513 2HD2 ASN 65 HD22 ASN 65 -8.525 -13.289 12.066 514 H ILE 66 HN ILE 66 -7.155 -11.840 6.446 515 HA ILE 66 HA ILE 66 -6.870 -14.657 5.699 516 HB ILE 66 HB ILE 66 -5.391 -12.263 4.585 517 1HG1 ILE 66 HG12 ILE 66 -7.824 -13.723 3.541 518 2HG1 ILE 66 HG11 ILE 66 -7.738 -12.041 4.057 519 1HG2 ILE 66 HG21 ILE 66 -5.598 -15.105 3.592 520 2HG2 ILE 66 HG22 ILE 66 -4.172 -14.342 4.296 521 3HG2 ILE 66 HG23 ILE 66 -4.796 -13.780 2.745 522 1HD1 ILE 66 HD11 ILE 66 -6.319 -13.224 1.682 523 2HD1 ILE 66 HD12 ILE 66 -6.250 -11.538 2.198 524 3HD1 ILE 66 HD13 ILE 66 -7.774 -12.229 1.635 525 H ALA 67 HN ALA 67 -4.445 -12.153 6.064 526 HA ALA 67 HA ALA 67 -3.000 -13.829 8.011 527 1HB ALA 67 HB1 ALA 67 -0.917 -12.871 7.078 528 2HB ALA 67 HB2 ALA 67 -1.876 -12.032 5.857 529 3HB ALA 67 HB3 ALA 67 -1.828 -13.794 5.879 530 H GLY 68 HN GLY 68 -1.026 -11.588 8.247 531 1HA GLY 68 HA2 GLY 68 -2.423 -9.897 10.103 532 2HA GLY 68 HA1 GLY 68 -0.748 -9.722 9.586 533 H VAL 69 HN VAL 69 -3.830 -9.701 7.837 534 HA VAL 69 HA VAL 69 -2.935 -7.319 6.405 535 HB VAL 69 HB VAL 69 -4.885 -7.814 4.871 536 1HG1 VAL 69 HG11 VAL 69 -2.853 -10.038 5.148 537 2HG1 VAL 69 HG12 VAL 69 -2.575 -8.487 4.350 538 3HG1 VAL 69 HG13 VAL 69 -3.764 -9.613 3.697 539 1HG2 VAL 69 HG21 VAL 69 -5.853 -10.055 4.930 540 2HG2 VAL 69 HG22 VAL 69 -6.239 -9.150 6.395 541 3HG2 VAL 69 HG23 VAL 69 -4.988 -10.394 6.430 542 H GLU 70 HN GLU 70 -3.396 -5.573 7.560 543 HA GLU 70 HA GLU 70 -5.990 -5.339 8.896 544 1HB GLU 70 HB2 GLU 70 -3.672 -3.402 8.935 545 2HB GLU 70 HB1 GLU 70 -5.059 -3.407 10.005 546 1HG GLU 70 HG2 GLU 70 -4.321 -5.305 11.149 547 2HG GLU 70 HG1 GLU 70 -3.163 -5.721 9.887 548 H GLU 71 HN GLU 71 -7.564 -4.689 7.551 549 HA GLU 71 HA GLU 71 -6.923 -2.579 5.611 550 1HB GLU 71 HB2 GLU 71 -7.746 -4.786 4.717 551 2HB GLU 71 HB1 GLU 71 -9.274 -4.471 5.527 552 1HG GLU 71 HG2 GLU 71 -9.568 -2.449 4.193 553 2HG GLU 71 HG1 GLU 71 -8.035 -2.763 3.382 554 H LYS 72 HN LYS 72 -7.866 -0.675 5.804 555 HA LYS 72 HA LYS 72 -10.178 -0.389 7.595 556 1HB LYS 72 HB2 LYS 72 -7.975 0.216 8.704 557 2HB LYS 72 HB1 LYS 72 -7.835 1.521 7.535 558 1HG LYS 72 HG2 LYS 72 -8.697 2.420 9.566 559 2HG LYS 72 HG1 LYS 72 -9.999 2.417 8.374 560 1HD LYS 72 HD2 LYS 72 -10.892 0.362 9.345 561 2HD LYS 72 HD1 LYS 72 -9.580 0.344 10.527 562 1HE LYS 72 HE2 LYS 72 -10.370 2.494 11.410 563 2HE LYS 72 HE1 LYS 72 -11.695 2.475 10.248 564 1HZ LYS 72 HZ1 LYS 72 -12.456 0.384 11.270 565 2HZ LYS 72 HZ2 LYS 72 -12.474 1.687 12.355 566 3HZ LYS 72 HZ3 LYS 72 -11.238 0.530 12.444 567 H LEU 73 HN LEU 73 -11.745 0.228 6.215 568 HA LEU 73 HA LEU 73 -11.063 1.964 3.978 569 1HB LEU 73 HB2 LEU 73 -13.619 0.533 4.685 570 2HB LEU 73 HB1 LEU 73 -13.434 1.573 3.288 571 HG LEU 73 HG LEU 73 -11.940 -1.004 3.787 572 1HD1 LEU 73 HD11 LEU 73 -13.216 -1.824 1.874 573 2HD1 LEU 73 HD12 LEU 73 -14.080 -0.289 1.791 574 3HD1 LEU 73 HD13 LEU 73 -14.280 -1.338 3.195 575 1HD2 LEU 73 HD21 LEU 73 -10.561 0.624 2.593 576 2HD2 LEU 73 HD22 LEU 73 -11.860 0.867 1.423 577 3HD2 LEU 73 HD23 LEU 73 -11.054 -0.698 1.534 578 H THR 74 HN THR 74 -10.803 3.994 4.712 579 HA THR 74 HA THR 74 -12.966 5.176 6.318 580 HB THR 74 HB THR 74 -11.414 7.094 6.612 581 HG1 THR 74 HG1 THR 74 -10.255 6.455 4.547 582 1HG2 THR 74 HG21 THR 74 -9.762 5.963 8.022 583 2HG2 THR 74 HG22 THR 74 -10.199 4.420 7.289 584 3HG2 THR 74 HG23 THR 74 -11.379 5.300 8.262 585 H TYR 75 HN TYR 75 -14.564 6.002 5.065 586 HA TYR 75 HA TYR 75 -13.719 7.344 2.596 587 1HB TYR 75 HB2 TYR 75 -16.223 6.697 1.926 588 2HB TYR 75 HB1 TYR 75 -14.845 5.658 1.604 589 HD1 TYR 75 HD1 TYR 75 -14.976 3.450 2.216 590 HD2 TYR 75 HD2 TYR 75 -17.400 6.273 4.274 591 HE1 TYR 75 HE1 TYR 75 -16.060 1.619 3.436 592 HE2 TYR 75 HE2 TYR 75 -18.490 4.450 5.506 593 HH TYR 75 HH TYR 75 -17.294 1.297 5.582 594 H THR 76 HN THR 76 -14.023 9.383 2.576 595 HA THR 76 HA THR 76 -16.235 10.597 4.075 596 HB THR 76 HB THR 76 -13.992 12.014 2.603 597 HG1 THR 76 HG1 THR 76 -13.970 10.643 4.998 598 1HG2 THR 76 HG21 THR 76 -15.789 12.905 4.867 599 2HG2 THR 76 HG22 THR 76 -15.941 13.398 3.181 600 3HG2 THR 76 HG23 THR 76 -14.519 13.869 4.111 601 H ASP 77 HN ASP 77 -17.459 12.327 2.794 602 HA ASP 77 HA ASP 77 -18.356 11.087 0.363 603 1HB ASP 77 HB2 ASP 77 -19.264 13.714 1.556 604 2HB ASP 77 HB1 ASP 77 -20.110 12.757 0.343 605 H THR 78 HN THR 78 -15.953 11.564 -0.283 606 HA THR 78 HA THR 78 -16.099 13.266 -2.528 607 HB THR 78 HB THR 78 -15.757 15.099 -1.008 608 HG1 THR 78 HG1 THR 78 -14.572 15.612 -2.723 609 1HG2 THR 78 HG21 THR 78 -13.805 15.259 0.464 610 2HG2 THR 78 HG22 THR 78 -13.324 13.626 0.005 611 3HG2 THR 78 HG23 THR 78 -14.825 13.887 0.893 612 H TYR 79 HN TYR 79 -14.080 11.472 -0.256 613 HA TYR 79 HA TYR 79 -12.924 10.034 -2.474 614 1HB TYR 79 HB2 TYR 79 -10.606 10.383 -1.858 615 2HB TYR 79 HB1 TYR 79 -11.356 11.939 -2.182 616 HD1 TYR 79 HD1 TYR 79 -10.043 9.728 0.463 617 HD2 TYR 79 HD2 TYR 79 -11.548 13.601 -0.455 618 HE1 TYR 79 HE1 TYR 79 -9.250 10.545 2.639 619 HE2 TYR 79 HE2 TYR 79 -10.756 14.428 1.722 620 HH TYR 79 HH TYR 79 -10.155 13.589 3.913 621 H ALA 80 HN ALA 80 -11.962 8.047 -1.851 622 HA ALA 80 HA ALA 80 -12.586 7.247 0.918 623 1HB ALA 80 HB1 ALA 80 -12.618 5.474 -1.525 624 2HB ALA 80 HB2 ALA 80 -14.046 6.157 -0.749 625 3HB ALA 80 HB3 ALA 80 -13.036 5.004 0.124 626 H GLN 81 HN GLN 81 -10.939 6.565 2.096 627 HA GLN 81 HA GLN 81 -8.357 6.177 0.782 628 1HB GLN 81 HB2 GLN 81 -8.644 7.825 2.711 629 2HB GLN 81 HB1 GLN 81 -8.874 6.431 3.743 630 1HG GLN 81 HG2 GLN 81 -6.681 5.727 3.523 631 2HG GLN 81 HG1 GLN 81 -6.430 6.648 2.040 632 1HE2 GLN 81 HE21 GLN 81 -4.886 6.615 4.560 633 2HE2 GLN 81 HE22 GLN 81 -4.863 8.262 5.091 634 H GLU 82 HN GLU 82 -8.048 4.170 0.211 635 HA GLU 82 HA GLU 82 -9.031 1.942 1.769 636 1HB GLU 82 HB2 GLU 82 -9.094 1.813 -0.652 637 2HB GLU 82 HB1 GLU 82 -7.382 2.163 -0.755 638 1HG GLU 82 HG2 GLU 82 -7.048 -0.031 0.516 639 2HG GLU 82 HG1 GLU 82 -8.732 -0.361 0.105 640 H ASN 83 HN ASN 83 -7.912 2.274 3.717 641 HA ASN 83 HA ASN 83 -5.029 2.425 3.760 642 1HB ASN 83 HB2 ASN 83 -6.244 3.662 5.448 643 2HB ASN 83 HB1 ASN 83 -7.095 2.212 5.965 644 1HD2 ASN 83 HD21 ASN 83 -4.134 4.013 6.111 645 2HD2 ASN 83 HD22 ASN 83 -3.398 3.071 7.366 646 H VAL 84 HN VAL 84 -4.057 0.589 3.095 647 HA VAL 84 HA VAL 84 -4.990 -1.941 4.301 648 HB VAL 84 HB VAL 84 -3.170 -1.628 1.904 649 1HG1 VAL 84 HG11 VAL 84 -3.745 -3.975 1.475 650 2HG1 VAL 84 HG12 VAL 84 -4.689 -4.007 2.965 651 3HG1 VAL 84 HG13 VAL 84 -2.943 -3.764 3.032 652 1HG2 VAL 84 HG21 VAL 84 -6.146 -2.126 1.952 653 2HG2 VAL 84 HG22 VAL 84 -5.118 -2.191 0.520 654 3HG2 VAL 84 HG23 VAL 84 -5.340 -0.666 1.378 655 H THR 85 HN THR 85 -3.506 -3.279 5.380 656 HA THR 85 HA THR 85 -0.705 -2.440 5.435 657 HB THR 85 HB THR 85 -2.193 -3.085 7.981 658 HG1 THR 85 HG1 THR 85 -2.297 -0.838 6.650 659 1HG2 THR 85 HG21 THR 85 0.582 -2.005 7.500 660 2HG2 THR 85 HG22 THR 85 0.187 -3.650 8.000 661 3HG2 THR 85 HG23 THR 85 -0.154 -2.294 9.076 662 H ILE 86 HN ILE 86 0.222 -4.166 4.589 663 HA ILE 86 HA ILE 86 -0.814 -6.831 5.209 664 HB ILE 86 HB ILE 86 1.141 -5.905 3.097 665 1HG1 ILE 86 HG12 ILE 86 -1.717 -6.879 2.876 666 2HG1 ILE 86 HG11 ILE 86 -1.197 -5.205 2.721 667 1HG2 ILE 86 HG21 ILE 86 0.943 -8.176 2.179 668 2HG2 ILE 86 HG22 ILE 86 -0.012 -8.646 3.586 669 3HG2 ILE 86 HG23 ILE 86 1.673 -8.164 3.785 670 1HD1 ILE 86 HD11 ILE 86 0.097 -5.794 0.737 671 2HD1 ILE 86 HD12 ILE 86 -1.609 -6.205 0.551 672 3HD1 ILE 86 HD13 ILE 86 -0.429 -7.470 0.894 673 H ASP 87 HN ASP 87 0.072 -7.627 7.039 674 HA ASP 87 HA ASP 87 2.820 -7.240 7.756 675 1HB ASP 87 HB2 ASP 87 1.223 -7.704 9.514 676 2HB ASP 87 HB1 ASP 87 0.749 -9.214 8.742 677 H MET 88 HN MET 88 4.532 -8.282 6.991 678 HA MET 88 HA MET 88 4.044 -10.359 5.006 679 1HB MET 88 HB2 MET 88 6.542 -8.797 5.661 680 2HB MET 88 HB1 MET 88 6.405 -9.977 4.364 681 1HG MET 88 HG2 MET 88 4.547 -8.561 3.431 682 2HG MET 88 HG1 MET 88 5.002 -7.337 4.612 683 1HE MET 88 HE1 MET 88 4.900 -6.869 1.441 684 2HE MET 88 HE2 MET 88 6.359 -5.897 1.231 685 3HE MET 88 HE3 MET 88 5.308 -5.623 2.619 686 H GLU 89 HN GLU 89 4.032 -10.846 8.005 687 HA GLU 89 HA GLU 89 6.117 -12.932 7.977 688 1HB GLU 89 HB2 GLU 89 4.880 -11.545 10.360 689 2HB GLU 89 HB1 GLU 89 6.016 -12.883 10.455 690 1HG GLU 89 HG2 GLU 89 7.648 -11.441 9.196 691 2HG GLU 89 HG1 GLU 89 6.523 -10.105 9.431 692 H LYS 90 HN LYS 90 2.771 -12.245 8.155 693 HA LYS 90 HA LYS 90 2.229 -15.057 8.847 694 1HB LYS 90 HB2 LYS 90 1.304 -13.188 10.326 695 2HB LYS 90 HB1 LYS 90 0.228 -12.808 8.988 696 1HG LYS 90 HG2 LYS 90 -0.675 -15.092 9.092 697 2HG LYS 90 HG1 LYS 90 0.371 -15.423 10.474 698 1HD LYS 90 HD2 LYS 90 -0.742 -13.472 11.628 699 2HD LYS 90 HD1 LYS 90 -1.911 -13.465 10.306 700 1HE LYS 90 HE2 LYS 90 -1.338 -15.798 12.131 701 2HE LYS 90 HE1 LYS 90 -2.724 -14.718 12.259 702 1HZ LYS 90 HZ1 LYS 90 -3.675 -15.569 10.353 703 2HZ LYS 90 HZ2 LYS 90 -2.974 -16.954 11.033 704 3HZ LYS 90 HZ3 LYS 90 -2.212 -16.169 9.745 705 H VAL 91 HN VAL 91 2.245 -12.878 6.279 706 HA VAL 91 HA VAL 91 -0.155 -13.476 4.948 707 HB VAL 91 HB VAL 91 1.288 -12.889 2.827 708 1HG1 VAL 91 HG11 VAL 91 -0.510 -11.530 3.779 709 2HG1 VAL 91 HG12 VAL 91 0.837 -10.545 3.208 710 3HG1 VAL 91 HG13 VAL 91 0.632 -10.844 4.937 711 1HG2 VAL 91 HG21 VAL 91 3.444 -13.075 3.937 712 2HG2 VAL 91 HG22 VAL 91 2.977 -11.814 5.079 713 3HG2 VAL 91 HG23 VAL 91 3.168 -11.429 3.368 714 H ASP 92 HN ASP 92 -0.823 -15.016 3.654 715 HA ASP 92 HA ASP 92 1.151 -17.010 2.775 716 1HB ASP 92 HB2 ASP 92 -0.817 -18.418 2.144 717 2HB ASP 92 HB1 ASP 92 -0.707 -18.075 3.863 718 H PHE 93 HN PHE 93 2.075 -16.431 0.978 719 HA PHE 93 HA PHE 93 1.078 -14.455 -0.749 720 1HB PHE 93 HB2 PHE 93 3.342 -16.417 -1.044 721 2HB PHE 93 HB1 PHE 93 2.965 -15.214 -2.269 722 HD1 PHE 93 HD1 PHE 93 3.454 -15.293 1.447 723 HD2 PHE 93 HD2 PHE 93 4.255 -13.349 -2.253 724 HE1 PHE 93 HE1 PHE 93 4.855 -13.643 2.618 725 HE2 PHE 93 HE2 PHE 93 5.653 -11.696 -1.088 726 HZ PHE 93 HZ PHE 93 5.956 -11.840 1.349 727 H LYS 94 HN LYS 94 0.340 -17.759 -0.607 728 HA LYS 94 HA LYS 94 -0.127 -18.304 -3.331 729 1HB LYS 94 HB2 LYS 94 -1.544 -20.150 -2.522 730 2HB LYS 94 HB1 LYS 94 0.008 -20.095 -1.701 731 1HG LYS 94 HG2 LYS 94 -1.102 -18.949 0.201 732 2HG LYS 94 HG1 LYS 94 -2.648 -19.188 -0.618 733 1HD LYS 94 HD2 LYS 94 -2.215 -21.627 -0.619 734 2HD LYS 94 HD1 LYS 94 -0.744 -21.334 0.310 735 1HE LYS 94 HE2 LYS 94 -2.144 -20.254 2.061 736 2HE LYS 94 HE1 LYS 94 -3.576 -20.739 1.152 737 1HZ LYS 94 HZ1 LYS 94 -3.208 -22.355 2.822 738 2HZ LYS 94 HZ2 LYS 94 -1.565 -22.502 2.431 739 3HZ LYS 94 HZ3 LYS 94 -2.745 -23.072 1.352 740 H ALA 95 HN ALA 95 -2.173 -16.900 -0.804 741 HA ALA 95 HA ALA 95 -4.330 -16.457 -2.704 742 1HB ALA 95 HB1 ALA 95 -4.058 -15.599 0.178 743 2HB ALA 95 HB2 ALA 95 -4.894 -17.042 -0.398 744 3HB ALA 95 HB3 ALA 95 -5.508 -15.442 -0.813 745 H LEU 96 HN LEU 96 -1.672 -14.795 -1.232 746 HA LEU 96 HA LEU 96 -2.343 -12.127 -1.706 747 1HB LEU 96 HB2 LEU 96 -0.351 -13.090 -0.426 748 2HB LEU 96 HB1 LEU 96 0.436 -13.256 -1.982 749 HG LEU 96 HG LEU 96 -0.075 -10.711 -2.221 750 1HD1 LEU 96 HD11 LEU 96 -0.180 -11.068 0.756 751 2HD1 LEU 96 HD12 LEU 96 -1.505 -10.532 -0.280 752 3HD1 LEU 96 HD13 LEU 96 -0.067 -9.527 -0.098 753 1HD2 LEU 96 HD21 LEU 96 2.053 -10.177 -1.163 754 2HD2 LEU 96 HD22 LEU 96 2.161 -11.677 -2.085 755 3HD2 LEU 96 HD23 LEU 96 2.032 -11.729 -0.326 756 H GLN 97 HN GLN 97 -1.176 -14.616 -3.838 757 HA GLN 97 HA GLN 97 -0.206 -13.162 -5.988 758 1HB GLN 97 HB2 GLN 97 -0.009 -15.592 -5.766 759 2HB GLN 97 HB1 GLN 97 -1.740 -15.767 -6.001 760 1HG GLN 97 HG2 GLN 97 -1.518 -14.891 -8.272 761 2HG GLN 97 HG1 GLN 97 0.222 -14.727 -8.034 762 1HE2 GLN 97 HE21 GLN 97 -1.617 -17.390 -6.739 763 2HE2 GLN 97 HE22 GLN 97 -0.959 -18.610 -7.775 764 H GLY 98 HN GLY 98 -3.545 -13.950 -5.152 765 1HA GLY 98 HA2 GLY 98 -4.569 -12.867 -7.636 766 2HA GLY 98 HA1 GLY 98 -5.519 -13.500 -6.301 767 H ILE 99 HN ILE 99 -3.757 -11.626 -4.566 768 HA ILE 99 HA ILE 99 -5.316 -9.184 -5.102 769 HB ILE 99 HB ILE 99 -5.482 -8.893 -2.612 770 1HG1 ILE 99 HG12 ILE 99 -4.642 -11.802 -2.599 771 2HG1 ILE 99 HG11 ILE 99 -3.687 -10.458 -1.983 772 1HG2 ILE 99 HG21 ILE 99 -6.850 -11.310 -3.789 773 2HG2 ILE 99 HG22 ILE 99 -7.378 -9.635 -3.944 774 3HG2 ILE 99 HG23 ILE 99 -7.381 -10.417 -2.363 775 1HD1 ILE 99 HD11 ILE 99 -6.337 -11.389 -0.906 776 2HD1 ILE 99 HD12 ILE 99 -5.394 -10.031 -0.291 777 3HD1 ILE 99 HD13 ILE 99 -4.754 -11.671 -0.182 778 H SER 100 HN SER 100 -2.638 -9.628 -5.911 779 HA SER 100 HA SER 100 -0.842 -8.463 -4.032 780 1HB SER 100 HB2 SER 100 -0.557 -8.761 -7.029 781 2HB SER 100 HB1 SER 100 0.741 -8.347 -5.905 782 HG SER 100 HG SER 100 -0.635 -10.612 -5.200 783 H GLY 101 HN GLY 101 -1.486 -6.505 -3.312 784 1HA GLY 101 HA2 GLY 101 -2.380 -4.382 -4.980 785 2HA GLY 101 HA1 GLY 101 -1.811 -4.225 -3.324 786 H ILE 102 HN ILE 102 0.637 -5.764 -4.668 787 HA ILE 102 HA ILE 102 2.237 -3.405 -5.029 788 HB ILE 102 HB ILE 102 3.058 -6.237 -5.683 789 1HG1 ILE 102 HG12 ILE 102 3.172 -4.846 -2.997 790 2HG1 ILE 102 HG11 ILE 102 2.098 -6.174 -3.411 791 1HG2 ILE 102 HG21 ILE 102 4.577 -4.497 -6.440 792 2HG2 ILE 102 HG22 ILE 102 5.301 -5.405 -5.113 793 3HG2 ILE 102 HG23 ILE 102 4.622 -3.805 -4.818 794 1HD1 ILE 102 HD11 ILE 102 5.102 -6.304 -3.318 795 2HD1 ILE 102 HD12 ILE 102 4.021 -7.636 -3.725 796 3HD1 ILE 102 HD13 ILE 102 3.992 -6.941 -2.104 797 H ASN 103 HN ASN 103 1.358 -2.355 -6.817 798 HA ASN 103 HA ASN 103 0.892 -3.778 -9.278 799 1HB ASN 103 HB2 ASN 103 -0.505 -1.836 -8.412 800 2HB ASN 103 HB1 ASN 103 0.829 -0.785 -8.871 801 1HD2 ASN 103 HD21 ASN 103 -1.923 -0.876 -9.841 802 2HD2 ASN 103 HD22 ASN 103 -1.815 -1.114 -11.560 803 H VAL 104 HN VAL 104 3.257 -4.451 -9.171 804 HA VAL 104 HA VAL 104 4.704 -2.744 -11.056 805 HB VAL 104 HB VAL 104 6.117 -4.048 -8.726 806 1HG1 VAL 104 HG11 VAL 104 7.474 -3.853 -10.723 807 2HG1 VAL 104 HG12 VAL 104 8.039 -2.725 -9.491 808 3HG1 VAL 104 HG13 VAL 104 7.081 -2.137 -10.850 809 1HG2 VAL 104 HG21 VAL 104 6.491 -1.804 -7.833 810 2HG2 VAL 104 HG22 VAL 104 4.771 -2.188 -7.898 811 3HG2 VAL 104 HG23 VAL 104 5.483 -1.123 -9.111 812 H SER 105 HN SER 105 5.540 -5.651 -9.268 813 HA SER 105 HA SER 105 5.320 -7.249 -11.709 814 1HB SER 105 HB2 SER 105 7.737 -7.248 -9.880 815 2HB SER 105 HB1 SER 105 7.501 -8.292 -11.281 816 HG SER 105 HG SER 105 7.231 -5.583 -11.762 817 H ALA 106 HN ALA 106 4.651 -9.332 -11.365 818 HA ALA 106 HA ALA 106 3.600 -9.864 -8.700 819 1HB ALA 106 HB1 ALA 106 2.223 -11.511 -9.708 820 2HB ALA 106 HB2 ALA 106 3.204 -11.533 -11.171 821 3HB ALA 106 HB3 ALA 106 2.217 -10.118 -10.794 822 H GLU 107 HN GLU 107 6.067 -11.015 -10.873 823 HA GLU 107 HA GLU 107 6.323 -13.554 -9.544 824 1HB GLU 107 HB2 GLU 107 8.089 -12.280 -11.637 825 2HB GLU 107 HB1 GLU 107 8.169 -13.956 -11.102 826 1HG GLU 107 HG2 GLU 107 5.747 -14.150 -11.824 827 2HG GLU 107 HG1 GLU 107 5.970 -12.596 -12.623 828 H ASP 108 HN ASP 108 7.307 -10.497 -8.756 829 HA ASP 108 HA ASP 108 9.800 -11.121 -7.501 830 1HB ASP 108 HB2 ASP 108 9.068 -8.793 -8.093 831 2HB ASP 108 HB1 ASP 108 7.866 -8.892 -6.808 832 H ALA 109 HN ALA 109 6.424 -11.212 -6.630 833 HA ALA 109 HA ALA 109 6.741 -11.718 -3.860 834 1HB ALA 109 HB1 ALA 109 4.394 -12.388 -3.915 835 2HB ALA 109 HB2 ALA 109 4.436 -12.415 -5.678 836 3HB ALA 109 HB3 ALA 109 4.646 -10.892 -4.814 837 H LYS 110 HN LYS 110 6.988 -13.677 -6.688 838 HA LYS 110 HA LYS 110 6.659 -16.225 -5.491 839 1HB LYS 110 HB2 LYS 110 8.323 -15.441 -7.895 840 2HB LYS 110 HB1 LYS 110 7.882 -17.083 -7.454 841 1HG LYS 110 HG2 LYS 110 5.509 -16.508 -7.792 842 2HG LYS 110 HG1 LYS 110 5.997 -14.890 -8.310 843 1HD LYS 110 HD2 LYS 110 7.282 -15.849 -10.142 844 2HD LYS 110 HD1 LYS 110 6.851 -17.476 -9.614 845 1HE LYS 110 HE2 LYS 110 4.494 -16.984 -10.033 846 2HE LYS 110 HE1 LYS 110 4.925 -15.355 -10.554 847 1HZ LYS 110 HZ1 LYS 110 4.602 -16.801 -12.444 848 2HZ LYS 110 HZ2 LYS 110 5.774 -17.879 -11.867 849 3HZ LYS 110 HZ3 LYS 110 6.229 -16.323 -12.361 850 H LYS 111 HN LYS 111 9.356 -14.030 -5.893 851 HA LYS 111 HA LYS 111 11.316 -15.852 -4.840 852 1HB LYS 111 HB2 LYS 111 11.466 -12.861 -5.290 853 2HB LYS 111 HB1 LYS 111 12.829 -13.912 -4.932 854 1HG LYS 111 HG2 LYS 111 11.101 -14.066 -7.394 855 2HG LYS 111 HG1 LYS 111 12.704 -13.336 -7.303 856 1HD LYS 111 HD2 LYS 111 13.629 -15.520 -6.628 857 2HD LYS 111 HD1 LYS 111 12.024 -16.232 -6.807 858 1HE LYS 111 HE2 LYS 111 12.019 -15.613 -9.176 859 2HE LYS 111 HE1 LYS 111 13.626 -14.909 -8.994 860 1HZ LYS 111 HZ1 LYS 111 12.888 -17.765 -8.668 861 2HZ LYS 111 HZ2 LYS 111 14.418 -17.132 -8.310 862 3HZ LYS 111 HZ3 LYS 111 13.838 -17.091 -9.902 863 H GLY 112 HN GLY 112 9.808 -12.837 -3.721 864 1HA GLY 112 HA2 GLY 112 8.987 -13.066 -1.314 865 2HA GLY 112 HA1 GLY 112 10.655 -13.514 -0.977 866 H ILE 113 HN ILE 113 8.511 -11.020 -0.945 867 HA ILE 113 HA ILE 113 9.987 -8.873 -1.991 868 HB ILE 113 HB ILE 113 7.668 -9.047 -0.108 869 1HG1 ILE 113 HG12 ILE 113 6.568 -7.703 -1.837 870 2HG1 ILE 113 HG11 ILE 113 8.082 -7.573 -2.721 871 1HG2 ILE 113 HG21 ILE 113 7.613 -6.594 0.072 872 2HG2 ILE 113 HG22 ILE 113 9.191 -6.516 -0.713 873 3HG2 ILE 113 HG23 ILE 113 9.026 -7.292 0.863 874 1HD1 ILE 113 HD11 ILE 113 6.526 -10.100 -2.234 875 2HD1 ILE 113 HD12 ILE 113 8.052 -9.978 -3.114 876 3HD1 ILE 113 HD13 ILE 113 6.607 -9.187 -3.742 877 H THR 114 HN THR 114 11.799 -8.107 -1.345 878 HA THR 114 HA THR 114 12.356 -7.902 1.529 879 HB THR 114 HB THR 114 14.852 -8.037 0.580 880 HG1 THR 114 HG1 THR 114 13.326 -9.717 -1.164 881 1HG2 THR 114 HG21 THR 114 13.913 -9.462 2.344 882 2HG2 THR 114 HG22 THR 114 14.880 -10.406 1.211 883 3HG2 THR 114 HG23 THR 114 13.119 -10.455 1.121 884 H MET 115 HN MET 115 14.284 -6.208 1.777 885 HA MET 115 HA MET 115 13.074 -3.791 0.924 886 1HB MET 115 HB2 MET 115 14.345 -4.111 3.070 887 2HB MET 115 HB1 MET 115 15.828 -4.070 2.122 888 1HG MET 115 HG2 MET 115 15.299 -1.902 3.138 889 2HG MET 115 HG1 MET 115 15.342 -1.832 1.375 890 1HE MET 115 HE1 MET 115 14.018 0.365 1.108 891 2HE MET 115 HE2 MET 115 14.058 0.549 2.862 892 3HE MET 115 HE3 MET 115 12.539 0.747 1.989 893 H ALA 116 HN ALA 116 16.096 -5.410 -0.013 894 HA ALA 116 HA ALA 116 17.060 -3.552 -1.839 895 1HB ALA 116 HB1 ALA 116 18.288 -5.564 -1.167 896 2HB ALA 116 HB2 ALA 116 18.213 -5.404 -2.922 897 3HB ALA 116 HB3 ALA 116 17.164 -6.556 -2.096 898 H GLN 117 HN GLN 117 14.702 -6.129 -2.330 899 HA GLN 117 HA GLN 117 14.152 -5.695 -5.046 900 1HB GLN 117 HB2 GLN 117 12.705 -6.959 -2.766 901 2HB GLN 117 HB1 GLN 117 11.804 -6.616 -4.236 902 1HG GLN 117 HG2 GLN 117 12.921 -8.932 -3.917 903 2HG GLN 117 HG1 GLN 117 12.990 -8.136 -5.486 904 1HE2 GLN 117 HE21 GLN 117 14.794 -9.025 -2.638 905 2HE2 GLN 117 HE22 GLN 117 16.367 -8.795 -3.322 906 H MET 118 HN MET 118 12.163 -4.574 -2.282 907 HA MET 118 HA MET 118 10.414 -2.994 -3.636 908 1HB MET 118 HB2 MET 118 11.625 -2.691 -0.916 909 2HB MET 118 HB1 MET 118 10.505 -1.476 -1.522 910 1HG MET 118 HG2 MET 118 9.906 -4.417 -1.305 911 2HG MET 118 HG1 MET 118 9.412 -3.189 -0.138 912 1HE MET 118 HE1 MET 118 7.491 -5.306 -1.835 913 2HE MET 118 HE2 MET 118 6.102 -4.245 -2.081 914 3HE MET 118 HE3 MET 118 6.931 -4.267 -0.524 915 H GLU 119 HN GLU 119 13.697 -2.016 -2.697 916 HA GLU 119 HA GLU 119 13.497 0.681 -3.452 917 1HB GLU 119 HB2 GLU 119 15.868 -1.179 -3.339 918 2HB GLU 119 HB1 GLU 119 16.010 0.540 -3.676 919 1HG GLU 119 HG2 GLU 119 14.822 -0.636 -1.172 920 2HG GLU 119 HG1 GLU 119 16.473 -0.035 -1.330 921 H LEU 120 HN LEU 120 14.902 -2.035 -5.324 922 HA LEU 120 HA LEU 120 15.280 -0.361 -7.638 923 1HB LEU 120 HB2 LEU 120 15.707 -3.269 -7.048 924 2HB LEU 120 HB1 LEU 120 15.788 -2.689 -8.697 925 HG LEU 120 HG LEU 120 17.594 -1.101 -7.980 926 1HD1 LEU 120 HD11 LEU 120 17.081 -1.002 -5.599 927 2HD1 LEU 120 HD12 LEU 120 18.744 -1.524 -5.871 928 3HD1 LEU 120 HD13 LEU 120 17.510 -2.704 -5.429 929 1HD2 LEU 120 HD21 LEU 120 18.119 -4.034 -7.521 930 2HD2 LEU 120 HD22 LEU 120 19.334 -2.808 -7.885 931 3HD2 LEU 120 HD23 LEU 120 18.104 -3.214 -9.082 932 H VAL 121 HN VAL 121 12.860 -2.475 -6.493 933 HA VAL 121 HA VAL 121 11.579 -3.072 -8.960 934 HB VAL 121 HB VAL 121 10.853 -3.408 -6.058 935 1HG1 VAL 121 HG11 VAL 121 8.758 -2.925 -7.166 936 2HG1 VAL 121 HG12 VAL 121 8.860 -4.624 -6.703 937 3HG1 VAL 121 HG13 VAL 121 9.106 -4.151 -8.385 938 1HG2 VAL 121 HG21 VAL 121 12.459 -4.968 -6.996 939 2HG2 VAL 121 HG22 VAL 121 11.330 -5.375 -8.289 940 3HG2 VAL 121 HG23 VAL 121 10.940 -5.787 -6.616 941 H MET 122 HN MET 122 10.858 -0.829 -6.277 942 HA MET 122 HA MET 122 8.679 0.417 -7.623 943 1HB MET 122 HB2 MET 122 10.248 0.926 -5.159 944 2HB MET 122 HB1 MET 122 9.427 2.313 -5.861 945 1HG MET 122 HG2 MET 122 8.132 1.108 -4.112 946 2HG MET 122 HG1 MET 122 7.306 1.265 -5.660 947 1HE MET 122 HE1 MET 122 5.545 -0.610 -5.143 948 2HE MET 122 HE2 MET 122 6.227 -0.712 -3.520 949 3HE MET 122 HE3 MET 122 5.965 -2.181 -4.460 950 H LYS 123 HN LYS 123 12.113 0.843 -7.627 951 HA LYS 123 HA LYS 123 12.290 3.350 -8.891 952 1HB LYS 123 HB2 LYS 123 14.225 2.261 -7.898 953 2HB LYS 123 HB1 LYS 123 14.102 0.933 -9.040 954 1HG LYS 123 HG2 LYS 123 14.525 2.602 -10.868 955 2HG LYS 123 HG1 LYS 123 14.895 3.775 -9.601 956 1HD LYS 123 HD2 LYS 123 16.678 2.357 -8.770 957 2HD LYS 123 HD1 LYS 123 16.276 1.118 -9.960 958 1HE LYS 123 HE2 LYS 123 16.760 2.811 -11.744 959 2HE LYS 123 HE1 LYS 123 17.369 3.876 -10.477 960 1HZ LYS 123 HZ1 LYS 123 19.005 2.180 -9.901 961 2HZ LYS 123 HZ2 LYS 123 19.163 2.656 -11.522 962 3HZ LYS 123 HZ3 LYS 123 18.423 1.178 -11.140 963 H ALA 124 HN ALA 124 11.738 0.104 -10.129 964 HA ALA 124 HA ALA 124 12.010 0.785 -12.885 965 1HB ALA 124 HB1 ALA 124 10.549 -1.564 -11.689 966 2HB ALA 124 HB2 ALA 124 12.285 -1.513 -11.989 967 3HB ALA 124 HB3 ALA 124 11.154 -1.417 -13.339 968 H ALA 125 HN ALA 125 9.301 0.567 -10.638 969 HA ALA 125 HA ALA 125 7.263 0.960 -12.581 970 1HB ALA 125 HB1 ALA 125 7.170 1.516 -9.618 971 2HB ALA 125 HB2 ALA 125 6.830 -0.041 -10.376 972 3HB ALA 125 HB3 ALA 125 5.784 1.344 -10.696 973 H GLY 126 HN GLY 126 9.319 3.089 -10.758 974 1HA GLY 126 HA2 GLY 126 9.730 5.344 -11.309 975 2HA GLY 126 HA1 GLY 126 8.217 5.377 -12.209 976 H PHE 127 HN PHE 127 8.537 4.113 -8.969 977 HA PHE 127 HA PHE 127 6.605 6.078 -8.034 978 1HB PHE 127 HB2 PHE 127 7.756 3.595 -6.752 979 2HB PHE 127 HB1 PHE 127 6.631 4.677 -5.940 980 HD1 PHE 127 HD1 PHE 127 4.845 5.273 -8.299 981 HD2 PHE 127 HD2 PHE 127 6.478 1.632 -6.825 982 HE1 PHE 127 HE1 PHE 127 2.940 4.040 -9.246 983 HE2 PHE 127 HE2 PHE 127 4.577 0.391 -7.773 984 HZ PHE 127 HZ PHE 127 2.805 1.595 -8.987 985 H LYS 128 HN LYS 128 7.008 7.601 -6.494 986 HA LYS 128 HA LYS 128 9.836 8.113 -5.944 987 1HB LYS 128 HB2 LYS 128 8.609 9.928 -7.020 988 2HB LYS 128 HB1 LYS 128 7.420 9.917 -5.724 989 1HG LYS 128 HG2 LYS 128 9.108 10.634 -4.136 990 2HG LYS 128 HG1 LYS 128 10.339 10.584 -5.399 991 1HD LYS 128 HD2 LYS 128 7.902 12.362 -5.381 992 2HD LYS 128 HD1 LYS 128 9.549 12.867 -4.995 993 1HE LYS 128 HE2 LYS 128 10.243 12.190 -7.271 994 2HE LYS 128 HE1 LYS 128 8.563 11.810 -7.642 995 1HZ LYS 128 HZ1 LYS 128 7.981 14.115 -7.256 996 2HZ LYS 128 HZ2 LYS 128 9.196 14.008 -8.436 997 3HZ LYS 128 HZ3 LYS 128 9.588 14.483 -6.858 998 H GLU 129 HN GLU 129 10.661 7.875 -3.983 999 HA GLU 129 HA GLU 129 8.886 7.096 -1.820 1000 1HB GLU 129 HB2 GLU 129 11.523 7.102 -0.864 1001 2HB GLU 129 HB1 GLU 129 10.562 5.712 -1.340 1002 1HG GLU 129 HG2 GLU 129 12.589 5.528 -2.506 1003 2HG GLU 129 HG1 GLU 129 11.407 6.083 -3.688 1004 H VAL 130 HN VAL 130 8.232 8.391 -0.297 1005 HA VAL 130 HA VAL 130 9.298 11.105 -0.143 1006 HB VAL 130 HB VAL 130 6.947 9.984 1.383 1007 1HG1 VAL 130 HG11 VAL 130 7.744 12.132 2.163 1008 2HG1 VAL 130 HG12 VAL 130 6.177 12.315 1.374 1009 3HG1 VAL 130 HG13 VAL 130 7.652 12.787 0.529 1010 1HG2 VAL 130 HG21 VAL 130 5.497 10.806 -0.421 1011 2HG2 VAL 130 HG22 VAL 130 6.557 9.504 -0.958 1012 3HG2 VAL 130 HG23 VAL 130 6.925 11.176 -1.387 1013 H LYS 131 HN LYS 131 9.514 8.121 1.435 1014 HA LYS 131 HA LYS 131 10.507 7.367 3.332 1015 1HB LYS 131 HB2 LYS 131 11.539 10.196 3.661 1016 2HB LYS 131 HB1 LYS 131 12.126 8.775 4.510 1017 1HG LYS 131 HG2 LYS 131 12.943 7.838 2.419 1018 2HG LYS 131 HG1 LYS 131 12.305 9.227 1.535 1019 1HD LYS 131 HD2 LYS 131 14.623 9.632 1.842 1020 2HD LYS 131 HD1 LYS 131 13.778 10.677 2.984 1021 1HE LYS 131 HE2 LYS 131 14.147 8.874 4.714 1022 2HE LYS 131 HE1 LYS 131 15.220 8.095 3.553 1023 1HZ LYS 131 HZ1 LYS 131 16.502 10.223 3.502 1024 2HZ LYS 131 HZ2 LYS 131 16.542 9.418 4.991 1025 3HZ LYS 131 HZ3 LYS 131 15.544 10.770 4.796 1026 H LEU 132 HN LEU 132 10.778 8.318 5.854 1027 HA LEU 132 HA LEU 132 8.605 9.972 6.686 1028 1HB LEU 132 HB2 LEU 132 7.442 7.803 6.284 1029 2HB LEU 132 HB1 LEU 132 8.500 7.052 7.463 1030 HG LEU 132 HG LEU 132 7.582 8.531 9.216 1031 1HD1 LEU 132 HD11 LEU 132 5.705 9.446 7.038 1032 2HD1 LEU 132 HD12 LEU 132 6.949 10.423 7.819 1033 3HD1 LEU 132 HD13 LEU 132 5.568 9.842 8.751 1034 1HD2 LEU 132 HD21 LEU 132 5.524 6.960 7.669 1035 2HD2 LEU 132 HD22 LEU 132 5.377 7.468 9.351 1036 3HD2 LEU 132 HD23 LEU 132 6.631 6.320 8.885 1037 H GLU 133 HN GLU 133 10.033 11.168 7.823 1038 HA GLU 133 HA GLU 133 11.565 9.809 9.931 1039 1HB GLU 133 HB2 GLU 133 12.541 12.080 8.190 1040 2HB GLU 133 HB1 GLU 133 13.436 11.339 9.509 1041 1HG GLU 133 HG2 GLU 133 13.546 9.249 8.312 1042 2HG GLU 133 HG1 GLU 133 12.551 9.909 7.015 1043 H HIS 134 HN HIS 134 12.454 11.494 11.522 1044 HA HIS 134 HA HIS 134 10.246 12.954 12.589 1045 1HB HIS 134 HB2 HIS 134 13.161 12.843 13.389 1046 2HB HIS 134 HB1 HIS 134 11.939 13.742 14.282 1047 HD1 HIS 134 HD1 HIS 134 13.217 10.304 13.669 1048 HD2 HIS 134 HD2 HIS 134 10.088 12.143 15.702 1049 HE1 HIS 134 HE1 HIS 134 12.273 8.545 15.201 1050 HE2 HIS 134 HE2 HIS 134 10.427 9.694 16.477 1051 H HIS 135 HN HIS 135 9.565 14.747 11.608 1052 HA HIS 135 HA HIS 135 11.534 16.663 10.589 1053 1HB HIS 135 HB2 HIS 135 8.527 16.507 10.311 1054 2HB HIS 135 HB1 HIS 135 9.473 17.883 9.753 1055 HD1 HIS 135 HD1 HIS 135 8.368 14.520 8.783 1056 HD2 HIS 135 HD2 HIS 135 11.306 17.230 7.615 1057 HE1 HIS 135 HE1 HIS 135 9.172 13.729 6.532 1058 HE2 HIS 135 HE2 HIS 135 10.848 15.459 5.783 1059 H HIS 136 HN HIS 136 9.388 16.079 13.194 1060 HA HIS 136 HA HIS 136 9.694 18.799 14.230 1061 1HB HIS 136 HB2 HIS 136 8.106 16.423 15.233 1062 2HB HIS 136 HB1 HIS 136 8.206 17.964 16.078 1063 HD1 HIS 136 HD1 HIS 136 6.203 19.320 15.693 1064 HD2 HIS 136 HD2 HIS 136 7.144 17.015 12.366 1065 HE1 HIS 136 HE1 HIS 136 4.444 19.858 13.977 1066 HE2 HIS 136 HE2 HIS 136 5.120 18.564 11.920 1067 H HIS 137 HN HIS 137 11.869 18.875 14.816 1068 HA HIS 137 HA HIS 137 12.564 17.244 17.131 1069 1HB HIS 137 HB2 HIS 137 13.408 16.016 15.138 1070 2HB HIS 137 HB1 HIS 137 14.382 17.422 14.720 1071 HD1 HIS 137 HD1 HIS 137 16.590 17.734 15.947 1072 HD2 HIS 137 HD2 HIS 137 14.277 14.630 17.481 1073 HE1 HIS 137 HE1 HIS 137 18.077 16.511 17.567 1074 HE2 HIS 137 HE2 HIS 137 16.699 14.569 18.392 1075 H HIS 138 HN HIS 138 12.615 18.979 18.457 1076 HA HIS 138 HA HIS 138 15.075 20.506 18.271 1077 1HB HIS 138 HB2 HIS 138 14.008 22.638 18.879 1078 2HB HIS 138 HB1 HIS 138 13.437 22.067 17.319 1079 HD1 HIS 138 HD1 HIS 138 10.958 21.751 17.036 1080 HD2 HIS 138 HD2 HIS 138 12.059 22.436 20.994 1081 HE1 HIS 138 HE1 HIS 138 8.809 22.105 18.291 1082 HE2 HIS 138 HE2 HIS 138 9.516 22.744 20.620 1083 H HIS 139 HN HIS 139 15.276 21.776 20.502 1084 HA HIS 139 HA HIS 139 14.770 19.699 22.491 1085 1HB HIS 139 HB2 HIS 139 17.083 20.649 22.148 1086 2HB HIS 139 HB1 HIS 139 16.481 22.173 22.790 1087 HD1 HIS 139 HD1 HIS 139 16.384 22.415 25.293 1088 HD2 HIS 139 HD2 HIS 139 17.113 18.504 24.077 1089 HE1 HIS 139 HE1 HIS 139 16.971 21.149 27.387 1090 HE2 HIS 139 HE2 HIS 139 17.507 18.813 26.617 Start of MODEL 20 1 1H MET 1 HT1 MET 1 27.758 -0.624 6.837 2 2H MET 1 HT2 MET 1 26.562 0.405 6.219 3 3H MET 1 HT3 MET 1 26.425 -1.269 6.007 4 HA MET 1 HA MET 1 26.175 -1.586 8.367 5 1HB MET 1 HB2 MET 1 26.111 1.439 8.517 6 2HB MET 1 HB1 MET 1 25.883 0.322 9.852 7 1HG MET 1 HG2 MET 1 28.052 1.099 10.117 8 2HG MET 1 HG1 MET 1 28.254 -0.478 9.356 9 1HE MET 1 HE1 MET 1 30.754 0.150 8.713 10 2HE MET 1 HE2 MET 1 30.561 1.733 9.467 11 3HE MET 1 HE3 MET 1 31.203 1.608 7.829 12 H GLY 2 HN GLY 2 24.058 -0.942 9.548 13 1HA GLY 2 HA2 GLY 2 22.051 0.188 7.747 14 2HA GLY 2 HA1 GLY 2 21.823 -1.485 8.242 15 H ASP 3 HN ASP 3 20.282 1.042 8.812 16 HA ASP 3 HA ASP 3 20.622 1.412 11.644 17 1HB ASP 3 HB2 ASP 3 19.805 3.241 10.141 18 2HB ASP 3 HB1 ASP 3 18.309 2.334 9.925 19 H LYS 4 HN LYS 4 18.887 0.994 13.188 20 HA LYS 4 HA LYS 4 18.089 -1.770 12.809 21 1HB LYS 4 HB2 LYS 4 17.791 -0.104 15.312 22 2HB LYS 4 HB1 LYS 4 17.771 -1.855 15.185 23 1HG LYS 4 HG2 LYS 4 19.883 -1.469 16.014 24 2HG LYS 4 HG1 LYS 4 20.196 -1.553 14.279 25 1HD LYS 4 HD2 LYS 4 20.014 0.944 14.209 26 2HD LYS 4 HD1 LYS 4 19.922 0.932 15.970 27 1HE LYS 4 HE2 LYS 4 22.178 1.405 15.361 28 2HE LYS 4 HE1 LYS 4 22.129 -0.237 15.999 29 1HZ LYS 4 HZ1 LYS 4 21.992 0.318 13.094 30 2HZ LYS 4 HZ2 LYS 4 22.366 -1.145 13.867 31 3HZ LYS 4 HZ3 LYS 4 23.468 0.144 13.903 32 H GLU 5 HN GLU 5 16.348 -1.705 11.481 33 HA GLU 5 HA GLU 5 14.143 -1.722 10.947 34 1HB GLU 5 HB2 GLU 5 13.792 -2.395 13.309 35 2HB GLU 5 HB1 GLU 5 13.669 -0.699 13.751 36 1HG GLU 5 HG2 GLU 5 11.714 -0.502 12.246 37 2HG GLU 5 HG1 GLU 5 11.809 -2.241 11.963 38 H GLU 6 HN GLU 6 13.726 -0.270 9.423 39 HA GLU 6 HA GLU 6 13.509 2.552 10.204 40 1HB GLU 6 HB2 GLU 6 15.726 2.100 9.142 41 2HB GLU 6 HB1 GLU 6 14.878 1.572 7.694 42 1HG GLU 6 HG2 GLU 6 13.811 3.844 7.618 43 2HG GLU 6 HG1 GLU 6 14.928 4.327 8.894 44 H SER 7 HN SER 7 12.019 3.747 9.087 45 HA SER 7 HA SER 7 10.074 2.207 7.549 46 1HB SER 7 HB2 SER 7 9.312 3.559 9.502 47 2HB SER 7 HB1 SER 7 9.864 5.014 8.674 48 HG SER 7 HG SER 7 7.517 4.032 8.496 49 H LYS 8 HN LYS 8 9.895 2.419 5.407 50 HA LYS 8 HA LYS 8 11.168 4.753 4.141 51 1HB LYS 8 HB2 LYS 8 12.185 2.567 3.517 52 2HB LYS 8 HB1 LYS 8 10.623 2.045 2.898 53 1HG LYS 8 HG2 LYS 8 11.974 2.747 1.056 54 2HG LYS 8 HG1 LYS 8 10.690 3.935 1.286 55 1HD LYS 8 HD2 LYS 8 12.481 5.333 1.041 56 2HD LYS 8 HD1 LYS 8 12.512 5.105 2.789 57 1HE LYS 8 HE2 LYS 8 14.736 4.805 2.145 58 2HE LYS 8 HE1 LYS 8 14.118 3.161 2.307 59 1HZ LYS 8 HZ1 LYS 8 14.075 2.860 0.017 60 2HZ LYS 8 HZ2 LYS 8 15.485 3.780 0.236 61 3HZ LYS 8 HZ3 LYS 8 14.067 4.530 -0.310 62 H LYS 9 HN LYS 9 9.566 6.161 3.998 63 HA LYS 9 HA LYS 9 6.897 5.299 3.203 64 1HB LYS 9 HB2 LYS 9 7.246 6.790 5.183 65 2HB LYS 9 HB1 LYS 9 7.853 8.026 4.094 66 1HG LYS 9 HG2 LYS 9 5.663 8.067 2.958 67 2HG LYS 9 HG1 LYS 9 5.067 6.877 4.118 68 1HD LYS 9 HD2 LYS 9 5.738 8.511 5.935 69 2HD LYS 9 HD1 LYS 9 5.967 9.700 4.651 70 1HE LYS 9 HE2 LYS 9 3.775 9.992 5.565 71 2HE LYS 9 HE1 LYS 9 3.613 9.300 3.951 72 1HZ LYS 9 HZ1 LYS 9 3.435 7.084 5.079 73 2HZ LYS 9 HZ2 LYS 9 2.140 8.138 5.359 74 3HZ LYS 9 HZ3 LYS 9 3.321 7.910 6.557 75 H PHE 10 HN PHE 10 6.694 5.138 1.032 76 HA PHE 10 HA PHE 10 7.512 7.509 -0.512 77 1HB PHE 10 HB2 PHE 10 8.125 6.226 -2.304 78 2HB PHE 10 HB1 PHE 10 8.405 5.031 -1.048 79 HD1 PHE 10 HD1 PHE 10 7.077 3.051 -0.910 80 HD2 PHE 10 HD2 PHE 10 6.128 6.095 -3.728 81 HE1 PHE 10 HE1 PHE 10 5.544 1.509 -2.063 82 HE2 PHE 10 HE2 PHE 10 4.591 4.561 -4.879 83 HZ PHE 10 HZ PHE 10 4.295 2.267 -4.048 84 H SER 11 HN SER 11 6.002 8.264 -2.103 85 HA SER 11 HA SER 11 3.318 7.173 -1.986 86 1HB SER 11 HB2 SER 11 3.424 8.794 -0.097 87 2HB SER 11 HB1 SER 11 3.844 10.063 -1.246 88 HG SER 11 HG SER 11 1.523 8.513 -1.622 89 H ALA 12 HN ALA 12 2.368 7.299 -3.899 90 HA ALA 12 HA ALA 12 3.433 9.217 -5.856 91 1HB ALA 12 HB1 ALA 12 4.277 6.974 -6.349 92 2HB ALA 12 HB2 ALA 12 3.169 7.536 -7.602 93 3HB ALA 12 HB3 ALA 12 2.623 6.364 -6.403 94 H ASN 13 HN ASN 13 1.884 10.641 -6.216 95 HA ASN 13 HA ASN 13 -0.908 9.923 -6.064 96 1HB ASN 13 HB2 ASN 13 -0.177 12.141 -5.297 97 2HB ASN 13 HB1 ASN 13 0.421 12.511 -6.909 98 1HD2 ASN 13 HD21 ASN 13 -2.571 10.796 -6.246 99 2HD2 ASN 13 HD22 ASN 13 -3.619 12.036 -6.830 100 H LEU 14 HN LEU 14 -1.629 8.676 -7.666 101 HA LEU 14 HA LEU 14 -0.618 8.994 -10.368 102 1HB LEU 14 HB2 LEU 14 -2.863 7.201 -9.443 103 2HB LEU 14 HB1 LEU 14 -1.901 7.042 -10.898 104 HG LEU 14 HG LEU 14 -0.890 6.620 -8.081 105 1HD1 LEU 14 HD11 LEU 14 -2.438 4.879 -8.793 106 2HD1 LEU 14 HD12 LEU 14 -0.789 4.263 -8.699 107 3HD1 LEU 14 HD13 LEU 14 -1.503 4.639 -10.268 108 1HD2 LEU 14 HD21 LEU 14 0.480 6.190 -10.738 109 2HD2 LEU 14 HD22 LEU 14 1.125 5.730 -9.162 110 3HD2 LEU 14 HD23 LEU 14 0.876 7.434 -9.549 111 H ASN 15 HN ASN 15 -2.438 8.936 -12.134 112 HA ASN 15 HA ASN 15 -4.029 11.300 -11.763 113 1HB ASN 15 HB2 ASN 15 -3.627 9.388 -14.047 114 2HB ASN 15 HB1 ASN 15 -4.898 10.604 -14.110 115 1HD2 ASN 15 HD21 ASN 15 -1.460 10.046 -14.041 116 2HD2 ASN 15 HD22 ASN 15 -1.000 11.635 -14.553 117 H GLY 16 HN GLY 16 -4.923 9.824 -9.834 118 1HA GLY 16 HA2 GLY 16 -7.650 9.633 -10.111 119 2HA GLY 16 HA1 GLY 16 -7.042 8.031 -10.510 120 H THR 17 HN THR 17 -5.080 7.541 -8.810 121 HA THR 17 HA THR 17 -6.379 7.747 -6.179 122 HB THR 17 HB THR 17 -5.056 5.583 -5.733 123 HG1 THR 17 HG1 THR 17 -4.649 4.378 -7.672 124 1HG2 THR 17 HG21 THR 17 -7.343 5.556 -7.707 125 2HG2 THR 17 HG22 THR 17 -7.497 5.667 -5.954 126 3HG2 THR 17 HG23 THR 17 -6.842 4.205 -6.690 127 H GLU 18 HN GLU 18 -5.143 8.157 -4.373 128 HA GLU 18 HA GLU 18 -2.363 8.990 -4.871 129 1HB GLU 18 HB2 GLU 18 -3.877 9.593 -2.346 130 2HB GLU 18 HB1 GLU 18 -2.540 10.475 -3.068 131 1HG GLU 18 HG2 GLU 18 -4.109 11.084 -4.945 132 2HG GLU 18 HG1 GLU 18 -5.408 10.420 -3.948 133 H ILE 19 HN ILE 19 -1.069 7.254 -4.543 134 HA ILE 19 HA ILE 19 -1.788 5.368 -2.421 135 HB ILE 19 HB ILE 19 0.197 5.068 -4.683 136 1HG1 ILE 19 HG12 ILE 19 -2.573 3.929 -4.246 137 2HG1 ILE 19 HG11 ILE 19 -2.113 5.111 -5.465 138 1HG2 ILE 19 HG21 ILE 19 0.297 2.713 -4.033 139 2HG2 ILE 19 HG22 ILE 19 -0.744 3.050 -2.648 140 3HG2 ILE 19 HG23 ILE 19 0.866 3.766 -2.739 141 1HD1 ILE 19 HD11 ILE 19 -1.176 2.258 -5.322 142 2HD1 ILE 19 HD12 ILE 19 -0.704 3.437 -6.546 143 3HD1 ILE 19 HD13 ILE 19 -2.383 2.909 -6.429 144 H ALA 20 HN ALA 20 -0.853 5.579 -0.523 145 HA ALA 20 HA ALA 20 1.951 6.496 -0.412 146 1HB ALA 20 HB1 ALA 20 0.565 8.028 0.781 147 2HB ALA 20 HB2 ALA 20 1.442 7.078 1.967 148 3HB ALA 20 HB3 ALA 20 -0.253 6.725 1.629 149 H ILE 21 HN ILE 21 3.191 4.710 -0.312 150 HA ILE 21 HA ILE 21 2.304 2.580 1.503 151 HB ILE 21 HB ILE 21 4.239 2.393 -0.806 152 1HG1 ILE 21 HG12 ILE 21 1.466 1.256 -0.370 153 2HG1 ILE 21 HG11 ILE 21 1.895 2.538 -1.496 154 1HG2 ILE 21 HG21 ILE 21 4.349 0.013 -0.309 155 2HG2 ILE 21 HG22 ILE 21 3.287 0.238 1.079 156 3HG2 ILE 21 HG23 ILE 21 4.896 0.957 1.075 157 1HD1 ILE 21 HD11 ILE 21 3.252 0.957 -2.768 158 2HD1 ILE 21 HD12 ILE 21 1.574 0.431 -2.643 159 3HD1 ILE 21 HD13 ILE 21 2.811 -0.323 -1.639 160 H THR 22 HN THR 22 3.106 2.919 3.390 161 HA THR 22 HA THR 22 5.887 3.799 3.706 162 HB THR 22 HB THR 22 3.770 3.614 5.857 163 HG1 THR 22 HG1 THR 22 3.415 5.073 3.864 164 1HG2 THR 22 HG21 THR 22 5.170 5.267 6.994 165 2HG2 THR 22 HG22 THR 22 6.293 5.265 5.633 166 3HG2 THR 22 HG23 THR 22 6.097 3.814 6.617 167 H TYR 23 HN TYR 23 7.012 1.867 3.473 168 HA TYR 23 HA TYR 23 6.092 -0.360 5.138 169 1HB TYR 23 HB2 TYR 23 7.548 -1.803 3.720 170 2HB TYR 23 HB1 TYR 23 6.234 -1.029 2.850 171 HD1 TYR 23 HD1 TYR 23 9.861 -1.249 3.256 172 HD2 TYR 23 HD2 TYR 23 6.696 0.701 1.189 173 HE1 TYR 23 HE1 TYR 23 11.464 -0.433 1.581 174 HE2 TYR 23 HE2 TYR 23 8.290 1.529 -0.487 175 HH TYR 23 HH TYR 23 10.650 1.956 -0.734 176 H VAL 24 HN VAL 24 7.156 -0.990 6.822 177 HA VAL 24 HA VAL 24 9.740 0.234 7.430 178 HB VAL 24 HB VAL 24 7.821 -1.334 9.171 179 1HG1 VAL 24 HG11 VAL 24 10.132 -1.748 9.858 180 2HG1 VAL 24 HG12 VAL 24 9.281 -0.758 11.045 181 3HG1 VAL 24 HG13 VAL 24 10.425 -0.010 9.931 182 1HG2 VAL 24 HG21 VAL 24 7.070 0.923 8.616 183 2HG2 VAL 24 HG22 VAL 24 8.608 1.576 9.185 184 3HG2 VAL 24 HG23 VAL 24 7.506 0.798 10.321 185 H TYR 25 HN TYR 25 11.567 -0.865 7.288 186 HA TYR 25 HA TYR 25 11.369 -3.791 7.020 187 1HB TYR 25 HB2 TYR 25 13.327 -3.703 5.528 188 2HB TYR 25 HB1 TYR 25 11.979 -2.776 4.884 189 HD1 TYR 25 HD1 TYR 25 15.410 -2.674 6.024 190 HD2 TYR 25 HD2 TYR 25 12.058 -0.277 4.964 191 HE1 TYR 25 HE1 TYR 25 16.891 -0.733 5.753 192 HE2 TYR 25 HE2 TYR 25 13.531 1.674 4.695 193 HH TYR 25 HH TYR 25 15.733 2.457 5.445 194 H LYS 26 HN LYS 26 12.925 -5.033 8.017 195 HA LYS 26 HA LYS 26 14.635 -3.601 9.941 196 1HB LYS 26 HB2 LYS 26 12.755 -4.844 11.000 197 2HB LYS 26 HB1 LYS 26 13.364 -6.328 10.282 198 1HG LYS 26 HG2 LYS 26 15.427 -6.107 11.569 199 2HG LYS 26 HG1 LYS 26 14.817 -4.614 12.287 200 1HD LYS 26 HD2 LYS 26 13.491 -7.315 12.532 201 2HD LYS 26 HD1 LYS 26 14.535 -6.592 13.756 202 1HE LYS 26 HE2 LYS 26 12.984 -4.714 13.974 203 2HE LYS 26 HE1 LYS 26 11.948 -5.420 12.734 204 1HZ LYS 26 HZ1 LYS 26 11.254 -5.827 15.092 205 2HZ LYS 26 HZ2 LYS 26 12.619 -6.819 15.263 206 3HZ LYS 26 HZ3 LYS 26 11.412 -7.222 14.140 207 H GLY 27 HN GLY 27 16.452 -3.567 8.691 208 1HA GLY 27 HA2 GLY 27 18.499 -4.473 8.055 209 2HA GLY 27 HA1 GLY 27 17.854 -6.080 8.369 210 H ASP 28 HN ASP 28 17.660 -7.293 6.620 211 HA ASP 28 HA ASP 28 17.480 -5.964 4.014 212 1HB ASP 28 HB2 ASP 28 18.267 -8.039 3.049 213 2HB ASP 28 HB1 ASP 28 19.320 -7.593 4.385 214 H LYS 29 HN LYS 29 15.330 -7.035 6.172 215 HA LYS 29 HA LYS 29 13.545 -8.105 4.085 216 1HB LYS 29 HB2 LYS 29 14.230 -9.772 5.868 217 2HB LYS 29 HB1 LYS 29 13.365 -8.773 7.022 218 1HG LYS 29 HG2 LYS 29 11.294 -9.108 5.802 219 2HG LYS 29 HG1 LYS 29 12.146 -10.071 4.594 220 1HD LYS 29 HD2 LYS 29 12.709 -11.726 6.291 221 2HD LYS 29 HD1 LYS 29 11.904 -10.752 7.524 222 1HE LYS 29 HE2 LYS 29 10.421 -12.514 6.838 223 2HE LYS 29 HE1 LYS 29 9.789 -10.976 6.255 224 1HZ LYS 29 HZ1 LYS 29 11.145 -11.650 4.130 225 2HZ LYS 29 HZ2 LYS 29 9.581 -12.242 4.395 226 3HZ LYS 29 HZ3 LYS 29 10.924 -13.217 4.741 227 H VAL 30 HN VAL 30 11.683 -7.052 3.770 228 HA VAL 30 HA VAL 30 10.923 -4.861 5.513 229 HB VAL 30 HB VAL 30 9.380 -5.964 3.154 230 1HG1 VAL 30 HG11 VAL 30 9.353 -3.246 4.459 231 2HG1 VAL 30 HG12 VAL 30 8.119 -4.493 4.650 232 3HG1 VAL 30 HG13 VAL 30 8.382 -3.744 3.074 233 1HG2 VAL 30 HG21 VAL 30 10.450 -4.241 1.794 234 2HG2 VAL 30 HG22 VAL 30 11.637 -5.377 2.436 235 3HG2 VAL 30 HG23 VAL 30 11.459 -3.779 3.164 236 H LEU 31 HN LEU 31 9.238 -4.941 7.005 237 HA LEU 31 HA LEU 31 8.094 -7.631 7.344 238 1HB LEU 31 HB2 LEU 31 9.137 -5.751 9.448 239 2HB LEU 31 HB1 LEU 31 8.202 -7.194 9.809 240 HG LEU 31 HG LEU 31 10.845 -7.183 8.344 241 1HD1 LEU 31 HD11 LEU 31 10.235 -7.976 11.184 242 2HD1 LEU 31 HD12 LEU 31 11.111 -6.530 10.684 243 3HD1 LEU 31 HD13 LEU 31 11.790 -8.127 10.363 244 1HD2 LEU 31 HD21 LEU 31 9.166 -9.445 9.414 245 2HD2 LEU 31 HD22 LEU 31 10.762 -9.600 8.681 246 3HD2 LEU 31 HD23 LEU 31 9.400 -9.035 7.715 247 H LYS 32 HN LYS 32 7.394 -4.242 7.255 248 HA LYS 32 HA LYS 32 4.573 -4.977 7.412 249 1HB LYS 32 HB2 LYS 32 5.227 -4.247 9.718 250 2HB LYS 32 HB1 LYS 32 5.653 -2.674 9.053 251 1HG LYS 32 HG2 LYS 32 3.257 -2.576 8.185 252 2HG LYS 32 HG1 LYS 32 2.944 -3.946 9.254 253 1HD LYS 32 HD2 LYS 32 4.126 -1.334 10.187 254 2HD LYS 32 HD1 LYS 32 2.400 -1.691 10.218 255 1HE LYS 32 HE2 LYS 32 4.486 -3.375 11.589 256 2HE LYS 32 HE1 LYS 32 3.610 -2.067 12.381 257 1HZ LYS 32 HZ1 LYS 32 1.530 -3.250 11.859 258 2HZ LYS 32 HZ2 LYS 32 2.555 -4.150 12.861 259 3HZ LYS 32 HZ3 LYS 32 2.430 -4.540 11.216 260 H GLN 33 HN GLN 33 3.674 -4.230 5.638 261 HA GLN 33 HA GLN 33 4.738 -1.766 4.429 262 1HB GLN 33 HB2 GLN 33 4.867 -3.850 3.068 263 2HB GLN 33 HB1 GLN 33 3.114 -3.963 3.134 264 1HG GLN 33 HG2 GLN 33 2.979 -1.771 1.995 265 2HG GLN 33 HG1 GLN 33 4.735 -1.785 1.841 266 1HE2 GLN 33 HE21 GLN 33 4.725 -1.812 -0.381 267 2HE2 GLN 33 HE22 GLN 33 4.215 -3.180 -1.300 268 H SER 34 HN SER 34 3.525 -0.090 5.129 269 HA SER 34 HA SER 34 0.649 -0.404 5.447 270 1HB SER 34 HB2 SER 34 2.280 2.124 5.779 271 2HB SER 34 HB1 SER 34 0.685 1.774 6.447 272 HG SER 34 HG SER 34 3.206 0.894 7.271 273 H SER 35 HN SER 35 -0.433 -0.428 3.544 274 HA SER 35 HA SER 35 0.420 1.458 1.452 275 1HB SER 35 HB2 SER 35 0.493 -0.941 0.813 276 2HB SER 35 HB1 SER 35 -1.227 -1.075 1.175 277 HG SER 35 HG SER 35 -1.340 -0.604 -0.894 278 H GLU 36 HN GLU 36 -0.761 3.276 1.693 279 HA GLU 36 HA GLU 36 -3.612 2.926 2.333 280 1HB GLU 36 HB2 GLU 36 -2.114 4.063 4.025 281 2HB GLU 36 HB1 GLU 36 -1.926 5.361 2.865 282 1HG GLU 36 HG2 GLU 36 -4.133 6.040 3.071 283 2HG GLU 36 HG1 GLU 36 -4.637 4.496 3.765 284 H THR 37 HN THR 37 -4.705 3.040 0.511 285 HA THR 37 HA THR 37 -3.778 4.843 -1.612 286 HB THR 37 HB THR 37 -5.739 2.547 -1.789 287 HG1 THR 37 HG1 THR 37 -3.190 2.381 -1.432 288 1HG2 THR 37 HG21 THR 37 -6.086 4.193 -3.542 289 2HG2 THR 37 HG22 THR 37 -5.350 2.739 -4.216 290 3HG2 THR 37 HG23 THR 37 -4.367 4.175 -3.928 291 H LYS 38 HN LYS 38 -4.726 6.759 -1.562 292 HA LYS 38 HA LYS 38 -7.442 7.074 -0.584 293 1HB LYS 38 HB2 LYS 38 -5.710 8.670 0.083 294 2HB LYS 38 HB1 LYS 38 -5.440 9.085 -1.600 295 1HG LYS 38 HG2 LYS 38 -7.756 9.936 -1.723 296 2HG LYS 38 HG1 LYS 38 -7.926 9.612 0.006 297 1HD LYS 38 HD2 LYS 38 -6.219 11.175 0.548 298 2HD LYS 38 HD1 LYS 38 -5.750 11.344 -1.143 299 1HE LYS 38 HE2 LYS 38 -8.149 12.187 -1.504 300 2HE LYS 38 HE1 LYS 38 -8.191 12.382 0.249 301 1HZ LYS 38 HZ1 LYS 38 -7.513 14.413 -0.915 302 2HZ LYS 38 HZ2 LYS 38 -6.164 13.599 -1.549 303 3HZ LYS 38 HZ3 LYS 38 -6.302 13.845 0.130 304 H ILE 39 HN ILE 39 -9.033 6.593 -1.950 305 HA ILE 39 HA ILE 39 -8.637 7.047 -4.822 306 HB ILE 39 HB ILE 39 -10.848 5.505 -3.453 307 1HG1 ILE 39 HG12 ILE 39 -8.321 4.485 -4.771 308 2HG1 ILE 39 HG11 ILE 39 -8.658 4.462 -3.042 309 1HG2 ILE 39 HG21 ILE 39 -11.238 4.568 -5.690 310 2HG2 ILE 39 HG22 ILE 39 -9.985 5.625 -6.341 311 3HG2 ILE 39 HG23 ILE 39 -11.457 6.317 -5.660 312 1HD1 ILE 39 HD11 ILE 39 -10.194 2.968 -5.153 313 2HD1 ILE 39 HD12 ILE 39 -10.516 2.935 -3.420 314 3HD1 ILE 39 HD13 ILE 39 -9.005 2.278 -4.050 315 H GLN 40 HN GLN 40 -9.519 8.789 -5.718 316 HA GLN 40 HA GLN 40 -11.512 10.364 -4.380 317 1HB GLN 40 HB2 GLN 40 -10.411 10.509 -7.194 318 2HB GLN 40 HB1 GLN 40 -11.512 11.687 -6.495 319 1HG GLN 40 HG2 GLN 40 -8.754 11.066 -5.455 320 2HG GLN 40 HG1 GLN 40 -9.169 12.431 -6.492 321 1HE2 GLN 40 HE21 GLN 40 -7.998 12.523 -3.873 322 2HE2 GLN 40 HE22 GLN 40 -9.096 13.415 -2.871 323 H PHE 41 HN PHE 41 -13.691 10.644 -5.026 324 HA PHE 41 HA PHE 41 -14.986 8.280 -5.857 325 1HB PHE 41 HB2 PHE 41 -15.920 11.093 -5.393 326 2HB PHE 41 HB1 PHE 41 -17.012 9.893 -6.072 327 HD1 PHE 41 HD1 PHE 41 -18.081 10.897 -3.798 328 HD2 PHE 41 HD2 PHE 41 -14.896 8.084 -4.036 329 HE1 PHE 41 HE1 PHE 41 -18.623 10.098 -1.537 330 HE2 PHE 41 HE2 PHE 41 -15.432 7.282 -1.773 331 HZ PHE 41 HZ PHE 41 -17.297 8.289 -0.520 332 H ALA 42 HN ALA 42 -13.712 10.932 -7.640 333 HA ALA 42 HA ALA 42 -15.353 10.799 -9.927 334 1HB ALA 42 HB1 ALA 42 -13.619 12.093 -11.034 335 2HB ALA 42 HB2 ALA 42 -12.496 11.735 -9.722 336 3HB ALA 42 HB3 ALA 42 -13.925 12.720 -9.414 337 H SER 43 HN SER 43 -12.416 9.057 -9.020 338 HA SER 43 HA SER 43 -12.148 7.921 -11.662 339 1HB SER 43 HB2 SER 43 -10.291 6.588 -10.330 340 2HB SER 43 HB1 SER 43 -10.049 8.272 -10.800 341 HG SER 43 HG SER 43 -10.109 8.853 -8.778 342 H ILE 44 HN ILE 44 -13.477 6.963 -8.579 343 HA ILE 44 HA ILE 44 -13.673 4.187 -9.356 344 HB ILE 44 HB ILE 44 -13.361 4.685 -7.000 345 1HG1 ILE 44 HG12 ILE 44 -16.106 3.540 -7.557 346 2HG1 ILE 44 HG11 ILE 44 -14.590 2.646 -7.579 347 1HG2 ILE 44 HG21 ILE 44 -16.028 6.077 -7.133 348 2HG2 ILE 44 HG22 ILE 44 -14.458 6.844 -6.893 349 3HG2 ILE 44 HG23 ILE 44 -15.106 5.758 -5.663 350 1HD1 ILE 44 HD11 ILE 44 -14.309 3.059 -5.194 351 2HD1 ILE 44 HD12 ILE 44 -15.837 2.246 -5.530 352 3HD1 ILE 44 HD13 ILE 44 -15.817 3.973 -5.172 353 H GLY 45 HN GLY 45 -15.661 7.037 -9.481 354 1HA GLY 45 HA2 GLY 45 -17.513 7.307 -10.900 355 2HA GLY 45 HA1 GLY 45 -17.636 5.559 -11.036 356 H ALA 46 HN ALA 46 -17.364 7.284 -8.007 357 HA ALA 46 HA ALA 46 -20.115 6.449 -7.362 358 1HB ALA 46 HB1 ALA 46 -18.425 5.252 -6.056 359 2HB ALA 46 HB2 ALA 46 -19.414 6.291 -5.032 360 3HB ALA 46 HB3 ALA 46 -17.782 6.789 -5.479 361 H THR 47 HN THR 47 -21.437 7.909 -6.241 362 HA THR 47 HA THR 47 -20.483 10.689 -6.287 363 HB THR 47 HB THR 47 -23.346 9.742 -6.065 364 HG1 THR 47 HG1 THR 47 -21.660 9.755 -8.192 365 1HG2 THR 47 HG21 THR 47 -22.154 12.411 -6.844 366 2HG2 THR 47 HG22 THR 47 -22.942 12.043 -5.309 367 3HG2 THR 47 HG23 THR 47 -23.874 12.019 -6.806 368 H THR 48 HN THR 48 -21.839 8.195 -4.255 369 HA THR 48 HA THR 48 -21.295 9.864 -1.914 370 HB THR 48 HB THR 48 -23.745 9.891 -2.369 371 HG1 THR 48 HG1 THR 48 -24.205 9.717 -0.267 372 1HG2 THR 48 HG21 THR 48 -23.971 7.690 -3.393 373 2HG2 THR 48 HG22 THR 48 -25.056 7.851 -2.011 374 3HG2 THR 48 HG23 THR 48 -23.564 6.921 -1.858 375 H LYS 49 HN LYS 49 -21.668 8.238 0.105 376 HA LYS 49 HA LYS 49 -19.423 6.527 -0.071 377 1HB LYS 49 HB2 LYS 49 -19.986 7.685 1.986 378 2HB LYS 49 HB1 LYS 49 -21.519 6.835 2.083 379 1HG LYS 49 HG2 LYS 49 -19.070 5.178 2.009 380 2HG LYS 49 HG1 LYS 49 -19.365 6.117 3.471 381 1HD LYS 49 HD2 LYS 49 -21.295 4.162 2.214 382 2HD LYS 49 HD1 LYS 49 -20.299 3.853 3.637 383 1HE LYS 49 HE2 LYS 49 -22.454 5.951 3.388 384 2HE LYS 49 HE1 LYS 49 -22.580 4.434 4.276 385 1HZ LYS 49 HZ1 LYS 49 -20.796 5.189 5.735 386 2HZ LYS 49 HZ2 LYS 49 -22.104 6.269 5.761 387 3HZ LYS 49 HZ3 LYS 49 -20.702 6.657 4.890 388 H GLU 50 HN GLU 50 -22.889 5.939 -0.176 389 HA GLU 50 HA GLU 50 -23.011 3.216 0.251 390 1HB GLU 50 HB2 GLU 50 -24.609 4.767 -1.790 391 2HB GLU 50 HB1 GLU 50 -25.052 3.218 -1.086 392 1HG GLU 50 HG2 GLU 50 -25.265 4.238 1.096 393 2HG GLU 50 HG1 GLU 50 -24.738 5.789 0.442 394 H ASP 51 HN ASP 51 -22.519 4.851 -2.874 395 HA ASP 51 HA ASP 51 -22.353 2.469 -4.389 396 1HB ASP 51 HB2 ASP 51 -21.281 5.226 -5.026 397 2HB ASP 51 HB1 ASP 51 -21.456 3.910 -6.183 398 H ALA 52 HN ALA 52 -19.914 4.550 -2.918 399 HA ALA 52 HA ALA 52 -17.652 3.244 -3.968 400 1HB ALA 52 HB1 ALA 52 -16.410 4.353 -2.175 401 2HB ALA 52 HB2 ALA 52 -17.928 4.778 -1.385 402 3HB ALA 52 HB3 ALA 52 -17.533 5.462 -2.961 403 H ALA 53 HN ALA 53 -19.456 2.792 -0.953 404 HA ALA 53 HA ALA 53 -17.798 0.823 0.159 405 1HB ALA 53 HB1 ALA 53 -19.470 2.059 1.456 406 2HB ALA 53 HB2 ALA 53 -19.653 0.314 1.638 407 3HB ALA 53 HB3 ALA 53 -20.756 1.213 0.593 408 H LYS 54 HN LYS 54 -20.772 0.510 -1.789 409 HA LYS 54 HA LYS 54 -20.838 -2.301 -1.694 410 1HB LYS 54 HB2 LYS 54 -22.018 -0.366 -3.683 411 2HB LYS 54 HB1 LYS 54 -22.327 -2.098 -3.718 412 1HG LYS 54 HG2 LYS 54 -23.204 -1.936 -1.406 413 2HG LYS 54 HG1 LYS 54 -23.007 -0.186 -1.496 414 1HD LYS 54 HD2 LYS 54 -24.683 -1.781 -3.425 415 2HD LYS 54 HD1 LYS 54 -25.324 -1.039 -1.961 416 1HE LYS 54 HE2 LYS 54 -24.503 1.158 -2.797 417 2HE LYS 54 HE1 LYS 54 -24.047 0.363 -4.303 418 1HZ LYS 54 HZ1 LYS 54 -26.379 -0.286 -4.594 419 2HZ LYS 54 HZ2 LYS 54 -26.198 1.399 -4.521 420 3HZ LYS 54 HZ3 LYS 54 -26.794 0.554 -3.182 421 H THR 55 HN THR 55 -18.709 -0.256 -3.322 422 HA THR 55 HA THR 55 -17.963 -2.325 -5.252 423 HB THR 55 HB THR 55 -16.850 0.473 -4.948 424 HG1 THR 55 HG1 THR 55 -18.958 0.707 -5.598 425 1HG2 THR 55 HG21 THR 55 -16.640 -1.517 -7.214 426 2HG2 THR 55 HG22 THR 55 -15.343 -1.081 -6.102 427 3HG2 THR 55 HG23 THR 55 -15.991 0.124 -7.214 428 H LEU 56 HN LEU 56 -16.663 -0.499 -2.494 429 HA LEU 56 HA LEU 56 -14.062 -1.752 -2.797 430 1HB LEU 56 HB2 LEU 56 -15.065 0.331 -0.868 431 2HB LEU 56 HB1 LEU 56 -13.415 -0.258 -0.916 432 HG LEU 56 HG LEU 56 -14.817 1.201 -3.158 433 1HD1 LEU 56 HD11 LEU 56 -14.327 2.652 -1.268 434 2HD1 LEU 56 HD12 LEU 56 -13.272 3.020 -2.633 435 3HD1 LEU 56 HD13 LEU 56 -12.652 2.099 -1.262 436 1HD2 LEU 56 HD21 LEU 56 -11.955 0.281 -2.900 437 2HD2 LEU 56 HD22 LEU 56 -12.621 1.243 -4.220 438 3HD2 LEU 56 HD23 LEU 56 -13.171 -0.414 -3.971 439 H GLU 57 HN GLU 57 -16.785 -1.923 -0.569 440 HA GLU 57 HA GLU 57 -15.548 -3.163 1.586 441 1HB GLU 57 HB2 GLU 57 -18.361 -3.529 0.562 442 2HB GLU 57 HB1 GLU 57 -17.792 -4.097 2.125 443 1HG GLU 57 HG2 GLU 57 -17.736 -1.220 1.253 444 2HG GLU 57 HG1 GLU 57 -19.041 -1.948 2.190 445 HA PRO 58 HA PRO 58 -16.262 -7.483 -0.478 446 1HB PRO 58 HB2 PRO 58 -16.765 -7.531 -3.146 447 2HB PRO 58 HB1 PRO 58 -18.043 -7.512 -1.926 448 1HG PRO 58 HG2 PRO 58 -16.931 -5.246 -3.537 449 2HG PRO 58 HG1 PRO 58 -18.622 -5.627 -3.161 450 1HD PRO 58 HD2 PRO 58 -17.237 -3.734 -1.822 451 2HD PRO 58 HD1 PRO 58 -18.485 -4.726 -1.042 452 H LEU 59 HN LEU 59 -14.607 -4.797 -1.775 453 HA LEU 59 HA LEU 59 -12.663 -6.344 -3.268 454 1HB LEU 59 HB2 LEU 59 -13.432 -4.040 -3.933 455 2HB LEU 59 HB1 LEU 59 -12.593 -3.415 -2.530 456 HG LEU 59 HG LEU 59 -11.100 -4.977 -4.619 457 1HD1 LEU 59 HD11 LEU 59 -12.309 -3.220 -5.806 458 2HD1 LEU 59 HD12 LEU 59 -10.584 -2.866 -5.737 459 3HD1 LEU 59 HD13 LEU 59 -11.700 -2.021 -4.665 460 1HD2 LEU 59 HD21 LEU 59 -10.291 -2.775 -2.719 461 2HD2 LEU 59 HD22 LEU 59 -9.225 -3.629 -3.834 462 3HD2 LEU 59 HD23 LEU 59 -9.974 -4.495 -2.493 463 H SER 60 HN SER 60 -12.831 -4.517 -0.224 464 HA SER 60 HA SER 60 -10.176 -5.161 0.582 465 1HB SER 60 HB2 SER 60 -11.072 -4.504 2.881 466 2HB SER 60 HB1 SER 60 -11.187 -3.274 1.623 467 HG SER 60 HG SER 60 -13.176 -4.611 2.981 468 H ALA 61 HN ALA 61 -13.242 -6.757 0.728 469 HA ALA 61 HA ALA 61 -12.623 -8.722 2.668 470 1HB ALA 61 HB1 ALA 61 -14.591 -8.866 0.386 471 2HB ALA 61 HB2 ALA 61 -14.917 -8.210 1.991 472 3HB ALA 61 HB3 ALA 61 -14.555 -9.925 1.796 473 H LYS 62 HN LYS 62 -11.429 -8.252 -0.455 474 HA LYS 62 HA LYS 62 -10.964 -10.953 -1.199 475 1HB LYS 62 HB2 LYS 62 -9.486 -8.434 -1.982 476 2HB LYS 62 HB1 LYS 62 -9.267 -10.005 -2.742 477 1HG LYS 62 HG2 LYS 62 -11.578 -9.984 -3.492 478 2HG LYS 62 HG1 LYS 62 -11.833 -8.432 -2.690 479 1HD LYS 62 HD2 LYS 62 -10.147 -7.407 -4.137 480 2HD LYS 62 HD1 LYS 62 -9.887 -8.960 -4.936 481 1HE LYS 62 HE2 LYS 62 -12.497 -7.451 -4.868 482 2HE LYS 62 HE1 LYS 62 -11.364 -7.460 -6.219 483 1HZ LYS 62 HZ1 LYS 62 -11.723 -9.774 -6.545 484 2HZ LYS 62 HZ2 LYS 62 -13.250 -9.039 -6.439 485 3HZ LYS 62 HZ3 LYS 62 -12.634 -9.908 -5.123 486 H TYR 63 HN TYR 63 -9.310 -8.659 0.851 487 HA TYR 63 HA TYR 63 -6.930 -10.246 1.121 488 1HB TYR 63 HB2 TYR 63 -7.979 -7.951 2.799 489 2HB TYR 63 HB1 TYR 63 -6.418 -8.716 3.032 490 HD1 TYR 63 HD1 TYR 63 -4.557 -7.908 1.932 491 HD2 TYR 63 HD2 TYR 63 -8.416 -6.893 0.458 492 HE1 TYR 63 HE1 TYR 63 -3.530 -6.358 0.337 493 HE2 TYR 63 HE2 TYR 63 -7.398 -5.337 -1.150 494 HH TYR 63 HH TYR 63 -5.351 -4.061 -1.441 495 H LYS 64 HN LYS 64 -9.638 -9.447 3.285 496 HA LYS 64 HA LYS 64 -10.528 -10.489 5.094 497 1HB LYS 64 HB2 LYS 64 -9.258 -12.875 3.758 498 2HB LYS 64 HB1 LYS 64 -10.128 -13.016 5.279 499 1HG LYS 64 HG2 LYS 64 -12.167 -12.475 4.306 500 2HG LYS 64 HG1 LYS 64 -11.406 -11.753 2.889 501 1HD LYS 64 HD2 LYS 64 -10.980 -14.653 3.448 502 2HD LYS 64 HD1 LYS 64 -12.516 -14.128 2.756 503 1HE LYS 64 HE2 LYS 64 -11.064 -14.735 0.957 504 2HE LYS 64 HE1 LYS 64 -11.238 -12.982 0.952 505 1HZ LYS 64 HZ1 LYS 64 -9.078 -12.946 2.231 506 2HZ LYS 64 HZ2 LYS 64 -8.978 -13.409 0.610 507 3HZ LYS 64 HZ3 LYS 64 -8.906 -14.587 1.828 508 H ASN 65 HN ASN 65 -9.728 -12.094 7.010 509 HA ASN 65 HA ASN 65 -7.331 -10.785 7.976 510 1HB ASN 65 HB2 ASN 65 -7.883 -12.030 10.130 511 2HB ASN 65 HB1 ASN 65 -9.039 -10.816 9.599 512 1HD2 ASN 65 HD21 ASN 65 -11.054 -11.466 8.847 513 2HD2 ASN 65 HD22 ASN 65 -11.667 -13.062 9.119 514 H ILE 66 HN ILE 66 -6.085 -11.908 6.280 515 HA ILE 66 HA ILE 66 -5.495 -14.672 6.443 516 HB ILE 66 HB ILE 66 -3.706 -12.460 5.420 517 1HG1 ILE 66 HG12 ILE 66 -5.682 -14.159 3.882 518 2HG1 ILE 66 HG11 ILE 66 -5.966 -12.490 4.366 519 1HG2 ILE 66 HG21 ILE 66 -2.502 -14.533 5.755 520 2HG2 ILE 66 HG22 ILE 66 -2.713 -14.233 4.029 521 3HG2 ILE 66 HG23 ILE 66 -3.726 -15.421 4.849 522 1HD1 ILE 66 HD11 ILE 66 -3.817 -13.460 2.496 523 2HD1 ILE 66 HD12 ILE 66 -4.053 -11.787 3.005 524 3HD1 ILE 66 HD13 ILE 66 -5.294 -12.602 2.052 525 H ALA 67 HN ALA 67 -3.531 -11.913 7.383 526 HA ALA 67 HA ALA 67 -2.727 -13.282 9.826 527 1HB ALA 67 HB1 ALA 67 -0.973 -13.833 8.197 528 2HB ALA 67 HB2 ALA 67 -0.362 -12.788 9.480 529 3HB ALA 67 HB3 ALA 67 -0.721 -12.113 7.892 530 H GLY 68 HN GLY 68 -1.129 -10.516 8.425 531 1HA GLY 68 HA2 GLY 68 -2.480 -8.804 10.409 532 2HA GLY 68 HA1 GLY 68 -0.782 -8.635 9.979 533 H VAL 69 HN VAL 69 -3.315 -9.291 7.649 534 HA VAL 69 HA VAL 69 -2.758 -6.731 6.385 535 HB VAL 69 HB VAL 69 -4.342 -7.600 4.574 536 1HG1 VAL 69 HG11 VAL 69 -1.896 -7.534 4.378 537 2HG1 VAL 69 HG12 VAL 69 -2.607 -8.905 3.524 538 3HG1 VAL 69 HG13 VAL 69 -1.809 -9.154 5.078 539 1HG2 VAL 69 HG21 VAL 69 -5.420 -9.361 5.872 540 2HG2 VAL 69 HG22 VAL 69 -3.876 -10.199 6.029 541 3HG2 VAL 69 HG23 VAL 69 -4.624 -10.014 4.440 542 H GLU 70 HN GLU 70 -3.756 -5.175 7.440 543 HA GLU 70 HA GLU 70 -6.530 -5.529 8.277 544 1HB GLU 70 HB2 GLU 70 -4.652 -3.213 8.776 545 2HB GLU 70 HB1 GLU 70 -6.217 -3.472 9.538 546 1HG GLU 70 HG2 GLU 70 -5.361 -5.516 10.578 547 2HG GLU 70 HG1 GLU 70 -3.790 -5.225 9.837 548 H GLU 71 HN GLU 71 -8.131 -4.866 7.058 549 HA GLU 71 HA GLU 71 -7.588 -2.860 4.986 550 1HB GLU 71 HB2 GLU 71 -9.971 -3.960 4.244 551 2HB GLU 71 HB1 GLU 71 -8.403 -4.465 3.641 552 1HG GLU 71 HG2 GLU 71 -9.714 -6.389 4.258 553 2HG GLU 71 HG1 GLU 71 -8.330 -6.237 5.335 554 H LYS 72 HN LYS 72 -7.982 -0.999 6.104 555 HA LYS 72 HA LYS 72 -10.675 -0.701 7.247 556 1HB LYS 72 HB2 LYS 72 -8.798 -0.215 8.777 557 2HB LYS 72 HB1 LYS 72 -8.218 1.015 7.666 558 1HG LYS 72 HG2 LYS 72 -9.411 2.028 9.508 559 2HG LYS 72 HG1 LYS 72 -10.285 2.285 7.997 560 1HD LYS 72 HD2 LYS 72 -11.790 0.441 8.549 561 2HD LYS 72 HD1 LYS 72 -10.909 0.165 10.053 562 1HE LYS 72 HE2 LYS 72 -12.354 2.711 9.327 563 2HE LYS 72 HE1 LYS 72 -12.995 1.447 10.374 564 1HZ LYS 72 HZ1 LYS 72 -11.037 1.826 11.836 565 2HZ LYS 72 HZ2 LYS 72 -12.095 3.146 11.737 566 3HZ LYS 72 HZ3 LYS 72 -10.629 3.170 10.883 567 H LEU 73 HN LEU 73 -12.083 0.190 5.907 568 HA LEU 73 HA LEU 73 -11.134 2.002 3.821 569 1HB LEU 73 HB2 LEU 73 -13.683 0.460 4.222 570 2HB LEU 73 HB1 LEU 73 -13.559 1.735 3.023 571 HG LEU 73 HG LEU 73 -11.624 -0.567 3.039 572 1HD1 LEU 73 HD11 LEU 73 -13.862 -1.529 2.946 573 2HD1 LEU 73 HD12 LEU 73 -13.041 -1.667 1.391 574 3HD1 LEU 73 HD13 LEU 73 -14.283 -0.437 1.627 575 1HD2 LEU 73 HD21 LEU 73 -12.631 1.262 0.866 576 2HD2 LEU 73 HD22 LEU 73 -11.392 0.018 0.696 577 3HD2 LEU 73 HD23 LEU 73 -11.089 1.431 1.710 578 H THR 74 HN THR 74 -11.051 4.064 4.398 579 HA THR 74 HA THR 74 -13.131 5.112 6.184 580 HB THR 74 HB THR 74 -11.628 7.130 6.351 581 HG1 THR 74 HG1 THR 74 -9.569 5.464 5.341 582 1HG2 THR 74 HG21 THR 74 -10.042 6.066 7.881 583 2HG2 THR 74 HG22 THR 74 -10.459 4.488 7.217 584 3HG2 THR 74 HG23 THR 74 -11.670 5.422 8.095 585 H TYR 75 HN TYR 75 -14.808 5.931 5.175 586 HA TYR 75 HA TYR 75 -14.483 7.181 2.556 587 1HB TYR 75 HB2 TYR 75 -17.013 6.537 4.098 588 2HB TYR 75 HB1 TYR 75 -16.926 7.090 2.427 589 HD1 TYR 75 HD1 TYR 75 -16.214 4.263 4.690 590 HD2 TYR 75 HD2 TYR 75 -16.430 5.571 0.647 591 HE1 TYR 75 HE1 TYR 75 -16.046 1.931 3.934 592 HE2 TYR 75 HE2 TYR 75 -16.260 3.240 -0.119 593 HH TYR 75 HH TYR 75 -16.374 0.545 2.126 594 H THR 76 HN THR 76 -13.824 9.232 2.731 595 HA THR 76 HA THR 76 -14.905 10.855 4.924 596 HB THR 76 HB THR 76 -12.793 12.278 3.855 597 HG1 THR 76 HG1 THR 76 -11.358 10.072 4.170 598 1HG2 THR 76 HG21 THR 76 -11.595 11.573 5.882 599 2HG2 THR 76 HG22 THR 76 -12.771 10.282 6.124 600 3HG2 THR 76 HG23 THR 76 -13.278 11.967 6.232 601 H ASP 77 HN ASP 77 -16.717 10.703 3.068 602 HA ASP 77 HA ASP 77 -18.272 12.155 2.285 603 1HB ASP 77 HB2 ASP 77 -17.306 13.885 3.732 604 2HB ASP 77 HB1 ASP 77 -16.125 14.273 2.486 605 H THR 78 HN THR 78 -15.113 12.905 0.845 606 HA THR 78 HA THR 78 -16.469 13.000 -1.782 607 HB THR 78 HB THR 78 -13.856 14.378 -1.234 608 HG1 THR 78 HG1 THR 78 -16.363 15.035 -0.233 609 1HG2 THR 78 HG21 THR 78 -16.151 14.963 -3.113 610 2HG2 THR 78 HG22 THR 78 -14.620 14.207 -3.553 611 3HG2 THR 78 HG23 THR 78 -14.650 15.882 -3.004 612 H TYR 79 HN TYR 79 -14.167 11.370 0.078 613 HA TYR 79 HA TYR 79 -13.230 9.911 -2.244 614 1HB TYR 79 HB2 TYR 79 -10.830 10.095 -1.326 615 2HB TYR 79 HB1 TYR 79 -11.475 11.464 -2.222 616 HD1 TYR 79 HD1 TYR 79 -12.212 13.502 -0.988 617 HD2 TYR 79 HD2 TYR 79 -10.173 10.314 0.956 618 HE1 TYR 79 HE1 TYR 79 -11.676 14.997 0.885 619 HE2 TYR 79 HE2 TYR 79 -9.634 11.804 2.839 620 HH TYR 79 HH TYR 79 -11.132 14.820 3.275 621 H ALA 80 HN ALA 80 -12.309 7.892 -1.755 622 HA ALA 80 HA ALA 80 -12.940 6.930 0.960 623 1HB ALA 80 HB1 ALA 80 -14.480 6.031 -0.724 624 2HB ALA 80 HB2 ALA 80 -13.467 4.762 -0.033 625 3HB ALA 80 HB3 ALA 80 -13.110 5.400 -1.638 626 H GLN 81 HN GLN 81 -11.238 6.225 2.061 627 HA GLN 81 HA GLN 81 -8.742 5.838 0.564 628 1HB GLN 81 HB2 GLN 81 -9.006 7.602 2.429 629 2HB GLN 81 HB1 GLN 81 -8.965 6.238 3.531 630 1HG GLN 81 HG2 GLN 81 -6.767 5.637 2.829 631 2HG GLN 81 HG1 GLN 81 -6.801 6.836 1.535 632 1HE2 GLN 81 HE21 GLN 81 -4.965 7.864 2.320 633 2HE2 GLN 81 HE22 GLN 81 -4.988 8.828 3.752 634 H GLU 82 HN GLU 82 -8.037 3.833 0.307 635 HA GLU 82 HA GLU 82 -8.924 1.687 2.040 636 1HB GLU 82 HB2 GLU 82 -6.752 1.533 -0.056 637 2HB GLU 82 HB1 GLU 82 -7.677 0.209 0.636 638 1HG GLU 82 HG2 GLU 82 -9.657 0.923 -0.526 639 2HG GLU 82 HG1 GLU 82 -8.819 2.350 -1.141 640 H ASN 83 HN ASN 83 -8.089 2.270 4.050 641 HA ASN 83 HA ASN 83 -5.265 2.757 4.392 642 1HB ASN 83 HB2 ASN 83 -7.320 2.066 6.509 643 2HB ASN 83 HB1 ASN 83 -5.747 2.804 6.773 644 1HD2 ASN 83 HD21 ASN 83 -5.478 4.986 6.395 645 2HD2 ASN 83 HD22 ASN 83 -6.819 6.051 6.122 646 H VAL 84 HN VAL 84 -4.199 0.949 3.569 647 HA VAL 84 HA VAL 84 -5.027 -1.655 4.662 648 HB VAL 84 HB VAL 84 -3.275 -1.133 2.253 649 1HG1 VAL 84 HG11 VAL 84 -4.606 -3.658 3.228 650 2HG1 VAL 84 HG12 VAL 84 -2.880 -3.299 3.288 651 3HG1 VAL 84 HG13 VAL 84 -3.687 -3.489 1.732 652 1HG2 VAL 84 HG21 VAL 84 -5.222 -1.758 0.899 653 2HG2 VAL 84 HG22 VAL 84 -5.522 -0.297 1.841 654 3HG2 VAL 84 HG23 VAL 84 -6.207 -1.839 2.361 655 H THR 85 HN THR 85 -3.730 -2.743 5.967 656 HA THR 85 HA THR 85 -0.933 -1.845 6.214 657 HB THR 85 HB THR 85 -2.658 -2.941 8.452 658 HG1 THR 85 HG1 THR 85 -2.770 -0.554 7.403 659 1HG2 THR 85 HG21 THR 85 0.071 -1.642 8.483 660 2HG2 THR 85 HG22 THR 85 -0.255 -3.360 8.715 661 3HG2 THR 85 HG23 THR 85 -0.831 -2.186 9.898 662 H ILE 86 HN ILE 86 0.338 -3.400 5.403 663 HA ILE 86 HA ILE 86 -0.639 -6.173 5.515 664 HB ILE 86 HB ILE 86 1.422 -4.982 3.650 665 1HG1 ILE 86 HG12 ILE 86 -1.447 -5.785 3.103 666 2HG1 ILE 86 HG11 ILE 86 -0.875 -4.127 3.257 667 1HG2 ILE 86 HG21 ILE 86 1.202 -7.093 2.421 668 2HG2 ILE 86 HG22 ILE 86 0.104 -7.696 3.663 669 3HG2 ILE 86 HG23 ILE 86 1.787 -7.352 4.065 670 1HD1 ILE 86 HD11 ILE 86 -1.152 -4.757 0.931 671 2HD1 ILE 86 HD12 ILE 86 -0.025 -6.095 1.146 672 3HD1 ILE 86 HD13 ILE 86 0.542 -4.432 1.297 673 H ASP 87 HN ASP 87 0.170 -6.845 7.490 674 HA ASP 87 HA ASP 87 2.907 -6.541 8.205 675 1HB ASP 87 HB2 ASP 87 0.705 -8.334 9.188 676 2HB ASP 87 HB1 ASP 87 2.364 -8.584 9.726 677 H MET 88 HN MET 88 4.516 -7.344 7.104 678 HA MET 88 HA MET 88 4.131 -9.612 5.343 679 1HB MET 88 HB2 MET 88 6.494 -7.799 5.837 680 2HB MET 88 HB1 MET 88 6.534 -9.158 4.724 681 1HG MET 88 HG2 MET 88 4.631 -8.096 3.499 682 2HG MET 88 HG1 MET 88 4.838 -6.685 4.533 683 1HE MET 88 HE1 MET 88 5.017 -6.912 1.230 684 2HE MET 88 HE2 MET 88 6.298 -5.735 0.938 685 3HE MET 88 HE3 MET 88 5.026 -5.382 2.108 686 H GLU 89 HN GLU 89 4.407 -9.595 8.461 687 HA GLU 89 HA GLU 89 6.711 -11.291 8.844 688 1HB GLU 89 HB2 GLU 89 4.486 -10.591 10.772 689 2HB GLU 89 HB1 GLU 89 5.984 -11.410 11.186 690 1HG GLU 89 HG2 GLU 89 7.106 -9.281 10.201 691 2HG GLU 89 HG1 GLU 89 5.523 -8.550 10.472 692 H LYS 90 HN LYS 90 3.518 -11.676 7.854 693 HA LYS 90 HA LYS 90 3.832 -14.545 7.818 694 1HB LYS 90 HB2 LYS 90 2.770 -13.916 10.066 695 2HB LYS 90 HB1 LYS 90 1.358 -13.434 9.138 696 1HG LYS 90 HG2 LYS 90 1.198 -15.712 8.221 697 2HG LYS 90 HG1 LYS 90 2.572 -16.191 9.217 698 1HD LYS 90 HD2 LYS 90 -0.023 -15.090 10.290 699 2HD LYS 90 HD1 LYS 90 0.369 -16.807 10.185 700 1HE LYS 90 HE2 LYS 90 2.317 -16.424 11.641 701 2HE LYS 90 HE1 LYS 90 1.862 -14.726 11.777 702 1HZ LYS 90 HZ1 LYS 90 -0.203 -15.380 12.815 703 2HZ LYS 90 HZ2 LYS 90 1.105 -16.036 13.672 704 3HZ LYS 90 HZ3 LYS 90 0.188 -17.022 12.643 705 H VAL 91 HN VAL 91 3.760 -12.656 5.745 706 HA VAL 91 HA VAL 91 1.184 -12.480 4.568 707 HB VAL 91 HB VAL 91 2.710 -12.380 2.372 708 1HG1 VAL 91 HG11 VAL 91 1.284 -10.603 3.071 709 2HG1 VAL 91 HG12 VAL 91 2.886 -9.936 2.755 710 3HG1 VAL 91 HG13 VAL 91 2.354 -10.203 4.416 711 1HG2 VAL 91 HG21 VAL 91 4.778 -12.968 3.477 712 2HG2 VAL 91 HG22 VAL 91 4.584 -11.631 4.613 713 3HG2 VAL 91 HG23 VAL 91 4.857 -11.302 2.902 714 H ASP 92 HN ASP 92 0.064 -14.303 4.302 715 HA ASP 92 HA ASP 92 1.331 -16.666 3.223 716 1HB ASP 92 HB2 ASP 92 -0.503 -16.964 4.813 717 2HB ASP 92 HB1 ASP 92 -1.593 -16.076 3.752 718 H PHE 93 HN PHE 93 2.082 -16.243 1.235 719 HA PHE 93 HA PHE 93 0.736 -14.623 -0.649 720 1HB PHE 93 HB2 PHE 93 3.077 -16.501 -0.894 721 2HB PHE 93 HB1 PHE 93 2.465 -15.571 -2.256 722 HD1 PHE 93 HD1 PHE 93 2.227 -12.989 -1.803 723 HD2 PHE 93 HD2 PHE 93 4.769 -15.615 0.379 724 HE1 PHE 93 HE1 PHE 93 3.621 -11.076 -1.130 725 HE2 PHE 93 HE2 PHE 93 6.165 -13.707 1.057 726 HZ PHE 93 HZ PHE 93 5.592 -11.434 0.303 727 H LYS 94 HN LYS 94 -0.077 -17.607 0.391 728 HA LYS 94 HA LYS 94 -0.858 -18.722 -2.169 729 1HB LYS 94 HB2 LYS 94 -1.326 -19.739 0.644 730 2HB LYS 94 HB1 LYS 94 -1.658 -20.631 -0.838 731 1HG LYS 94 HG2 LYS 94 0.695 -20.636 -1.403 732 2HG LYS 94 HG1 LYS 94 1.061 -19.656 0.014 733 1HD LYS 94 HD2 LYS 94 1.627 -21.895 0.554 734 2HD LYS 94 HD1 LYS 94 0.137 -21.526 1.417 735 1HE LYS 94 HE2 LYS 94 0.022 -22.822 -1.273 736 2HE LYS 94 HE1 LYS 94 0.399 -23.791 0.149 737 1HZ LYS 94 HZ1 LYS 94 -2.053 -22.163 -0.269 738 2HZ LYS 94 HZ2 LYS 94 -1.679 -23.010 1.148 739 3HZ LYS 94 HZ3 LYS 94 -1.946 -23.855 -0.291 740 H ALA 95 HN ALA 95 -2.389 -17.342 0.726 741 HA ALA 95 HA ALA 95 -4.993 -17.290 -0.532 742 1HB ALA 95 HB1 ALA 95 -5.695 -16.022 1.429 743 2HB ALA 95 HB2 ALA 95 -4.016 -15.868 1.946 744 3HB ALA 95 HB3 ALA 95 -4.784 -17.455 1.910 745 H LEU 96 HN LEU 96 -2.274 -15.155 -0.047 746 HA LEU 96 HA LEU 96 -3.516 -12.799 -1.069 747 1HB LEU 96 HB2 LEU 96 -1.478 -12.940 0.437 748 2HB LEU 96 HB1 LEU 96 -0.568 -13.438 -0.969 749 HG LEU 96 HG LEU 96 -2.041 -10.861 -1.161 750 1HD1 LEU 96 HD11 LEU 96 -0.225 -9.669 -0.044 751 2HD1 LEU 96 HD12 LEU 96 0.504 -11.207 0.419 752 3HD1 LEU 96 HD13 LEU 96 -1.068 -10.744 1.072 753 1HD2 LEU 96 HD21 LEU 96 -0.050 -10.223 -2.421 754 2HD2 LEU 96 HD22 LEU 96 -0.736 -11.723 -3.047 755 3HD2 LEU 96 HD23 LEU 96 0.704 -11.769 -2.028 756 H GLN 97 HN GLN 97 -2.620 -15.651 -2.493 757 HA GLN 97 HA GLN 97 -1.478 -14.950 -4.943 758 1HB GLN 97 HB2 GLN 97 -1.625 -17.246 -4.054 759 2HB GLN 97 HB1 GLN 97 -3.362 -17.228 -4.310 760 1HG GLN 97 HG2 GLN 97 -2.998 -17.019 -6.722 761 2HG GLN 97 HG1 GLN 97 -1.254 -17.056 -6.452 762 1HE2 GLN 97 HE21 GLN 97 -2.962 -18.882 -7.974 763 2HE2 GLN 97 HE22 GLN 97 -2.702 -20.452 -7.293 764 H GLY 98 HN GLY 98 -4.738 -14.631 -3.800 765 1HA GLY 98 HA2 GLY 98 -5.818 -14.244 -6.481 766 2HA GLY 98 HA1 GLY 98 -6.723 -14.191 -4.975 767 H ILE 99 HN ILE 99 -4.056 -12.392 -4.455 768 HA ILE 99 HA ILE 99 -5.112 -9.895 -5.549 769 HB ILE 99 HB ILE 99 -4.744 -8.833 -3.252 770 1HG1 ILE 99 HG12 ILE 99 -5.043 -11.713 -2.373 771 2HG1 ILE 99 HG11 ILE 99 -3.574 -10.754 -2.241 772 1HG2 ILE 99 HG21 ILE 99 -7.053 -10.734 -3.618 773 2HG2 ILE 99 HG22 ILE 99 -6.948 -9.084 -4.231 774 3HG2 ILE 99 HG23 ILE 99 -7.012 -9.377 -2.493 775 1HD1 ILE 99 HD11 ILE 99 -4.723 -9.231 -0.711 776 2HD1 ILE 99 HD12 ILE 99 -4.705 -10.890 -0.114 777 3HD1 ILE 99 HD13 ILE 99 -6.175 -10.225 -0.827 778 H SER 100 HN SER 100 -3.389 -8.283 -3.888 779 HA SER 100 HA SER 100 -0.771 -9.232 -3.707 780 1HB SER 100 HB2 SER 100 0.225 -7.782 -5.562 781 2HB SER 100 HB1 SER 100 -0.571 -9.276 -6.071 782 HG SER 100 HG SER 100 -2.009 -8.138 -7.099 783 H GLY 101 HN GLY 101 -2.475 -6.307 -4.655 784 1HA GLY 101 HA2 GLY 101 -2.605 -4.273 -3.466 785 2HA GLY 101 HA1 GLY 101 -1.369 -4.873 -2.360 786 H ILE 102 HN ILE 102 0.448 -5.767 -4.287 787 HA ILE 102 HA ILE 102 1.561 -3.255 -5.244 788 HB ILE 102 HB ILE 102 2.827 -5.972 -5.557 789 1HG1 ILE 102 HG12 ILE 102 2.967 -4.167 -3.135 790 2HG1 ILE 102 HG11 ILE 102 2.164 -5.727 -3.200 791 1HG2 ILE 102 HG21 ILE 102 4.906 -4.681 -5.481 792 2HG2 ILE 102 HG22 ILE 102 3.978 -3.198 -5.258 793 3HG2 ILE 102 HG23 ILE 102 3.841 -4.106 -6.764 794 1HD1 ILE 102 HD11 ILE 102 4.301 -5.913 -2.092 795 2HD1 ILE 102 HD12 ILE 102 5.117 -5.238 -3.502 796 3HD1 ILE 102 HD13 ILE 102 4.320 -6.808 -3.612 797 H ASN 103 HN ASN 103 0.054 -2.871 -6.922 798 HA ASN 103 HA ASN 103 -0.466 -4.875 -8.914 799 1HB ASN 103 HB2 ASN 103 -1.321 -2.006 -8.591 800 2HB ASN 103 HB1 ASN 103 -1.738 -2.948 -10.021 801 1HD2 ASN 103 HD21 ASN 103 -3.414 -1.788 -7.875 802 2HD2 ASN 103 HD22 ASN 103 -4.333 -3.115 -7.258 803 H VAL 104 HN VAL 104 2.279 -3.963 -8.621 804 HA VAL 104 HA VAL 104 2.845 -2.695 -11.176 805 HB VAL 104 HB VAL 104 4.781 -3.727 -9.096 806 1HG1 VAL 104 HG11 VAL 104 5.764 -3.600 -11.320 807 2HG1 VAL 104 HG12 VAL 104 6.439 -2.356 -10.268 808 3HG1 VAL 104 HG13 VAL 104 5.228 -1.928 -11.476 809 1HG2 VAL 104 HG21 VAL 104 3.811 -0.914 -9.592 810 2HG2 VAL 104 HG22 VAL 104 5.078 -1.380 -8.458 811 3HG2 VAL 104 HG23 VAL 104 3.419 -1.919 -8.197 812 H SER 105 HN SER 105 3.744 -5.634 -9.464 813 HA SER 105 HA SER 105 3.275 -7.224 -11.832 814 1HB SER 105 HB2 SER 105 5.994 -7.202 -10.487 815 2HB SER 105 HB1 SER 105 5.495 -8.289 -11.781 816 HG SER 105 HG SER 105 5.012 -5.789 -12.560 817 H ALA 106 HN ALA 106 1.968 -8.757 -11.048 818 HA ALA 106 HA ALA 106 1.958 -9.614 -8.335 819 1HB ALA 106 HB1 ALA 106 0.384 -11.331 -9.086 820 2HB ALA 106 HB2 ALA 106 0.759 -10.945 -10.766 821 3HB ALA 106 HB3 ALA 106 -0.040 -9.749 -9.744 822 H GLU 107 HN GLU 107 3.596 -10.583 -11.219 823 HA GLU 107 HA GLU 107 4.608 -13.075 -10.581 824 1HB GLU 107 HB2 GLU 107 5.004 -12.059 -12.737 825 2HB GLU 107 HB1 GLU 107 5.900 -10.739 -12.003 826 1HG GLU 107 HG2 GLU 107 7.441 -12.236 -13.043 827 2HG GLU 107 HG1 GLU 107 7.628 -12.358 -11.295 828 H ASP 108 HN ASP 108 5.919 -9.883 -9.717 829 HA ASP 108 HA ASP 108 8.174 -10.929 -8.334 830 1HB ASP 108 HB2 ASP 108 7.801 -8.568 -9.397 831 2HB ASP 108 HB1 ASP 108 7.075 -8.177 -7.843 832 H ALA 109 HN ALA 109 4.909 -10.179 -7.451 833 HA ALA 109 HA ALA 109 5.257 -9.966 -4.650 834 1HB ALA 109 HB1 ALA 109 3.263 -9.134 -5.808 835 2HB ALA 109 HB2 ALA 109 2.847 -10.247 -4.504 836 3HB ALA 109 HB3 ALA 109 2.793 -10.793 -6.179 837 H LYS 110 HN LYS 110 4.093 -12.695 -6.654 838 HA LYS 110 HA LYS 110 4.117 -14.516 -4.435 839 1HB LYS 110 HB2 LYS 110 3.610 -16.247 -6.094 840 2HB LYS 110 HB1 LYS 110 2.568 -14.847 -6.297 841 1HG LYS 110 HG2 LYS 110 3.901 -14.101 -8.186 842 2HG LYS 110 HG1 LYS 110 5.003 -15.461 -7.962 843 1HD LYS 110 HD2 LYS 110 3.150 -17.017 -8.377 844 2HD LYS 110 HD1 LYS 110 2.064 -15.650 -8.624 845 1HE LYS 110 HE2 LYS 110 2.781 -16.541 -10.757 846 2HE LYS 110 HE1 LYS 110 3.438 -14.923 -10.526 847 1HZ LYS 110 HZ1 LYS 110 5.004 -17.352 -9.875 848 2HZ LYS 110 HZ2 LYS 110 5.568 -15.769 -10.136 849 3HZ LYS 110 HZ3 LYS 110 4.989 -16.686 -11.431 850 H LYS 111 HN LYS 111 6.488 -13.163 -6.213 851 HA LYS 111 HA LYS 111 8.358 -15.351 -6.307 852 1HB LYS 111 HB2 LYS 111 8.600 -13.818 -8.041 853 2HB LYS 111 HB1 LYS 111 8.324 -12.439 -6.998 854 1HG LYS 111 HG2 LYS 111 10.582 -12.809 -6.023 855 2HG LYS 111 HG1 LYS 111 10.838 -14.072 -7.238 856 1HD LYS 111 HD2 LYS 111 10.629 -12.534 -9.020 857 2HD LYS 111 HD1 LYS 111 9.986 -11.282 -7.962 858 1HE LYS 111 HE2 LYS 111 12.191 -11.216 -6.811 859 2HE LYS 111 HE1 LYS 111 12.803 -12.343 -8.025 860 1HZ LYS 111 HZ1 LYS 111 11.600 -9.699 -8.657 861 2HZ LYS 111 HZ2 LYS 111 12.374 -10.758 -9.738 862 3HZ LYS 111 HZ3 LYS 111 13.272 -9.978 -8.531 863 H GLY 112 HN GLY 112 7.245 -13.156 -3.983 864 1HA GLY 112 HA2 GLY 112 7.834 -13.291 -1.694 865 2HA GLY 112 HA1 GLY 112 9.392 -13.965 -2.159 866 H ILE 113 HN ILE 113 7.697 -11.163 -1.292 867 HA ILE 113 HA ILE 113 9.358 -9.246 -2.602 868 HB ILE 113 HB ILE 113 7.421 -8.902 -0.312 869 1HG1 ILE 113 HG12 ILE 113 6.364 -9.707 -2.375 870 2HG1 ILE 113 HG11 ILE 113 5.891 -8.046 -2.031 871 1HG2 ILE 113 HG21 ILE 113 9.037 -7.092 -0.337 872 2HG2 ILE 113 HG22 ILE 113 7.460 -6.514 -0.879 873 3HG2 ILE 113 HG23 ILE 113 8.737 -6.824 -2.055 874 1HD1 ILE 113 HD11 ILE 113 7.506 -7.255 -3.690 875 2HD1 ILE 113 HD12 ILE 113 6.321 -8.357 -4.393 876 3HD1 ILE 113 HD13 ILE 113 7.953 -8.925 -4.041 877 H THR 114 HN THR 114 11.377 -8.840 -2.066 878 HA THR 114 HA THR 114 12.186 -8.964 0.756 879 HB THR 114 HB THR 114 14.520 -8.857 -0.133 880 HG1 THR 114 HG1 THR 114 13.490 -9.480 -2.687 881 1HG2 THR 114 HG21 THR 114 12.828 -11.117 -1.209 882 2HG2 THR 114 HG22 THR 114 13.525 -11.018 0.408 883 3HG2 THR 114 HG23 THR 114 14.579 -11.157 -1.000 884 H MET 115 HN MET 115 14.168 -7.252 1.013 885 HA MET 115 HA MET 115 12.890 -4.690 0.833 886 1HB MET 115 HB2 MET 115 14.434 -5.529 2.706 887 2HB MET 115 HB1 MET 115 15.763 -5.187 1.609 888 1HG MET 115 HG2 MET 115 13.736 -3.118 2.391 889 2HG MET 115 HG1 MET 115 15.201 -3.417 3.322 890 1HE MET 115 HE1 MET 115 15.662 0.008 1.325 891 2HE MET 115 HE2 MET 115 15.551 -0.704 2.935 892 3HE MET 115 HE3 MET 115 14.134 -0.674 1.884 893 H ALA 116 HN ALA 116 15.668 -6.276 -0.681 894 HA ALA 116 HA ALA 116 16.532 -4.154 -2.294 895 1HB ALA 116 HB1 ALA 116 16.662 -7.109 -2.888 896 2HB ALA 116 HB2 ALA 116 17.836 -6.196 -1.941 897 3HB ALA 116 HB3 ALA 116 17.630 -5.851 -3.657 898 H GLN 117 HN GLN 117 13.923 -6.456 -2.711 899 HA GLN 117 HA GLN 117 13.293 -5.808 -5.388 900 1HB GLN 117 HB2 GLN 117 11.927 -7.199 -3.164 901 2HB GLN 117 HB1 GLN 117 10.898 -6.552 -4.438 902 1HG GLN 117 HG2 GLN 117 11.807 -7.917 -6.057 903 2HG GLN 117 HG1 GLN 117 13.302 -8.164 -5.157 904 1HE2 GLN 117 HE21 GLN 117 9.964 -9.090 -5.493 905 2HE2 GLN 117 HE22 GLN 117 10.081 -10.542 -4.540 906 H MET 118 HN MET 118 11.593 -4.722 -2.425 907 HA MET 118 HA MET 118 9.979 -2.805 -3.434 908 1HB MET 118 HB2 MET 118 11.649 -2.625 -0.927 909 2HB MET 118 HB1 MET 118 10.347 -1.511 -1.313 910 1HG MET 118 HG2 MET 118 9.919 -4.474 -1.113 911 2HG MET 118 HG1 MET 118 9.829 -3.410 0.285 912 1HE MET 118 HE1 MET 118 6.862 -3.496 -3.246 913 2HE MET 118 HE2 MET 118 8.093 -4.717 -2.924 914 3HE MET 118 HE3 MET 118 8.566 -3.116 -3.490 915 H GLU 119 HN GLU 119 13.415 -2.279 -2.650 916 HA GLU 119 HA GLU 119 13.574 0.414 -3.336 917 1HB GLU 119 HB2 GLU 119 15.624 -1.790 -3.416 918 2HB GLU 119 HB1 GLU 119 16.025 -0.112 -3.756 919 1HG GLU 119 HG2 GLU 119 14.745 -1.028 -1.197 920 2HG GLU 119 HG1 GLU 119 16.487 -0.874 -1.425 921 H LEU 120 HN LEU 120 14.572 -2.336 -5.400 922 HA LEU 120 HA LEU 120 15.067 -0.635 -7.645 923 1HB LEU 120 HB2 LEU 120 15.032 -3.604 -7.232 924 2HB LEU 120 HB1 LEU 120 15.163 -2.937 -8.846 925 HG LEU 120 HG LEU 120 17.233 -1.755 -8.160 926 1HD1 LEU 120 HD11 LEU 120 16.813 -1.574 -5.768 927 2HD1 LEU 120 HD12 LEU 120 18.343 -2.392 -6.080 928 3HD1 LEU 120 HD13 LEU 120 16.924 -3.325 -5.606 929 1HD2 LEU 120 HD21 LEU 120 17.224 -4.736 -7.730 930 2HD2 LEU 120 HD22 LEU 120 18.644 -3.754 -8.088 931 3HD2 LEU 120 HD23 LEU 120 17.352 -3.904 -9.280 932 H VAL 121 HN VAL 121 12.343 -2.334 -6.483 933 HA VAL 121 HA VAL 121 10.947 -2.505 -8.990 934 HB VAL 121 HB VAL 121 10.357 -3.235 -6.145 935 1HG1 VAL 121 HG11 VAL 121 8.278 -2.227 -6.974 936 2HG1 VAL 121 HG12 VAL 121 8.141 -3.959 -6.678 937 3HG1 VAL 121 HG13 VAL 121 8.297 -3.357 -8.331 938 1HG2 VAL 121 HG21 VAL 121 10.028 -5.452 -7.141 939 2HG2 VAL 121 HG22 VAL 121 11.618 -4.784 -7.512 940 3HG2 VAL 121 HG23 VAL 121 10.347 -4.771 -8.736 941 H MET 122 HN MET 122 10.724 -0.494 -6.051 942 HA MET 122 HA MET 122 8.648 1.185 -7.007 943 1HB MET 122 HB2 MET 122 10.669 1.308 -4.846 944 2HB MET 122 HB1 MET 122 10.065 2.856 -5.409 945 1HG MET 122 HG2 MET 122 8.812 2.131 -3.495 946 2HG MET 122 HG1 MET 122 7.778 2.136 -4.918 947 1HE MET 122 HE1 MET 122 7.702 -0.311 -6.427 948 2HE MET 122 HE2 MET 122 6.270 0.201 -5.532 949 3HE MET 122 HE3 MET 122 6.800 -1.479 -5.462 950 H LYS 123 HN LYS 123 12.117 1.159 -7.389 951 HA LYS 123 HA LYS 123 12.334 3.686 -8.682 952 1HB LYS 123 HB2 LYS 123 14.221 2.665 -7.531 953 2HB LYS 123 HB1 LYS 123 14.182 1.295 -8.629 954 1HG LYS 123 HG2 LYS 123 14.881 2.670 -10.464 955 2HG LYS 123 HG1 LYS 123 14.753 4.125 -9.472 956 1HD LYS 123 HD2 LYS 123 16.544 3.364 -8.045 957 2HD LYS 123 HD1 LYS 123 16.611 1.820 -8.895 958 1HE LYS 123 HE2 LYS 123 17.137 4.491 -10.186 959 2HE LYS 123 HE1 LYS 123 18.396 3.434 -9.547 960 1HZ LYS 123 HZ1 LYS 123 16.471 2.690 -11.687 961 2HZ LYS 123 HZ2 LYS 123 17.740 1.733 -11.105 962 3HZ LYS 123 HZ3 LYS 123 18.076 3.170 -11.944 963 H ALA 124 HN ALA 124 11.711 0.417 -9.759 964 HA ALA 124 HA ALA 124 12.251 0.762 -12.501 965 1HB ALA 124 HB1 ALA 124 10.292 -1.126 -11.202 966 2HB ALA 124 HB2 ALA 124 12.008 -1.438 -11.463 967 3HB ALA 124 HB3 ALA 124 10.926 -1.253 -12.843 968 H ALA 125 HN ALA 125 9.313 1.274 -10.595 969 HA ALA 125 HA ALA 125 7.801 2.070 -12.936 970 1HB ALA 125 HB1 ALA 125 7.065 2.210 -10.012 971 2HB ALA 125 HB2 ALA 125 6.662 0.899 -11.122 972 3HB ALA 125 HB3 ALA 125 5.973 2.506 -11.366 973 H GLY 126 HN GLY 126 9.889 3.532 -10.686 974 1HA GLY 126 HA2 GLY 126 10.692 5.698 -10.643 975 2HA GLY 126 HA1 GLY 126 9.554 6.105 -11.921 976 H PHE 127 HN PHE 127 9.114 4.848 -8.622 977 HA PHE 127 HA PHE 127 6.921 6.661 -8.197 978 1HB PHE 127 HB2 PHE 127 8.258 4.620 -6.425 979 2HB PHE 127 HB1 PHE 127 6.943 5.648 -5.868 980 HD1 PHE 127 HD1 PHE 127 4.960 5.692 -7.808 981 HD2 PHE 127 HD2 PHE 127 7.590 2.479 -6.883 982 HE1 PHE 127 HE1 PHE 127 3.309 4.094 -8.684 983 HE2 PHE 127 HE2 PHE 127 5.946 0.876 -7.761 984 HZ PHE 127 HZ PHE 127 3.800 1.681 -8.664 985 H LYS 128 HN LYS 128 6.944 7.691 -5.839 986 HA LYS 128 HA LYS 128 9.349 9.387 -5.760 987 1HB LYS 128 HB2 LYS 128 7.414 10.637 -6.508 988 2HB LYS 128 HB1 LYS 128 6.465 10.056 -5.147 989 1HG LYS 128 HG2 LYS 128 8.098 11.236 -3.642 990 2HG LYS 128 HG1 LYS 128 8.774 11.978 -5.095 991 1HD LYS 128 HD2 LYS 128 6.623 12.970 -5.620 992 2HD LYS 128 HD1 LYS 128 5.891 12.169 -4.228 993 1HE LYS 128 HE2 LYS 128 7.469 13.410 -2.761 994 2HE LYS 128 HE1 LYS 128 8.035 14.288 -4.182 995 1HZ LYS 128 HZ1 LYS 128 5.268 14.301 -3.101 996 2HZ LYS 128 HZ2 LYS 128 5.765 15.101 -4.513 997 3HZ LYS 128 HZ3 LYS 128 6.390 15.572 -3.005 998 H GLU 129 HN GLU 129 10.532 9.187 -3.972 999 HA GLU 129 HA GLU 129 9.453 7.962 -1.589 1000 1HB GLU 129 HB2 GLU 129 12.163 9.182 -2.145 1001 2HB GLU 129 HB1 GLU 129 11.725 8.373 -0.650 1002 1HG GLU 129 HG2 GLU 129 11.309 6.305 -1.962 1003 2HG GLU 129 HG1 GLU 129 11.927 7.146 -3.387 1004 H VAL 130 HN VAL 130 8.551 9.028 0.054 1005 HA VAL 130 HA VAL 130 8.716 11.931 0.154 1006 HB VAL 130 HB VAL 130 7.244 10.058 2.021 1007 1HG1 VAL 130 HG11 VAL 130 7.655 12.242 2.997 1008 2HG1 VAL 130 HG12 VAL 130 5.945 12.060 2.608 1009 3HG1 VAL 130 HG13 VAL 130 6.988 13.028 1.568 1010 1HG2 VAL 130 HG21 VAL 130 5.230 10.648 0.746 1011 2HG2 VAL 130 HG22 VAL 130 6.413 9.797 -0.247 1012 3HG2 VAL 130 HG23 VAL 130 6.227 11.544 -0.399 1013 H LYS 131 HN LYS 131 9.471 9.117 2.102 1014 HA LYS 131 HA LYS 131 11.017 8.652 3.675 1015 1HB LYS 131 HB2 LYS 131 12.427 9.725 1.755 1016 2HB LYS 131 HB1 LYS 131 12.616 11.057 2.888 1017 1HG LYS 131 HG2 LYS 131 13.584 9.542 4.530 1018 2HG LYS 131 HG1 LYS 131 13.371 8.190 3.415 1019 1HD LYS 131 HD2 LYS 131 14.812 9.468 1.785 1020 2HD LYS 131 HD1 LYS 131 15.173 10.583 3.103 1021 1HE LYS 131 HE2 LYS 131 16.940 8.970 2.977 1022 2HE LYS 131 HE1 LYS 131 15.997 8.644 4.431 1023 1HZ LYS 131 HZ1 LYS 131 14.873 6.861 3.280 1024 2HZ LYS 131 HZ2 LYS 131 16.545 6.614 3.209 1025 3HZ LYS 131 HZ3 LYS 131 15.718 7.201 1.848 1026 H LEU 132 HN LEU 132 10.174 8.922 5.635 1027 HA LEU 132 HA LEU 132 9.542 11.542 6.637 1028 1HB LEU 132 HB2 LEU 132 8.845 10.204 8.697 1029 2HB LEU 132 HB1 LEU 132 7.942 9.964 7.216 1030 HG LEU 132 HG LEU 132 9.393 7.898 6.836 1031 1HD1 LEU 132 HD11 LEU 132 10.011 8.349 9.751 1032 2HD1 LEU 132 HD12 LEU 132 11.167 8.395 8.418 1033 3HD1 LEU 132 HD13 LEU 132 10.365 6.881 8.838 1034 1HD2 LEU 132 HD21 LEU 132 7.061 7.784 7.505 1035 2HD2 LEU 132 HD22 LEU 132 7.523 7.975 9.197 1036 3HD2 LEU 132 HD23 LEU 132 8.003 6.528 8.309 1037 H GLU 133 HN GLU 133 12.394 9.942 6.477 1038 HA GLU 133 HA GLU 133 13.313 10.420 9.164 1039 1HB GLU 133 HB2 GLU 133 14.111 8.632 7.330 1040 2HB GLU 133 HB1 GLU 133 15.280 9.902 7.001 1041 1HG GLU 133 HG2 GLU 133 14.813 8.580 9.667 1042 2HG GLU 133 HG1 GLU 133 16.153 8.257 8.573 1043 H HIS 134 HN HIS 134 12.485 12.718 8.696 1044 HA HIS 134 HA HIS 134 14.957 14.254 8.651 1045 1HB HIS 134 HB2 HIS 134 13.771 14.513 6.391 1046 2HB HIS 134 HB1 HIS 134 12.497 15.349 7.274 1047 HD1 HIS 134 HD1 HIS 134 12.766 17.793 6.972 1048 HD2 HIS 134 HD2 HIS 134 16.432 15.861 7.299 1049 HE1 HIS 134 HE1 HIS 134 14.500 19.609 6.895 1050 HE2 HIS 134 HE2 HIS 134 16.707 18.397 6.885 1051 H HIS 135 HN HIS 135 12.664 13.096 10.328 1052 HA HIS 135 HA HIS 135 12.337 15.457 12.045 1053 1HB HIS 135 HB2 HIS 135 10.199 13.332 11.730 1054 2HB HIS 135 HB1 HIS 135 10.075 14.860 12.592 1055 HD1 HIS 135 HD1 HIS 135 9.573 16.982 11.182 1056 HD2 HIS 135 HD2 HIS 135 9.833 13.473 8.963 1057 HE1 HIS 135 HE1 HIS 135 8.645 17.539 8.915 1058 HE2 HIS 135 HE2 HIS 135 9.055 15.477 7.529 1059 H HIS 136 HN HIS 136 14.050 14.738 13.327 1060 HA HIS 136 HA HIS 136 14.471 12.065 14.047 1061 1HB HIS 136 HB2 HIS 136 15.520 14.675 14.991 1062 2HB HIS 136 HB1 HIS 136 15.745 13.284 16.050 1063 HD1 HIS 136 HD1 HIS 136 17.807 12.000 15.623 1064 HD2 HIS 136 HD2 HIS 136 16.510 14.017 12.225 1065 HE1 HIS 136 HE1 HIS 136 19.535 11.536 13.856 1066 HE2 HIS 136 HE2 HIS 136 18.595 12.553 11.754 1067 H HIS 137 HN HIS 137 13.571 10.779 15.391 1068 HA HIS 137 HA HIS 137 11.302 11.445 16.917 1069 1HB HIS 137 HB2 HIS 137 11.658 9.207 16.013 1070 2HB HIS 137 HB1 HIS 137 13.098 9.009 17.004 1071 HD1 HIS 137 HD1 HIS 137 12.755 7.796 19.115 1072 HD2 HIS 137 HD2 HIS 137 9.228 9.505 17.721 1073 HE1 HIS 137 HE1 HIS 137 10.954 7.030 20.697 1074 HE2 HIS 137 HE2 HIS 137 8.804 7.893 19.704 1075 H HIS 138 HN HIS 138 11.162 12.377 18.812 1076 HA HIS 138 HA HIS 138 11.664 13.295 20.814 1077 1HB HIS 138 HB2 HIS 138 11.923 10.991 21.590 1078 2HB HIS 138 HB1 HIS 138 13.597 10.975 21.045 1079 HD1 HIS 138 HD1 HIS 138 11.389 12.241 23.783 1080 HD2 HIS 138 HD2 HIS 138 15.410 12.333 22.716 1081 HE1 HIS 138 HE1 HIS 138 12.611 13.112 25.803 1082 HE2 HIS 138 HE2 HIS 138 15.007 13.362 25.056 1083 H HIS 139 HN HIS 139 12.492 15.220 20.094 1084 HA HIS 139 HA HIS 139 15.384 15.453 20.482 1085 1HB HIS 139 HB2 HIS 139 14.862 15.423 18.013 1086 2HB HIS 139 HB1 HIS 139 13.932 16.899 18.256 1087 HD1 HIS 139 HD1 HIS 139 17.467 15.589 18.442 1088 HD2 HIS 139 HD2 HIS 139 15.429 19.219 18.352 1089 HE1 HIS 139 HE1 HIS 139 19.236 17.357 18.150 1090 HE2 HIS 139 HE2 HIS 139 17.998 19.551 18.250
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