NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
609766 | 2nbs | 25994 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 1.516 0.529 -1.986 3 HB2 MET 1 2HB MET 1 3.352 1.367 -0.186 4 HB3 MET 1 3HB MET 1 4.197 -0.020 -0.860 5 HG2 MET 1 2HG MET 1 3.116 2.328 -2.400 6 HG3 MET 1 3HG MET 1 4.807 2.009 -2.024 7 HE1 MET 1 3HE MET 1 3.328 2.729 -4.524 8 HE2 MET 1 1HE MET 1 4.059 1.771 -5.812 9 HE3 MET 1 2HE MET 1 2.406 1.437 -5.294 10 H ALA 2 H ALA 2 0.831 -1.265 -3.039 11 HA ALA 2 HA ALA 2 2.559 -3.643 -2.851 12 HB1 ALA 2 1HB ALA 2 0.743 -4.610 -1.921 13 HB2 ALA 2 2HB ALA 2 -0.375 -3.437 -2.620 14 HB3 ALA 2 3HB ALA 2 0.239 -4.765 -3.605 15 H ARG 3 H ARG 3 0.100 -2.044 -4.877 16 HA ARG 3 HA ARG 3 0.942 -3.349 -7.267 17 HB2 ARG 3 2HB ARG 3 -0.997 -1.221 -6.549 18 HB3 ARG 3 3HB ARG 3 -0.425 -1.239 -8.211 19 HG2 ARG 3 2HG ARG 3 -1.394 -3.279 -8.666 20 HG3 ARG 3 3HG ARG 3 -1.430 -3.757 -6.968 21 HD2 ARG 3 2HD ARG 3 -3.062 -1.456 -7.991 22 HD3 ARG 3 3HD ARG 3 -3.646 -3.117 -8.093 23 HE ARG 3 HE ARG 3 -3.525 -1.477 -5.756 24 HH11 ARG 3 1HH1 ARG 3 -3.380 -4.761 -6.904 25 HH12 ARG 3 2HH1 ARG 3 -3.922 -5.446 -5.408 26 HH21 ARG 3 2HH2 ARG 3 -4.411 -4.083 -3.632 27 HH22 ARG 3 1HH2 ARG 3 -4.239 -2.367 -3.781 28 HA PRO 4 HA PRO 4 4.219 -0.807 -8.696 29 HB2 PRO 4 2HB PRO 4 3.707 -0.627 -11.356 30 HB3 PRO 4 3HB PRO 4 4.281 -2.111 -10.587 31 HG2 PRO 4 2HG PRO 4 1.497 -1.339 -11.370 32 HG3 PRO 4 3HG PRO 4 2.325 -2.895 -11.569 33 HD2 PRO 4 2HD PRO 4 0.558 -2.429 -9.571 34 HD3 PRO 4 3HD PRO 4 1.948 -3.517 -9.382 35 H SER 5 H SER 5 4.800 1.274 -9.493 36 HA SER 5 HA SER 5 2.733 3.139 -10.263 37 HB2 SER 5 2HB SER 5 3.405 2.889 -7.520 38 HB3 SER 5 3HB SER 5 4.110 4.403 -8.087 39 HG SER 5 HG SER 5 1.907 4.711 -9.066 40 H ASN 6 H ASN 6 5.970 3.322 -8.772 41 HA ASN 6 HA ASN 6 6.936 4.613 -11.233 42 HB2 ASN 6 2HB ASN 6 6.530 5.997 -8.922 43 HB3 ASN 6 3HB ASN 6 8.207 5.497 -8.722 44 HD21 ASN 6 2HD2 ASN 6 7.542 8.713 -10.778 45 HD22 ASN 6 1HD2 ASN 6 6.596 8.053 -9.491 46 H VAL 7 H VAL 7 8.505 3.446 -12.104 47 HA VAL 7 HA VAL 7 10.565 2.286 -10.389 48 HB VAL 7 HB VAL 7 9.182 0.636 -12.506 49 HG11 VAL 7 1HG1 VAL 7 10.971 -0.670 -12.365 50 HG12 VAL 7 2HG1 VAL 7 11.682 0.387 -11.144 51 HG13 VAL 7 3HG1 VAL 7 10.619 -0.935 -10.657 52 HG21 VAL 7 3HG2 VAL 7 7.706 1.044 -10.580 53 HG22 VAL 7 1HG2 VAL 7 8.201 -0.645 -10.692 54 HG23 VAL 7 2HG2 VAL 7 8.956 0.418 -9.504 55 H LYS 8 H LYS 8 9.452 2.619 -13.756 56 HA LYS 8 HA LYS 8 11.893 2.332 -15.035 57 HB2 LYS 8 2HB LYS 8 9.279 3.487 -15.689 58 HB3 LYS 8 3HB LYS 8 10.612 4.225 -16.568 59 HG2 LYS 8 2HG LYS 8 11.321 1.918 -17.243 60 HG3 LYS 8 3HG LYS 8 9.813 1.326 -16.542 61 HD2 LYS 8 2HD LYS 8 9.581 3.584 -18.433 62 HD3 LYS 8 3HD LYS 8 10.073 2.036 -19.123 63 HE2 LYS 8 2HE LYS 8 7.741 2.168 -17.257 64 HE3 LYS 8 3HE LYS 8 7.544 2.641 -18.944 65 HZ1 LYS 8 3HZ LYS 8 6.996 0.351 -18.749 66 HZ2 LYS 8 1HZ LYS 8 8.427 0.002 -17.917 67 HZ3 LYS 8 2HZ LYS 8 8.484 0.438 -19.550 68 HA PRO 9 HA PRO 9 14.293 5.915 -14.234 69 HB2 PRO 9 2HB PRO 9 15.388 6.446 -16.661 70 HB3 PRO 9 3HB PRO 9 15.873 5.066 -15.670 71 HG2 PRO 9 2HG PRO 9 13.996 5.157 -18.000 72 HG3 PRO 9 3HG PRO 9 15.252 3.964 -17.622 73 HD2 PRO 9 2HD PRO 9 12.628 3.526 -17.118 74 HD3 PRO 9 3HD PRO 9 13.920 2.858 -16.100 75 H SER 10 H SER 10 13.553 7.895 -13.834 76 HA SER 10 HA SER 10 12.981 9.804 -15.792 77 HB2 SER 10 2HB SER 10 10.412 9.892 -14.885 78 HB3 SER 10 3HB SER 10 10.902 9.131 -16.399 79 HG SER 10 HG SER 10 10.034 7.991 -14.046 80 HA PRO 11 HA PRO 11 13.378 12.494 -12.351 81 HB2 PRO 11 2HB PRO 11 11.845 14.612 -13.080 82 HB3 PRO 11 3HB PRO 11 13.398 14.243 -13.840 83 HG2 PRO 11 2HG PRO 11 10.628 13.631 -14.797 84 HG3 PRO 11 3HG PRO 11 12.020 14.240 -15.713 85 HD2 PRO 11 2HD PRO 11 11.270 11.639 -15.760 86 HD3 PRO 11 3HD PRO 11 12.964 12.147 -15.912 87 H HIS 12 H HIS 12 12.533 12.294 -10.383 88 HA HIS 12 HA HIS 12 9.766 12.889 -9.869 89 HB2 HIS 12 2HB HIS 12 9.523 10.566 -10.527 90 HB3 HIS 12 3HB HIS 12 10.811 10.085 -9.426 91 HD1 HIS 12 HD1 HIS 12 8.123 12.480 -8.370 92 HD2 HIS 12 HD2 HIS 12 9.153 8.486 -7.869 93 HE1 HIS 12 HE1 HIS 12 6.616 11.621 -6.550 94 H VAL 13 H VAL 13 10.287 14.392 -8.372 95 HA VAL 13 HA VAL 13 11.915 13.507 -6.078 96 HB VAL 13 HB VAL 13 11.524 16.354 -7.006 97 HG11 VAL 13 1HG1 VAL 13 13.845 15.934 -5.408 98 HG12 VAL 13 2HG1 VAL 13 12.437 16.943 -5.071 99 HG13 VAL 13 3HG1 VAL 13 12.451 15.251 -4.573 100 HG21 VAL 13 3HG2 VAL 13 13.763 14.407 -7.513 101 HG22 VAL 13 1HG2 VAL 13 12.800 15.293 -8.696 102 HG23 VAL 13 2HG2 VAL 13 13.953 16.153 -7.675 103 H ILE 14 H ILE 14 11.041 13.602 -4.093 104 HA ILE 14 HA ILE 14 8.246 14.093 -3.815 105 HB ILE 14 HB ILE 14 8.426 13.316 -1.633 106 HG12 ILE 14 2HG1 ILE 14 9.997 14.935 -0.761 107 HG13 ILE 14 3HG1 ILE 14 10.566 13.321 -0.350 108 HG21 ILE 14 1HG2 ILE 14 9.184 11.678 -3.372 109 HG22 ILE 14 2HG2 ILE 14 10.843 12.063 -2.917 110 HG23 ILE 14 3HG2 ILE 14 9.750 11.340 -1.737 111 HD11 ILE 14 3HD1 ILE 14 11.598 15.081 -2.560 112 HD12 ILE 14 1HD1 ILE 14 12.413 14.690 -1.046 113 HD13 ILE 14 2HD1 ILE 14 12.132 13.429 -2.247 114 H LYS 15 H LYS 15 7.595 15.410 -1.719 115 HA LYS 15 HA LYS 15 9.078 17.790 -1.197 116 HB2 LYS 15 2HB LYS 15 7.999 18.136 -3.515 117 HB3 LYS 15 3HB LYS 15 6.479 18.254 -2.639 118 HG2 LYS 15 2HG LYS 15 6.978 20.282 -1.765 119 HG3 LYS 15 3HG LYS 15 8.708 19.943 -1.679 120 HD2 LYS 15 2HD LYS 15 8.309 21.655 -3.333 121 HD3 LYS 15 3HD LYS 15 8.835 20.176 -4.140 122 HE2 LYS 15 2HE LYS 15 6.005 20.105 -3.927 123 HE3 LYS 15 3HE LYS 15 6.461 21.687 -4.556 124 HZ1 LYS 15 3HZ LYS 15 6.882 20.781 -6.516 125 HZ2 LYS 15 1HZ LYS 15 6.335 19.287 -5.941 126 HZ3 LYS 15 2HZ LYS 15 7.976 19.683 -5.836 127 H SER 16 H SER 16 8.080 15.852 0.472 128 HA SER 16 HA SER 16 6.675 17.357 2.379 129 HB2 SER 16 2HB SER 16 5.013 15.979 0.433 130 HB3 SER 16 3HB SER 16 4.692 15.416 2.073 131 HG SER 16 HG SER 16 4.268 17.530 2.684 132 H LEU 17 H LEU 17 6.091 16.066 4.300 133 HA LEU 17 HA LEU 17 8.119 14.187 4.906 134 HB2 LEU 17 2HB LEU 17 6.563 15.784 6.390 135 HB3 LEU 17 3HB LEU 17 5.683 14.269 6.584 136 HG LEU 17 HG LEU 17 7.813 13.236 7.402 137 HD11 LEU 17 1HD1 LEU 17 9.132 15.231 6.313 138 HD12 LEU 17 2HD1 LEU 17 9.723 14.436 7.772 139 HD13 LEU 17 3HD1 LEU 17 8.869 15.975 7.891 140 HD21 LEU 17 3HD2 LEU 17 7.678 14.255 9.624 141 HD22 LEU 17 1HD2 LEU 17 6.076 13.971 8.943 142 HD23 LEU 17 2HD2 LEU 17 6.754 15.599 8.951 143 H GLU 18 H GLU 18 4.587 13.795 4.598 144 HA GLU 18 HA GLU 18 4.417 11.070 4.974 145 HB2 GLU 18 2HB GLU 18 2.743 13.139 3.889 146 HB3 GLU 18 3HB GLU 18 2.595 11.689 2.907 147 HG2 GLU 18 2HG GLU 18 2.441 11.415 5.860 148 HG3 GLU 18 3HG GLU 18 1.063 12.101 5.003 149 H GLU 19 H GLU 19 4.950 12.801 1.912 150 HA GLU 19 HA GLU 19 5.017 10.656 0.178 151 HB2 GLU 19 2HB GLU 19 5.352 13.275 -0.159 152 HB3 GLU 19 3HB GLU 19 7.045 12.805 -0.200 153 HG2 GLU 19 2HG GLU 19 6.399 12.791 -2.429 154 HG3 GLU 19 3HG GLU 19 6.343 11.093 -1.959 155 H LEU 20 H LEU 20 7.532 11.832 2.338 156 HA LEU 20 HA LEU 20 9.607 10.176 1.323 157 HB2 LEU 20 2HB LEU 20 9.517 12.286 3.014 158 HB3 LEU 20 3HB LEU 20 9.721 10.961 4.159 159 HG LEU 20 HG LEU 20 11.735 10.274 2.753 160 HD11 LEU 20 1HD1 LEU 20 11.021 11.762 0.828 161 HD12 LEU 20 2HD1 LEU 20 12.719 11.839 1.299 162 HD13 LEU 20 3HD1 LEU 20 11.609 13.118 1.792 163 HD21 LEU 20 3HD2 LEU 20 13.185 11.706 3.967 164 HD22 LEU 20 1HD2 LEU 20 11.767 11.444 4.981 165 HD23 LEU 20 2HD2 LEU 20 11.950 12.959 4.098 166 H ARG 21 H ARG 21 7.912 9.983 4.459 167 HA ARG 21 HA ARG 21 8.785 7.469 5.198 168 HB2 ARG 21 2HB ARG 21 7.362 9.220 6.490 169 HB3 ARG 21 3HB ARG 21 5.985 8.364 5.808 170 HG2 ARG 21 2HG ARG 21 7.053 6.255 6.794 171 HG3 ARG 21 3HG ARG 21 8.045 7.367 7.739 172 HD2 ARG 21 2HD ARG 21 6.172 6.795 9.082 173 HD3 ARG 21 3HD ARG 21 5.917 8.446 8.517 174 HE ARG 21 HE ARG 21 4.658 6.781 6.698 175 HH11 ARG 21 1HH1 ARG 21 4.406 7.549 10.085 176 HH12 ARG 21 2HH1 ARG 21 2.705 7.229 10.164 177 HH21 ARG 21 2HH2 ARG 21 1.576 6.550 8.290 178 HH22 ARG 21 1HH2 ARG 21 2.419 6.357 6.790 179 H GLU 22 H GLU 22 6.331 8.360 2.898 180 HA GLU 22 HA GLU 22 5.070 5.804 2.753 181 HB2 GLU 22 2HB GLU 22 3.932 7.867 2.051 182 HB3 GLU 22 3HB GLU 22 5.099 8.070 0.751 183 HG2 GLU 22 2HG GLU 22 4.321 6.050 -0.316 184 HG3 GLU 22 3HG GLU 22 3.218 5.736 1.022 185 H ALA 23 H ALA 23 7.474 7.474 0.737 186 HA ALA 23 HA ALA 23 7.802 5.454 -1.176 187 HB1 ALA 23 1HB ALA 23 9.003 7.100 -2.053 188 HB2 ALA 23 2HB ALA 23 9.068 7.939 -0.503 189 HB3 ALA 23 3HB ALA 23 10.284 6.725 -0.901 190 H THR 24 H THR 24 9.001 5.761 2.062 191 HA THR 24 HA THR 24 11.103 3.825 1.785 192 HB THR 24 HB THR 24 10.669 3.894 4.459 193 HG1 THR 24 HG1 THR 24 9.318 5.452 4.899 194 HG21 THR 24 3HG2 THR 24 12.781 4.413 3.407 195 HG22 THR 24 1HG2 THR 24 12.360 5.712 4.522 196 HG23 THR 24 2HG2 THR 24 12.139 5.933 2.786 197 H ALA 25 H ALA 25 7.713 3.739 2.445 198 HA ALA 25 HA ALA 25 7.710 1.145 3.682 199 HB1 ALA 25 1HB ALA 25 5.290 1.297 3.550 200 HB2 ALA 25 2HB ALA 25 5.968 2.803 4.168 201 HB3 ALA 25 3HB ALA 25 5.418 2.705 2.495 202 H SER 26 H SER 26 7.617 2.378 0.452 203 HA SER 26 HA SER 26 6.327 0.376 -0.945 204 HB2 SER 26 2HB SER 26 7.103 2.411 -2.034 205 HB3 SER 26 3HB SER 26 8.783 1.948 -1.763 206 HG SER 26 HG SER 26 8.502 1.178 -3.729 207 H ASN 27 H ASN 27 6.912 -1.585 -1.827 208 HA ASN 27 HA ASN 27 9.173 -2.898 -0.526 209 HB2 ASN 27 2HB ASN 27 8.128 -4.969 -1.068 210 HB3 ASN 27 3HB ASN 27 6.843 -3.897 -0.519 211 HD21 ASN 27 2HD2 ASN 27 5.265 -3.660 -3.658 212 HD22 ASN 27 1HD2 ASN 27 5.537 -2.856 -2.154 213 H ARG 28 H ARG 28 9.763 -1.032 -2.584 214 HA ARG 28 HA ARG 28 10.794 -2.825 -4.684 215 HB2 ARG 28 2HB ARG 28 10.215 0.129 -4.957 216 HB3 ARG 28 3HB ARG 28 10.712 -0.972 -6.236 217 HG2 ARG 28 2HG ARG 28 8.386 -2.064 -5.084 218 HG3 ARG 28 3HG ARG 28 8.087 -0.341 -5.323 219 HD2 ARG 28 2HD ARG 28 7.413 -1.442 -7.315 220 HD3 ARG 28 3HD ARG 28 8.935 -0.625 -7.670 221 HE ARG 28 HE ARG 28 9.735 -3.105 -6.976 222 HH11 ARG 28 1HH1 ARG 28 7.353 -1.923 -9.224 223 HH12 ARG 28 2HH1 ARG 28 7.526 -3.261 -10.311 224 HH21 ARG 28 2HH2 ARG 28 9.015 -4.937 -9.842 225 HH22 ARG 28 1HH2 ARG 28 9.971 -4.871 -8.400 226 H ILE 29 H ILE 29 12.613 -1.195 -5.879 227 HA ILE 29 HA ILE 29 14.635 -0.915 -3.772 228 HB ILE 29 HB ILE 29 15.115 -0.984 -6.748 229 HG12 ILE 29 2HG1 ILE 29 15.983 -3.399 -5.723 230 HG13 ILE 29 3HG1 ILE 29 14.462 -3.136 -4.877 231 HG21 ILE 29 1HG2 ILE 29 16.993 -0.068 -5.693 232 HG22 ILE 29 2HG2 ILE 29 16.871 -1.171 -4.323 233 HG23 ILE 29 3HG2 ILE 29 17.393 -1.774 -5.895 234 HD11 ILE 29 3HD1 ILE 29 14.920 -3.310 -7.838 235 HD12 ILE 29 1HD1 ILE 29 13.971 -4.388 -6.815 236 HD13 ILE 29 2HD1 ILE 29 13.410 -2.744 -7.123 237 H SER 30 H SER 30 14.487 1.120 -2.987 238 HA SER 30 HA SER 30 14.765 3.319 -4.929 239 HB2 SER 30 2HB SER 30 13.270 3.407 -2.296 240 HB3 SER 30 3HB SER 30 13.466 4.752 -3.421 241 HG SER 30 HG SER 30 12.482 2.982 -4.930 242 H VAL 31 H VAL 31 16.405 4.703 -4.605 243 HA VAL 31 HA VAL 31 18.033 4.324 -2.181 244 HB VAL 31 HB VAL 31 19.328 3.780 -4.099 245 HG11 VAL 31 1HG1 VAL 31 17.780 5.876 -5.336 246 HG12 VAL 31 2HG1 VAL 31 19.502 6.082 -5.663 247 HG13 VAL 31 3HG1 VAL 31 18.698 4.568 -6.082 248 HG21 VAL 31 3HG2 VAL 31 20.435 5.175 -2.385 249 HG22 VAL 31 1HG2 VAL 31 21.126 5.392 -3.993 250 HG23 VAL 31 2HG2 VAL 31 20.037 6.610 -3.329 251 H ILE 32 H ILE 32 17.180 5.807 -0.786 252 HA ILE 32 HA ILE 32 16.502 8.473 -1.588 253 HB ILE 32 HB ILE 32 16.924 7.498 1.234 254 HG12 ILE 32 2HG1 ILE 32 14.179 7.518 0.641 255 HG13 ILE 32 3HG1 ILE 32 14.943 6.697 -0.715 256 HG21 ILE 32 1HG2 ILE 32 15.164 9.242 1.683 257 HG22 ILE 32 2HG2 ILE 32 16.730 9.858 1.160 258 HG23 ILE 32 3HG2 ILE 32 15.388 9.782 0.019 259 HD11 ILE 32 3HD1 ILE 32 15.459 4.894 0.507 260 HD12 ILE 32 1HD1 ILE 32 15.873 5.846 1.933 261 HD13 ILE 32 2HD1 ILE 32 14.184 5.489 1.570 262 H VAL 33 H VAL 33 17.771 10.208 -1.691 263 HA VAL 33 HA VAL 33 20.402 10.100 -0.367 264 HB VAL 33 HB VAL 33 19.846 11.530 -2.964 265 HG11 VAL 33 1HG1 VAL 33 22.340 11.490 -3.109 266 HG12 VAL 33 2HG1 VAL 33 21.703 12.470 -1.788 267 HG13 VAL 33 3HG1 VAL 33 22.371 10.872 -1.458 268 HG21 VAL 33 3HG2 VAL 33 20.752 8.732 -2.432 269 HG22 VAL 33 1HG2 VAL 33 19.612 9.332 -3.636 270 HG23 VAL 33 2HG2 VAL 33 21.343 9.594 -3.852 271 H PHE 34 H PHE 34 20.823 11.710 0.996 272 HA PHE 34 HA PHE 34 18.920 13.900 1.211 273 HB2 PHE 34 2HB PHE 34 19.413 12.933 3.306 274 HB3 PHE 34 3HB PHE 34 21.140 12.883 2.971 275 HD1 PHE 34 HD1 PHE 34 18.860 15.754 2.465 276 HD2 PHE 34 HD2 PHE 34 21.997 14.070 4.798 277 HE1 PHE 34 HE1 PHE 34 19.142 17.903 3.630 278 HE2 PHE 34 HE2 PHE 34 22.284 16.216 5.967 279 HZ PHE 34 HZ PHE 34 20.855 18.136 5.384 280 H THR 35 H THR 35 19.261 15.838 0.367 281 HA THR 35 HA THR 35 21.789 17.136 0.376 282 HB THR 35 HB THR 35 21.420 17.295 -2.352 283 HG1 THR 35 HG1 THR 35 19.995 15.375 -2.017 284 HG21 THR 35 3HG2 THR 35 23.614 17.129 -1.849 285 HG22 THR 35 1HG2 THR 35 23.363 15.412 -2.158 286 HG23 THR 35 2HG2 THR 35 23.327 16.025 -0.504 287 H HIS 36 H HIS 36 21.581 19.314 0.079 288 HA HIS 36 HA HIS 36 18.996 20.314 -0.901 289 HB2 HIS 36 2HB HIS 36 19.226 22.118 0.907 290 HB3 HIS 36 3HB HIS 36 18.729 20.512 1.432 291 HD1 HIS 36 HD1 HIS 36 19.779 20.058 3.615 292 HD2 HIS 36 HD2 HIS 36 22.371 22.046 1.048 293 HE1 HIS 36 HE1 HIS 36 21.947 20.260 4.873 294 HA PRO 37 HA PRO 37 21.294 23.174 -3.307 295 HB2 PRO 37 2HB PRO 37 19.657 25.340 -3.297 296 HB3 PRO 37 3HB PRO 37 19.291 23.864 -4.198 297 HG2 PRO 37 2HG PRO 37 18.264 24.760 -1.533 298 HG3 PRO 37 3HG PRO 37 17.382 24.018 -2.880 299 HD2 PRO 37 2HD PRO 37 18.175 22.610 -0.708 300 HD3 PRO 37 3HD PRO 37 18.075 21.890 -2.327 301 H ASP 38 H ASP 38 22.905 23.243 -1.466 302 HA ASP 38 HA ASP 38 23.283 26.014 -0.691 303 HB2 ASP 38 2HB ASP 38 21.985 24.744 1.156 304 HB3 ASP 38 3HB ASP 38 23.519 23.935 1.469 305 H SER 39 H SER 39 24.742 24.885 -2.566 306 HA SER 39 HA SER 39 27.377 25.063 -1.658 307 HB2 SER 39 2HB SER 39 26.386 22.632 -0.925 308 HB3 SER 39 3HB SER 39 27.075 22.252 -2.503 309 HG SER 39 HG SER 39 29.025 23.315 -1.703 310 H LYS 40 H LYS 40 27.951 26.184 -3.418 311 HA LYS 40 HA LYS 40 27.106 25.417 -6.064 312 HB2 LYS 40 2HB LYS 40 28.641 27.670 -4.870 313 HB3 LYS 40 3HB LYS 40 28.905 27.322 -6.573 314 HG2 LYS 40 2HG LYS 40 27.122 28.557 -7.015 315 HG3 LYS 40 3HG LYS 40 26.139 27.299 -6.263 316 HD2 LYS 40 2HD LYS 40 26.438 28.416 -4.080 317 HD3 LYS 40 3HD LYS 40 27.343 29.700 -4.885 318 HE2 LYS 40 2HE LYS 40 25.136 29.725 -6.393 319 HE3 LYS 40 3HE LYS 40 24.438 29.122 -4.891 320 HZ1 LYS 40 3HZ LYS 40 24.259 31.346 -4.545 321 HZ2 LYS 40 1HZ LYS 40 25.619 31.733 -5.476 322 HZ3 LYS 40 2HZ LYS 40 25.811 31.119 -3.911 323 H ARG 41 H ARG 41 30.244 25.665 -4.394 324 HA ARG 41 HA ARG 41 31.757 24.544 -6.497 325 HB2 ARG 41 2HB ARG 41 32.222 25.480 -3.811 326 HB3 ARG 41 3HB ARG 41 33.076 23.966 -4.078 327 HG2 ARG 41 2HG ARG 41 33.919 25.072 -6.244 328 HG3 ARG 41 3HG ARG 41 33.395 26.581 -5.493 329 HD2 ARG 41 2HD ARG 41 35.747 26.191 -5.046 330 HD3 ARG 41 3HD ARG 41 34.816 26.092 -3.552 331 HE ARG 41 HE ARG 41 35.255 23.554 -4.841 332 HH11 ARG 41 1HH1 ARG 41 36.504 25.897 -2.589 333 HH12 ARG 41 2HH1 ARG 41 37.487 24.750 -1.740 334 HH21 ARG 41 2HH2 ARG 41 37.510 22.553 -2.392 335 HH22 ARG 41 1HH2 ARG 41 36.545 22.035 -3.732 336 H SER 42 H SER 42 29.996 23.145 -3.816 337 HA SER 42 HA SER 42 31.075 20.494 -4.293 338 HB2 SER 42 2HB SER 42 28.753 21.109 -2.481 339 HB3 SER 42 3HB SER 42 29.948 19.820 -2.345 340 HG SER 42 HG SER 42 31.495 21.388 -1.810 341 H LYS 43 H LYS 43 28.906 18.870 -3.894 342 HA LYS 43 HA LYS 43 27.187 17.828 -4.959 343 HB2 LYS 43 2HB LYS 43 26.497 20.578 -4.954 344 HB3 LYS 43 3HB LYS 43 26.089 19.947 -6.544 345 HG2 LYS 43 2HG LYS 43 25.084 17.998 -4.966 346 HG3 LYS 43 3HG LYS 43 24.875 19.409 -3.925 347 HD2 LYS 43 2HD LYS 43 24.082 20.177 -6.523 348 HD3 LYS 43 3HD LYS 43 23.343 18.606 -6.204 349 HE2 LYS 43 2HE LYS 43 22.630 19.593 -3.960 350 HE3 LYS 43 3HE LYS 43 23.066 21.159 -4.642 351 HZ1 LYS 43 3HZ LYS 43 21.243 19.375 -6.112 352 HZ2 LYS 43 1HZ LYS 43 21.374 21.060 -6.179 353 HZ3 LYS 43 2HZ LYS 43 20.650 20.320 -4.841 354 H GLU 44 H GLU 44 29.859 18.638 -6.311 355 HA GLU 44 HA GLU 44 29.251 18.626 -9.113 356 HB2 GLU 44 2HB GLU 44 31.812 18.330 -7.553 357 HB3 GLU 44 3HB GLU 44 31.762 18.213 -9.306 358 HG2 GLU 44 2HG GLU 44 30.791 20.597 -7.753 359 HG3 GLU 44 3HG GLU 44 32.412 20.448 -8.431 360 H ILE 45 H ILE 45 30.191 16.235 -6.714 361 HA ILE 45 HA ILE 45 30.709 14.118 -8.522 362 HB ILE 45 HB ILE 45 30.450 12.633 -6.560 363 HG12 ILE 45 2HG1 ILE 45 30.236 14.057 -4.337 364 HG13 ILE 45 3HG1 ILE 45 29.333 15.144 -5.387 365 HG21 ILE 45 1HG2 ILE 45 32.053 14.697 -5.312 366 HG22 ILE 45 2HG2 ILE 45 32.539 13.141 -5.982 367 HG23 ILE 45 3HG2 ILE 45 32.394 14.547 -7.036 368 HD11 ILE 45 3HD1 ILE 45 28.414 12.846 -4.070 369 HD12 ILE 45 1HD1 ILE 45 27.537 13.874 -5.203 370 HD13 ILE 45 2HD1 ILE 45 28.427 12.469 -5.793 371 H LYS 46 H LYS 46 27.836 15.635 -7.623 372 HA LYS 46 HA LYS 46 25.930 13.674 -7.448 373 HB2 LYS 46 2HB LYS 46 25.815 16.348 -8.843 374 HB3 LYS 46 3HB LYS 46 24.401 15.325 -8.623 375 HG2 LYS 46 2HG LYS 46 26.111 16.297 -6.349 376 HG3 LYS 46 3HG LYS 46 24.681 17.150 -6.934 377 HD2 LYS 46 2HD LYS 46 23.237 15.531 -6.166 378 HD3 LYS 46 3HD LYS 46 24.458 14.259 -6.234 379 HE2 LYS 46 2HE LYS 46 25.429 16.113 -4.387 380 HE3 LYS 46 3HE LYS 46 23.706 15.976 -4.039 381 HZ1 LYS 46 3HZ LYS 46 23.917 13.847 -3.368 382 HZ2 LYS 46 1HZ LYS 46 25.512 14.317 -3.052 383 HZ3 LYS 46 2HZ LYS 46 25.142 13.483 -4.476 384 H GLU 47 H GLU 47 27.345 15.023 -10.411 385 HA GLU 47 HA GLU 47 25.830 13.755 -12.321 386 HB2 GLU 47 2HB GLU 47 27.900 15.377 -12.498 387 HB3 GLU 47 3HB GLU 47 28.793 13.876 -12.699 388 HG2 GLU 47 2HG GLU 47 28.063 13.581 -14.784 389 HG3 GLU 47 3HG GLU 47 26.413 14.048 -14.375 390 H LYS 48 H LYS 48 28.432 12.432 -10.366 391 HA LYS 48 HA LYS 48 28.940 10.061 -11.702 392 HB2 LYS 48 2HB LYS 48 28.831 10.416 -8.702 393 HB3 LYS 48 3HB LYS 48 29.726 9.182 -9.578 394 HG2 LYS 48 2HG LYS 48 30.527 11.717 -10.570 395 HG3 LYS 48 3HG LYS 48 30.573 11.770 -8.806 396 HD2 LYS 48 2HD LYS 48 32.686 10.976 -9.355 397 HD3 LYS 48 3HD LYS 48 31.790 9.495 -9.007 398 HE2 LYS 48 2HE LYS 48 31.306 9.408 -11.512 399 HE3 LYS 48 3HE LYS 48 32.558 10.638 -11.679 400 HZ1 LYS 48 3HZ LYS 48 33.108 8.087 -11.827 401 HZ2 LYS 48 1HZ LYS 48 33.202 8.233 -10.144 402 HZ3 LYS 48 2HZ LYS 48 34.195 9.181 -11.132 403 H LEU 49 H LEU 49 26.507 10.669 -9.176 404 HA LEU 49 HA LEU 49 25.407 8.051 -9.283 405 HB2 LEU 49 2HB LEU 49 25.235 9.673 -7.370 406 HB3 LEU 49 3HB LEU 49 24.043 10.557 -8.320 407 HG LEU 49 HG LEU 49 22.642 8.476 -8.330 408 HD11 LEU 49 1HD1 LEU 49 24.165 6.748 -7.893 409 HD12 LEU 49 2HD1 LEU 49 23.202 6.886 -6.422 410 HD13 LEU 49 3HD1 LEU 49 24.826 7.570 -6.479 411 HD21 LEU 49 3HD2 LEU 49 23.309 10.072 -5.910 412 HD22 LEU 49 1HD2 LEU 49 22.221 8.695 -5.736 413 HD23 LEU 49 2HD2 LEU 49 21.815 10.005 -6.846 414 H LYS 50 H LYS 50 24.721 11.063 -10.939 415 HA LYS 50 HA LYS 50 22.216 10.371 -12.023 416 HB2 LYS 50 2HB LYS 50 23.135 12.673 -11.978 417 HB3 LYS 50 3HB LYS 50 24.317 12.205 -13.193 418 HG2 LYS 50 2HG LYS 50 21.488 11.700 -13.862 419 HG3 LYS 50 3HG LYS 50 21.990 13.390 -13.774 420 HD2 LYS 50 2HD LYS 50 23.598 13.112 -15.465 421 HD3 LYS 50 3HD LYS 50 23.551 11.352 -15.336 422 HE2 LYS 50 2HE LYS 50 22.399 12.209 -17.350 423 HE3 LYS 50 3HE LYS 50 21.335 11.296 -16.281 424 HZ1 LYS 50 3HZ LYS 50 20.786 13.733 -17.275 425 HZ2 LYS 50 1HZ LYS 50 21.403 14.131 -15.751 426 HZ3 LYS 50 2HZ LYS 50 20.080 13.085 -15.881 427 H LYS 51 H LYS 51 25.515 9.853 -13.162 428 HA LYS 51 HA LYS 51 24.777 8.810 -15.704 429 HB2 LYS 51 2HB LYS 51 27.295 8.780 -14.069 430 HB3 LYS 51 3HB LYS 51 27.181 7.828 -15.543 431 HG2 LYS 51 2HG LYS 51 26.578 9.927 -16.757 432 HG3 LYS 51 3HG LYS 51 26.935 10.814 -15.273 433 HD2 LYS 51 2HD LYS 51 29.222 9.750 -15.328 434 HD3 LYS 51 3HD LYS 51 28.826 9.173 -16.949 435 HE2 LYS 51 2HE LYS 51 28.606 11.400 -17.768 436 HE3 LYS 51 3HE LYS 51 28.698 12.072 -16.141 437 HZ1 LYS 51 3HZ LYS 51 30.942 10.479 -17.174 438 HZ2 LYS 51 1HZ LYS 51 30.948 11.720 -16.024 439 HZ3 LYS 51 2HZ LYS 51 30.775 12.089 -17.666 440 H LEU 52 H LEU 52 25.336 7.396 -12.538 441 HA LEU 52 HA LEU 52 25.551 4.715 -13.188 442 HB2 LEU 52 2HB LEU 52 25.875 5.545 -10.938 443 HB3 LEU 52 3HB LEU 52 24.173 5.987 -10.828 444 HG LEU 52 HG LEU 52 24.834 3.133 -11.331 445 HD11 LEU 52 1HD1 LEU 52 25.251 4.542 -8.705 446 HD12 LEU 52 2HD1 LEU 52 26.411 3.569 -9.608 447 HD13 LEU 52 3HD1 LEU 52 25.015 2.801 -8.853 448 HD21 LEU 52 3HD2 LEU 52 22.536 3.653 -11.272 449 HD22 LEU 52 1HD2 LEU 52 22.722 4.671 -9.844 450 HD23 LEU 52 2HD2 LEU 52 22.897 2.921 -9.707 451 H ALA 53 H ALA 53 22.748 6.782 -13.193 452 HA ALA 53 HA ALA 53 20.711 4.871 -13.136 453 HB1 ALA 53 1HB ALA 53 19.292 6.571 -13.655 454 HB2 ALA 53 2HB ALA 53 20.697 7.523 -13.173 455 HB3 ALA 53 3HB ALA 53 20.366 7.243 -14.883 456 H GLU 54 H GLU 54 23.029 5.566 -15.560 457 HA GLU 54 HA GLU 54 21.485 4.519 -17.760 458 HB2 GLU 54 2HB GLU 54 23.171 6.248 -18.154 459 HB3 GLU 54 3HB GLU 54 24.428 5.180 -17.545 460 HG2 GLU 54 2HG GLU 54 22.919 3.945 -19.679 461 HG3 GLU 54 3HG GLU 54 23.629 5.479 -20.177 462 H GLU 55 H GLU 55 24.206 3.412 -15.770 463 HA GLU 55 HA GLU 55 24.658 0.972 -17.052 464 HB2 GLU 55 2HB GLU 55 26.107 0.521 -15.350 465 HB3 GLU 55 3HB GLU 55 25.900 2.243 -15.066 466 HG2 GLU 55 2HG GLU 55 24.038 1.594 -13.461 467 HG3 GLU 55 3HG GLU 55 24.661 -0.050 -13.586 468 H PHE 56 H PHE 56 22.219 1.938 -14.760 469 HA PHE 56 HA PHE 56 20.685 -0.422 -15.285 470 HB2 PHE 56 2HB PHE 56 22.406 -1.053 -13.460 471 HB3 PHE 56 3HB PHE 56 21.435 -0.039 -12.397 472 HD1 PHE 56 HD1 PHE 56 20.518 -2.474 -15.069 473 HD2 PHE 56 HD2 PHE 56 20.250 -1.385 -10.963 474 HE1 PHE 56 HE1 PHE 56 18.992 -4.362 -14.671 475 HE2 PHE 56 HE2 PHE 56 18.724 -3.272 -10.559 476 HZ PHE 56 HZ PHE 56 18.093 -4.764 -12.414 477 HA PRO 57 HA PRO 57 18.283 3.396 -14.288 478 HB2 PRO 57 2HB PRO 57 16.559 3.117 -16.367 479 HB3 PRO 57 3HB PRO 57 18.126 3.921 -16.519 480 HG2 PRO 57 2HG PRO 57 17.353 1.125 -17.258 481 HG3 PRO 57 3HG PRO 57 18.350 2.284 -18.155 482 HD2 PRO 57 2HD PRO 57 19.417 0.274 -16.689 483 HD3 PRO 57 3HD PRO 57 20.226 1.841 -16.891 484 H ASP 58 H ASP 58 17.713 0.063 -14.423 485 HA ASP 58 HA ASP 58 14.958 -0.154 -14.080 486 HB2 ASP 58 2HB ASP 58 15.810 -2.245 -14.306 487 HB3 ASP 58 3HB ASP 58 17.311 -1.834 -13.480 488 H VAL 59 H VAL 59 17.398 0.980 -11.914 489 HA VAL 59 HA VAL 59 15.609 0.819 -9.607 490 HB VAL 59 HB VAL 59 18.450 1.839 -9.720 491 HG11 VAL 59 1HG1 VAL 59 18.383 1.498 -7.277 492 HG12 VAL 59 2HG1 VAL 59 17.222 2.709 -7.824 493 HG13 VAL 59 3HG1 VAL 59 16.673 1.087 -7.402 494 HG21 VAL 59 3HG2 VAL 59 18.351 -0.511 -10.360 495 HG22 VAL 59 1HG2 VAL 59 19.080 -0.327 -8.764 496 HG23 VAL 59 2HG2 VAL 59 17.411 -0.877 -8.913 497 H ASP 60 H ASP 60 14.936 2.626 -8.441 498 HA ASP 60 HA ASP 60 14.838 5.091 -10.011 499 HB2 ASP 60 2HB ASP 60 13.014 5.750 -8.513 500 HB3 ASP 60 3HB ASP 60 12.706 4.165 -9.217 501 H ILE 61 H ILE 61 15.910 6.880 -9.462 502 HA ILE 61 HA ILE 61 17.025 7.074 -6.745 503 HB ILE 61 HB ILE 61 18.511 7.937 -9.223 504 HG12 ILE 61 2HG1 ILE 61 19.860 5.807 -7.965 505 HG13 ILE 61 3HG1 ILE 61 18.179 5.301 -8.102 506 HG21 ILE 61 1HG2 ILE 61 20.407 7.731 -7.409 507 HG22 ILE 61 2HG2 ILE 61 19.418 9.185 -7.535 508 HG23 ILE 61 3HG2 ILE 61 19.059 7.979 -6.300 509 HD11 ILE 61 3HD1 ILE 61 18.995 4.556 -10.088 510 HD12 ILE 61 1HD1 ILE 61 18.470 6.170 -10.564 511 HD13 ILE 61 2HD1 ILE 61 20.173 5.861 -10.224 512 H TYR 62 H TYR 62 16.065 8.755 -5.817 513 HA TYR 62 HA TYR 62 15.742 11.223 -7.393 514 HB2 TYR 62 2HB TYR 62 13.687 11.703 -6.238 515 HB3 TYR 62 3HB TYR 62 13.574 10.076 -6.900 516 HD1 TYR 62 HD1 TYR 62 13.078 12.050 -4.034 517 HD2 TYR 62 HD2 TYR 62 14.289 8.154 -5.242 518 HE1 TYR 62 HE1 TYR 62 12.513 11.189 -1.801 519 HE2 TYR 62 HE2 TYR 62 13.726 7.282 -3.012 520 HH TYR 62 HH TYR 62 13.162 9.262 -0.353 521 H LEU 63 H LEU 63 15.510 13.187 -5.938 522 HA LEU 63 HA LEU 63 17.505 12.990 -3.785 523 HB2 LEU 63 2HB LEU 63 16.765 15.164 -5.699 524 HB3 LEU 63 3HB LEU 63 17.532 15.564 -4.163 525 HG LEU 63 HG LEU 63 19.176 15.487 -5.939 526 HD11 LEU 63 1HD1 LEU 63 20.159 13.090 -4.795 527 HD12 LEU 63 2HD1 LEU 63 19.268 13.959 -3.546 528 HD13 LEU 63 3HD1 LEU 63 20.590 14.754 -4.401 529 HD21 LEU 63 3HD2 LEU 63 17.734 13.686 -7.187 530 HD22 LEU 63 1HD2 LEU 63 18.771 12.558 -6.312 531 HD23 LEU 63 2HD2 LEU 63 19.484 13.747 -7.402 532 H VAL 64 H VAL 64 17.173 14.122 -1.831 533 HA VAL 64 HA VAL 64 14.389 14.947 -1.328 534 HB VAL 64 HB VAL 64 16.134 13.455 0.635 535 HG11 VAL 64 1HG1 VAL 64 14.013 13.240 1.901 536 HG12 VAL 64 2HG1 VAL 64 14.561 14.910 1.736 537 HG13 VAL 64 3HG1 VAL 64 13.244 14.309 0.728 538 HG21 VAL 64 3HG2 VAL 64 13.864 12.476 -1.091 539 HG22 VAL 64 1HG2 VAL 64 15.546 11.948 -1.139 540 HG23 VAL 64 2HG2 VAL 64 14.544 11.576 0.264 541 H ASP 65 H ASP 65 14.093 16.757 -0.116 542 HA ASP 65 HA ASP 65 16.531 18.180 0.724 543 HB2 ASP 65 2HB ASP 65 14.752 20.168 0.632 544 HB3 ASP 65 3HB ASP 65 15.645 19.645 -0.794 545 H THR 66 H THR 66 16.826 18.484 2.824 546 HA THR 66 HA THR 66 15.158 17.492 4.808 547 HB THR 66 HB THR 66 16.495 19.364 6.213 548 HG1 THR 66 HG1 THR 66 17.326 20.105 4.044 549 HG21 THR 66 3HG2 THR 66 16.764 17.052 6.674 550 HG22 THR 66 1HG2 THR 66 18.377 17.671 6.327 551 HG23 THR 66 2HG2 THR 66 17.503 16.751 5.102 552 H SER 67 H SER 67 14.981 20.462 3.081 553 HA SER 67 HA SER 67 13.735 22.184 4.828 554 HB2 SER 67 2HB SER 67 14.335 22.315 2.210 555 HB3 SER 67 3HB SER 67 12.593 22.063 2.087 556 HG SER 67 HG SER 67 14.017 24.232 3.085 557 H THR 68 H THR 68 12.453 19.336 3.292 558 HA THR 68 HA THR 68 9.767 19.930 4.317 559 HB THR 68 HB THR 68 9.180 17.805 2.976 560 HG1 THR 68 HG1 THR 68 10.731 17.578 1.170 561 HG21 THR 68 3HG2 THR 68 9.362 20.526 2.279 562 HG22 THR 68 1HG2 THR 68 8.336 19.293 1.548 563 HG23 THR 68 2HG2 THR 68 9.937 19.616 0.883 564 H ASN 69 H ASN 69 12.476 17.773 4.682 565 HA ASN 69 HA ASN 69 11.061 16.450 6.899 566 HB2 ASN 69 2HB ASN 69 12.257 14.363 6.366 567 HB3 ASN 69 3HB ASN 69 11.232 14.880 5.031 568 HD21 ASN 69 2HD2 ASN 69 15.026 14.121 4.349 569 HD22 ASN 69 1HD2 ASN 69 14.104 13.574 5.705 570 HA PRO 70 HA PRO 70 15.077 18.436 8.253 571 HB2 PRO 70 2HB PRO 70 13.989 19.865 10.289 572 HB3 PRO 70 3HB PRO 70 14.094 20.477 8.634 573 HG2 PRO 70 2HG PRO 70 11.766 19.240 10.051 574 HG3 PRO 70 3HG PRO 70 11.803 20.659 8.989 575 HD2 PRO 70 2HD PRO 70 10.985 18.222 8.136 576 HD3 PRO 70 3HD PRO 70 11.808 19.380 7.071 577 H GLU 71 H GLU 71 12.367 17.340 10.297 578 HA GLU 71 HA GLU 71 13.855 16.608 12.535 579 HB2 GLU 71 2HB GLU 71 11.211 15.730 11.432 580 HB3 GLU 71 3HB GLU 71 11.890 14.905 12.828 581 HG2 GLU 71 2HG GLU 71 11.192 16.510 14.174 582 HG3 GLU 71 3HG GLU 71 12.050 17.728 13.231 583 H ALA 72 H ALA 72 13.291 14.925 9.524 584 HA ALA 72 HA ALA 72 13.965 12.329 10.180 585 HB1 ALA 72 1HB ALA 72 14.797 13.710 7.636 586 HB2 ALA 72 2HB ALA 72 14.490 11.990 7.877 587 HB3 ALA 72 3HB ALA 72 13.158 13.142 7.959 588 H ARG 73 H ARG 73 16.129 15.014 9.339 589 HA ARG 73 HA ARG 73 18.541 13.643 9.310 590 HB2 ARG 73 2HB ARG 73 17.685 16.373 9.367 591 HB3 ARG 73 3HB ARG 73 19.009 16.172 10.508 592 HG2 ARG 73 2HG ARG 73 19.621 14.817 8.058 593 HG3 ARG 73 3HG ARG 73 19.167 16.491 7.733 594 HD2 ARG 73 2HD ARG 73 21.306 15.521 9.622 595 HD3 ARG 73 3HD ARG 73 21.546 16.368 8.094 596 HE ARG 73 HE ARG 73 19.962 17.981 9.728 597 HH11 ARG 73 1HH1 ARG 73 23.200 16.703 9.638 598 HH12 ARG 73 2HH1 ARG 73 23.888 18.033 10.510 599 HH21 ARG 73 2HH2 ARG 73 22.554 19.757 11.214 600 HH22 ARG 73 1HH2 ARG 73 20.857 19.736 10.876 601 H GLU 74 H GLU 74 17.328 15.587 12.050 602 HA GLU 74 HA GLU 74 19.180 14.641 13.916 603 HB2 GLU 74 2HB GLU 74 17.275 16.561 13.947 604 HB3 GLU 74 3HB GLU 74 16.493 15.337 14.938 605 HG2 GLU 74 2HG GLU 74 18.256 15.360 16.518 606 HG3 GLU 74 3HG GLU 74 19.282 16.324 15.458 607 H TRP 75 H TRP 75 16.263 13.232 12.701 608 HA TRP 75 HA TRP 75 15.510 11.513 14.723 609 HB2 TRP 75 2HB TRP 75 14.500 11.902 12.352 610 HB3 TRP 75 3HB TRP 75 15.550 10.572 11.873 611 HD1 TRP 75 HD1 TRP 75 12.410 11.330 13.903 612 HE1 TRP 75 HE1 TRP 75 11.231 9.112 14.465 613 HE3 TRP 75 HE3 TRP 75 15.994 8.068 12.273 614 HZ2 TRP 75 HZ2 TRP 75 11.751 6.347 14.248 615 HZ3 TRP 75 HZ3 TRP 75 15.575 5.653 12.487 616 HH2 TRP 75 HH2 TRP 75 13.498 4.812 13.455 617 H TYR 76 H TYR 76 18.175 11.224 12.455 618 HA TYR 76 HA TYR 76 19.113 8.877 13.965 619 HB2 TYR 76 2HB TYR 76 18.237 8.287 11.681 620 HB3 TYR 76 3HB TYR 76 19.518 9.282 10.998 621 HD1 TYR 76 HD1 TYR 76 21.058 7.883 9.988 622 HD2 TYR 76 HD2 TYR 76 19.515 6.820 13.808 623 HE1 TYR 76 HE1 TYR 76 22.595 5.965 10.068 624 HE2 TYR 76 HE2 TYR 76 21.049 4.900 13.900 625 HH TYR 76 HH TYR 76 22.529 3.671 12.769 626 H ASN 77 H ASN 77 19.660 11.986 13.516 627 HA ASN 77 HA ASN 77 21.454 13.390 13.587 628 HB2 ASN 77 2HB ASN 77 23.183 11.275 14.763 629 HB3 ASN 77 3HB ASN 77 22.912 12.932 15.296 630 HD21 ASN 77 2HD2 ASN 77 21.055 9.961 17.117 631 HD22 ASN 77 1HD2 ASN 77 22.424 9.800 16.075 632 H ILE 78 H ILE 78 21.854 13.559 11.373 633 HA ILE 78 HA ILE 78 23.890 11.769 10.250 634 HB ILE 78 HB ILE 78 21.955 13.673 8.943 635 HG12 ILE 78 2HG1 ILE 78 22.062 10.996 7.882 636 HG13 ILE 78 3HG1 ILE 78 21.836 10.941 9.627 637 HG21 ILE 78 1HG2 ILE 78 23.906 13.973 7.674 638 HG22 ILE 78 2HG2 ILE 78 24.341 12.268 7.784 639 HG23 ILE 78 3HG2 ILE 78 22.972 12.767 6.790 640 HD11 ILE 78 3HD1 ILE 78 20.130 12.905 8.345 641 HD12 ILE 78 1HD1 ILE 78 19.869 11.270 7.740 642 HD13 ILE 78 2HD1 ILE 78 19.724 11.605 9.466 643 H THR 79 H THR 79 25.875 12.465 9.685 644 HA THR 79 HA THR 79 26.506 15.287 10.234 645 HB THR 79 HB THR 79 28.887 14.472 10.416 646 HG1 THR 79 HG1 THR 79 28.967 12.121 10.884 647 HG21 THR 79 3HG2 THR 79 27.905 14.907 12.475 648 HG22 THR 79 1HG2 THR 79 28.397 13.222 12.642 649 HG23 THR 79 2HG2 THR 79 26.714 13.619 12.294 650 H SER 80 H SER 80 26.678 12.747 7.854 651 HA SER 80 HA SER 80 28.139 14.512 6.017 652 HB2 SER 80 2HB SER 80 27.565 11.869 4.968 653 HB3 SER 80 3HB SER 80 29.122 12.662 5.208 654 HG SER 80 HG SER 80 29.148 11.927 7.314 655 H VAL 81 H VAL 81 26.614 15.880 5.213 656 HA VAL 81 HA VAL 81 24.001 15.622 4.691 657 HB VAL 81 HB VAL 81 25.163 16.744 2.307 658 HG11 VAL 81 1HG1 VAL 81 22.999 17.316 3.444 659 HG12 VAL 81 2HG1 VAL 81 23.947 18.157 4.672 660 HG13 VAL 81 3HG1 VAL 81 23.995 18.700 2.995 661 HG21 VAL 81 3HG2 VAL 81 27.216 16.843 3.662 662 HG22 VAL 81 1HG2 VAL 81 26.577 18.448 3.302 663 HG23 VAL 81 2HG2 VAL 81 26.340 17.742 4.901 664 HA PRO 82 HA PRO 82 24.685 13.424 0.442 665 HB2 PRO 82 2HB PRO 82 27.187 12.524 -0.107 666 HB3 PRO 82 3HB PRO 82 26.631 14.144 -0.544 667 HG2 PRO 82 2HG PRO 82 28.289 13.276 1.792 668 HG3 PRO 82 3HG PRO 82 28.495 14.686 0.737 669 HD2 PRO 82 2HD PRO 82 27.365 14.856 3.192 670 HD3 PRO 82 3HD PRO 82 26.883 15.907 1.844 671 H THR 83 H THR 83 23.564 12.038 2.103 672 HA THR 83 HA THR 83 25.114 9.642 2.801 673 HB THR 83 HB THR 83 22.615 9.344 3.962 674 HG1 THR 83 HG1 THR 83 22.409 11.432 5.058 675 HG21 THR 83 3HG2 THR 83 24.887 8.903 4.921 676 HG22 THR 83 1HG2 THR 83 23.763 9.671 6.041 677 HG23 THR 83 2HG2 THR 83 25.019 10.629 5.257 678 H PHE 84 H PHE 84 23.924 7.547 2.656 679 HA PHE 84 HA PHE 84 22.056 7.485 0.385 680 HB2 PHE 84 2HB PHE 84 24.680 6.143 0.667 681 HB3 PHE 84 3HB PHE 84 23.374 5.155 0.020 682 HD1 PHE 84 HD1 PHE 84 21.871 6.718 -1.725 683 HD2 PHE 84 HD2 PHE 84 26.050 6.973 -0.960 684 HE1 PHE 84 HE1 PHE 84 22.213 7.721 -3.946 685 HE2 PHE 84 HE2 PHE 84 26.399 7.977 -3.179 686 HZ PHE 84 HZ PHE 84 24.479 8.353 -4.675 687 H VAL 85 H VAL 85 20.200 6.696 1.108 688 HA VAL 85 HA VAL 85 20.267 4.570 3.148 689 HB VAL 85 HB VAL 85 17.937 6.391 2.553 690 HG11 VAL 85 1HG1 VAL 85 17.609 4.119 3.667 691 HG12 VAL 85 2HG1 VAL 85 18.459 4.808 5.052 692 HG13 VAL 85 3HG1 VAL 85 16.947 5.527 4.496 693 HG21 VAL 85 3HG2 VAL 85 19.862 7.698 3.347 694 HG22 VAL 85 1HG2 VAL 85 18.554 7.661 4.530 695 HG23 VAL 85 2HG2 VAL 85 19.980 6.649 4.759 696 H ILE 86 H ILE 86 19.338 2.652 2.724 697 HA ILE 86 HA ILE 86 17.758 2.405 0.249 698 HB ILE 86 HB ILE 86 19.304 0.044 1.148 699 HG12 ILE 86 2HG1 ILE 86 20.598 2.414 -0.218 700 HG13 ILE 86 3HG1 ILE 86 20.974 1.812 1.393 701 HG21 ILE 86 1HG2 ILE 86 17.843 -0.068 -0.789 702 HG22 ILE 86 2HG2 ILE 86 18.717 1.263 -1.547 703 HG23 ILE 86 3HG2 ILE 86 19.524 -0.281 -1.276 704 HD11 ILE 86 3HD1 ILE 86 21.722 0.737 -1.262 705 HD12 ILE 86 1HD1 ILE 86 22.666 0.859 0.223 706 HD13 ILE 86 2HD1 ILE 86 21.454 -0.411 0.049 707 H GLU 87 H GLU 87 15.841 1.428 0.447 708 HA GLU 87 HA GLU 87 15.288 -0.026 2.951 709 HB2 GLU 87 2HB GLU 87 13.111 0.856 3.019 710 HB3 GLU 87 3HB GLU 87 14.129 2.225 2.595 711 HG2 GLU 87 2HG GLU 87 12.557 0.581 0.626 712 HG3 GLU 87 3HG GLU 87 12.034 2.122 1.302 713 H LYS 88 H LYS 88 13.342 -1.525 2.708 714 HA LYS 88 HA LYS 88 12.722 -2.584 0.144 715 HB2 LYS 88 2HB LYS 88 15.154 -3.403 0.843 716 HB3 LYS 88 3HB LYS 88 14.229 -4.581 1.765 717 HG2 LYS 88 2HG LYS 88 12.998 -4.756 -0.632 718 HG3 LYS 88 3HG LYS 88 14.641 -4.347 -1.133 719 HD2 LYS 88 2HD LYS 88 14.792 -6.634 -1.039 720 HD3 LYS 88 3HD LYS 88 15.284 -6.216 0.604 721 HE2 LYS 88 2HE LYS 88 12.555 -6.382 0.818 722 HE3 LYS 88 3HE LYS 88 12.923 -7.651 -0.348 723 HZ1 LYS 88 3HZ LYS 88 13.474 -8.910 1.374 724 HZ2 LYS 88 1HZ LYS 88 13.357 -7.616 2.458 725 HZ3 LYS 88 2HZ LYS 88 14.808 -7.905 1.639 726 H GLY 89 H GLY 89 10.813 -3.604 0.259 727 HA2 GLY 89 2HA GLY 89 8.934 -4.583 1.141 728 HA3 GLY 89 3HA GLY 89 9.998 -5.328 2.324 729 H GLY 90 H GLY 90 10.128 -1.920 2.244 730 HA2 GLY 90 2HA GLY 90 9.101 -0.285 3.537 731 HA3 GLY 90 3HA GLY 90 7.976 -1.498 4.127 732 H GLU 91 H GLU 91 11.518 -1.102 4.272 733 HA GLU 91 HA GLU 91 11.629 -0.533 7.018 734 HB2 GLU 91 2HB GLU 91 11.302 -3.337 6.348 735 HB3 GLU 91 3HB GLU 91 12.810 -3.056 7.206 736 HG2 GLU 91 2HG GLU 91 11.070 -1.599 8.697 737 HG3 GLU 91 3HG GLU 91 10.047 -2.929 8.158 738 HA PRO 92 HA PRO 92 15.789 0.368 5.958 739 HB2 PRO 92 2HB PRO 92 17.053 0.052 8.340 740 HB3 PRO 92 3HB PRO 92 15.971 1.407 7.999 741 HG2 PRO 92 2HG PRO 92 15.417 -1.130 9.488 742 HG3 PRO 92 3HG PRO 92 14.938 0.530 9.888 743 HD2 PRO 92 2HD PRO 92 13.241 -1.239 8.737 744 HD3 PRO 92 3HD PRO 92 13.163 0.506 8.418 745 H LEU 93 H LEU 93 17.239 -0.795 4.871 746 HA LEU 93 HA LEU 93 17.802 -3.542 5.768 747 HB2 LEU 93 2HB LEU 93 16.738 -3.246 3.529 748 HB3 LEU 93 3HB LEU 93 18.185 -2.382 3.014 749 HG LEU 93 HG LEU 93 19.498 -4.456 3.456 750 HD11 LEU 93 1HD1 LEU 93 17.334 -5.270 4.883 751 HD12 LEU 93 2HD1 LEU 93 18.602 -6.337 4.282 752 HD13 LEU 93 3HD1 LEU 93 17.105 -6.147 3.369 753 HD21 LEU 93 3HD2 LEU 93 17.362 -5.217 1.536 754 HD22 LEU 93 1HD2 LEU 93 19.116 -5.260 1.357 755 HD23 LEU 93 2HD2 LEU 93 18.256 -3.725 1.238 756 H GLY 94 H GLY 94 19.247 -0.538 4.624 757 HA2 GLY 94 2HA GLY 94 21.667 -1.082 6.065 758 HA3 GLY 94 3HA GLY 94 21.883 -1.210 4.326 759 H GLU 95 H GLU 95 23.429 0.600 5.327 760 HA GLU 95 HA GLU 95 22.500 3.049 4.218 761 HB2 GLU 95 2HB GLU 95 22.539 4.433 6.208 762 HB3 GLU 95 3HB GLU 95 21.354 3.149 6.404 763 HG2 GLU 95 2HG GLU 95 23.302 1.900 7.589 764 HG3 GLU 95 3HG GLU 95 23.987 3.516 7.753 765 H VAL 96 H VAL 96 24.167 4.474 3.800 766 HA VAL 96 HA VAL 96 26.838 3.694 4.766 767 HB VAL 96 HB VAL 96 26.170 4.564 1.951 768 HG11 VAL 96 1HG1 VAL 96 28.689 3.594 1.845 769 HG12 VAL 96 2HG1 VAL 96 28.297 5.303 2.045 770 HG13 VAL 96 3HG1 VAL 96 28.689 4.315 3.454 771 HG21 VAL 96 3HG2 VAL 96 26.962 1.880 3.073 772 HG22 VAL 96 1HG2 VAL 96 25.438 2.304 2.294 773 HG23 VAL 96 2HG2 VAL 96 26.929 2.268 1.353 774 H LYS 97 H LYS 97 28.327 5.359 5.058 775 HA LYS 97 HA LYS 97 27.299 8.098 4.749 776 HB2 LYS 97 2HB LYS 97 28.924 7.242 7.135 777 HB3 LYS 97 3HB LYS 97 28.005 8.726 6.918 778 HG2 LYS 97 2HG LYS 97 26.367 7.760 8.055 779 HG3 LYS 97 3HG LYS 97 26.121 6.703 6.663 780 HD2 LYS 97 2HD LYS 97 28.043 5.306 7.740 781 HD3 LYS 97 3HD LYS 97 27.599 6.179 9.209 782 HE2 LYS 97 2HE LYS 97 25.781 4.475 7.509 783 HE3 LYS 97 3HE LYS 97 26.419 4.063 9.100 784 HZ1 LYS 97 3HZ LYS 97 24.375 4.857 9.661 785 HZ2 LYS 97 1HZ LYS 97 24.306 5.958 8.378 786 HZ3 LYS 97 2HZ LYS 97 25.252 6.302 9.737 787 H GLY 98 H GLY 98 28.582 8.486 2.950 788 HA2 GLY 98 2HA GLY 98 30.930 9.723 3.085 789 HA3 GLY 98 3HA GLY 98 31.457 8.047 3.146 790 HA PRO 99 HA PRO 99 30.612 9.651 -1.285 791 HB2 PRO 99 2HB PRO 99 33.145 10.292 -2.021 792 HB3 PRO 99 3HB PRO 99 32.028 11.460 -1.305 793 HG2 PRO 99 2HG PRO 99 34.237 9.910 -0.008 794 HG3 PRO 99 3HG PRO 99 33.796 11.616 0.198 795 HD2 PRO 99 2HD PRO 99 33.090 9.702 1.979 796 HD3 PRO 99 3HD PRO 99 32.079 11.125 1.655 797 H ASP 100 H ASP 100 30.201 7.527 -1.851 798 HA ASP 100 HA ASP 100 32.493 6.056 -2.894 799 HB2 ASP 100 2HB ASP 100 31.799 3.952 -1.866 800 HB3 ASP 100 3HB ASP 100 32.143 5.155 -0.625 801 H ILE 101 H ILE 101 30.969 7.329 -4.570 802 HA ILE 101 HA ILE 101 28.545 6.222 -5.384 803 HB ILE 101 HB ILE 101 30.676 7.620 -6.996 804 HG12 ILE 101 2HG1 ILE 101 29.546 8.930 -5.215 805 HG13 ILE 101 3HG1 ILE 101 29.205 9.544 -6.829 806 HG21 ILE 101 1HG2 ILE 101 29.617 6.678 -8.754 807 HG22 ILE 101 2HG2 ILE 101 28.150 6.349 -7.834 808 HG23 ILE 101 3HG2 ILE 101 28.452 7.969 -8.462 809 HD11 ILE 101 3HD1 ILE 101 27.390 7.894 -5.092 810 HD12 ILE 101 1HD1 ILE 101 27.194 9.587 -5.545 811 HD13 ILE 101 2HD1 ILE 101 27.046 8.323 -6.767 812 H ASP 102 H ASP 102 31.806 5.125 -5.867 813 HA ASP 102 HA ASP 102 31.171 3.294 -7.989 814 HB2 ASP 102 2HB ASP 102 33.520 4.352 -6.892 815 HB3 ASP 102 3HB ASP 102 33.585 2.628 -6.532 816 H LYS 103 H LYS 103 31.907 2.971 -4.525 817 HA LYS 103 HA LYS 103 31.518 0.165 -4.437 818 HB2 LYS 103 2HB LYS 103 32.714 1.751 -2.752 819 HB3 LYS 103 3HB LYS 103 31.110 1.950 -2.059 820 HG2 LYS 103 2HG LYS 103 31.105 -0.102 -1.146 821 HG3 LYS 103 3HG LYS 103 31.935 -0.832 -2.522 822 HD2 LYS 103 2HD LYS 103 33.370 0.988 -0.615 823 HD3 LYS 103 3HD LYS 103 33.173 -0.732 -0.271 824 HE2 LYS 103 2HE LYS 103 34.104 -0.244 -2.978 825 HE3 LYS 103 3HE LYS 103 35.192 0.432 -1.766 826 HZ1 LYS 103 3HZ LYS 103 34.220 -2.285 -1.324 827 HZ2 LYS 103 1HZ LYS 103 35.731 -1.606 -0.978 828 HZ3 LYS 103 2HZ LYS 103 35.353 -2.066 -2.561 829 H LEU 104 H LEU 104 29.352 2.816 -4.512 830 HA LEU 104 HA LEU 104 27.159 1.790 -3.109 831 HB2 LEU 104 2HB LEU 104 27.317 4.108 -3.855 832 HB3 LEU 104 3HB LEU 104 27.195 3.583 -5.533 833 HG LEU 104 HG LEU 104 24.912 2.554 -4.349 834 HD11 LEU 104 1HD1 LEU 104 24.612 5.332 -3.580 835 HD12 LEU 104 2HD1 LEU 104 25.815 4.495 -2.600 836 HD13 LEU 104 3HD1 LEU 104 24.173 3.863 -2.709 837 HD21 LEU 104 3HD2 LEU 104 24.738 5.224 -5.605 838 HD22 LEU 104 1HD2 LEU 104 23.871 3.733 -5.975 839 HD23 LEU 104 2HD2 LEU 104 25.525 3.956 -6.546 840 H ARG 105 H ARG 105 28.527 0.864 -6.111 841 HA ARG 105 HA ARG 105 26.164 -0.306 -7.234 842 HB2 ARG 105 2HB ARG 105 28.156 0.477 -8.558 843 HB3 ARG 105 3HB ARG 105 29.038 -0.912 -7.936 844 HG2 ARG 105 2HG ARG 105 27.827 -2.415 -9.181 845 HG3 ARG 105 3HG ARG 105 26.434 -1.341 -9.318 846 HD2 ARG 105 2HD ARG 105 27.169 -0.769 -11.337 847 HD3 ARG 105 3HD ARG 105 28.533 0.023 -10.549 848 HE ARG 105 HE ARG 105 28.559 -2.485 -11.972 849 HH11 ARG 105 1HH1 ARG 105 30.169 -0.477 -9.627 850 HH12 ARG 105 2HH1 ARG 105 31.715 -1.226 -9.854 851 HH21 ARG 105 2HH2 ARG 105 31.953 -2.933 -11.364 852 HH22 ARG 105 1HH2 ARG 105 30.589 -3.479 -12.280 853 H GLU 106 H GLU 106 28.015 -1.147 -4.635 854 HA GLU 106 HA GLU 106 27.599 -4.032 -5.025 855 HB2 GLU 106 2HB GLU 106 29.376 -4.456 -3.609 856 HB3 GLU 106 3HB GLU 106 29.902 -2.974 -4.394 857 HG2 GLU 106 2HG GLU 106 30.317 -2.297 -2.305 858 HG3 GLU 106 3HG GLU 106 28.587 -1.963 -2.265 859 H THR 107 H THR 107 26.548 -1.294 -3.254 860 HA THR 107 HA THR 107 25.441 -2.777 -1.040 861 HB THR 107 HB THR 107 24.544 0.001 -1.656 862 HG1 THR 107 HG1 THR 107 27.131 -0.655 -0.647 863 HG21 THR 107 3HG2 THR 107 24.504 0.237 0.698 864 HG22 THR 107 1HG2 THR 107 25.512 -1.189 0.935 865 HG23 THR 107 2HG2 THR 107 23.851 -1.367 0.370 866 H LEU 108 H LEU 108 24.242 -1.259 -3.997 867 HA LEU 108 HA LEU 108 21.505 -2.002 -3.417 868 HB2 LEU 108 2HB LEU 108 20.896 -0.669 -5.160 869 HB3 LEU 108 3HB LEU 108 22.436 0.072 -4.729 870 HG LEU 108 HG LEU 108 23.331 -1.604 -6.583 871 HD11 LEU 108 1HD1 LEU 108 20.739 -2.249 -6.780 872 HD12 LEU 108 2HD1 LEU 108 21.859 -2.314 -8.141 873 HD13 LEU 108 3HD1 LEU 108 20.800 -0.919 -7.938 874 HD21 LEU 108 3HD2 LEU 108 22.594 1.151 -6.467 875 HD22 LEU 108 1HD2 LEU 108 22.252 0.528 -8.081 876 HD23 LEU 108 2HD2 LEU 108 23.875 0.382 -7.405 877 H ASP 109 H ASP 109 24.216 -3.284 -5.123 878 HA ASP 109 HA ASP 109 22.877 -4.954 -6.956 879 HB2 ASP 109 2HB ASP 109 25.082 -4.878 -7.519 880 HB3 ASP 109 3HB ASP 109 25.613 -4.757 -5.845 881 H GLU 110 H GLU 110 24.313 -5.734 -3.784 882 HA GLU 110 HA GLU 110 23.429 -8.378 -3.656 883 HB2 GLU 110 2HB GLU 110 23.826 -6.491 -1.328 884 HB3 GLU 110 3HB GLU 110 23.849 -8.248 -1.265 885 HG2 GLU 110 2HG GLU 110 25.784 -6.707 -2.955 886 HG3 GLU 110 3HG GLU 110 26.083 -7.026 -1.248 887 H LEU 111 H LEU 111 21.720 -5.418 -3.214 888 HA LEU 111 HA LEU 111 19.484 -6.707 -1.865 889 HB2 LEU 111 2HB LEU 111 19.866 -4.587 -0.998 890 HB3 LEU 111 3HB LEU 111 20.176 -3.888 -2.586 891 HG LEU 111 HG LEU 111 17.771 -4.052 -3.101 892 HD11 LEU 111 1HD1 LEU 111 16.373 -5.268 -1.885 893 HD12 LEU 111 2HD1 LEU 111 16.809 -4.387 -0.420 894 HD13 LEU 111 3HD1 LEU 111 17.744 -5.799 -0.911 895 HD21 LEU 111 3HD2 LEU 111 18.736 -1.999 -2.144 896 HD22 LEU 111 1HD2 LEU 111 18.349 -2.589 -0.528 897 HD23 LEU 111 2HD2 LEU 111 17.053 -2.235 -1.670 898 H LEU 112 H LEU 112 20.516 -6.008 -5.025 899 HA LEU 112 HA LEU 112 17.884 -5.821 -6.193 900 HB2 LEU 112 2HB LEU 112 20.189 -4.857 -7.017 901 HB3 LEU 112 3HB LEU 112 20.321 -6.434 -7.794 902 HG LEU 112 HG LEU 112 19.483 -4.844 -9.383 903 HD11 LEU 112 1HD1 LEU 112 17.743 -6.085 -10.215 904 HD12 LEU 112 2HD1 LEU 112 17.008 -6.323 -8.630 905 HD13 LEU 112 3HD1 LEU 112 18.454 -7.228 -9.076 906 HD21 LEU 112 3HD2 LEU 112 17.239 -4.304 -7.442 907 HD22 LEU 112 1HD2 LEU 112 17.437 -3.594 -9.044 908 HD23 LEU 112 2HD2 LEU 112 18.592 -3.217 -7.765 909 H ALA 113 H ALA 113 20.554 -8.176 -6.431 910 HA ALA 113 HA ALA 113 19.249 -10.138 -7.873 911 HB1 ALA 113 1HB ALA 113 21.299 -10.531 -5.695 912 HB2 ALA 113 2HB ALA 113 20.862 -11.715 -6.927 913 HB3 ALA 113 3HB ALA 113 21.638 -10.202 -7.394 914 H ARG 114 H ARG 114 18.990 -9.347 -4.478 915 HA ARG 114 HA ARG 114 17.781 -11.698 -3.550 916 HB2 ARG 114 2HB ARG 114 18.616 -9.456 -2.347 917 HB3 ARG 114 3HB ARG 114 16.894 -9.104 -2.405 918 HG2 ARG 114 2HG ARG 114 16.831 -10.198 -0.457 919 HG3 ARG 114 3HG ARG 114 16.877 -11.648 -1.463 920 HD2 ARG 114 2HD ARG 114 18.993 -12.149 -0.868 921 HD3 ARG 114 3HD ARG 114 19.496 -10.459 -0.853 922 HE ARG 114 HE ARG 114 18.606 -12.012 1.379 923 HH11 ARG 114 1HH1 ARG 114 18.784 -8.793 0.065 924 HH12 ARG 114 2HH1 ARG 114 18.732 -8.017 1.614 925 HH21 ARG 114 2HH2 ARG 114 18.592 -9.275 3.523 926 HH22 ARG 114 1HH2 ARG 114 18.536 -11.002 3.423 927 H LEU 115 H LEU 115 16.289 -8.669 -4.685 928 HA LEU 115 HA LEU 115 13.637 -9.753 -4.558 929 HB2 LEU 115 2HB LEU 115 14.788 -7.208 -4.791 930 HB3 LEU 115 3HB LEU 115 13.858 -7.451 -6.269 931 HG LEU 115 HG LEU 115 12.593 -6.276 -4.507 932 HD11 LEU 115 1HD1 LEU 115 10.575 -7.624 -4.669 933 HD12 LEU 115 2HD1 LEU 115 11.530 -9.017 -5.174 934 HD13 LEU 115 3HD1 LEU 115 11.433 -7.594 -6.210 935 HD21 LEU 115 3HD2 LEU 115 13.769 -7.739 -2.689 936 HD22 LEU 115 1HD2 LEU 115 12.412 -8.829 -2.972 937 HD23 LEU 115 2HD2 LEU 115 12.116 -7.173 -2.442 938 H GLU 116 H GLU 116 15.511 -8.500 -7.327 939 HA GLU 116 HA GLU 116 13.964 -10.245 -9.094 940 HB2 GLU 116 2HB GLU 116 14.847 -7.619 -9.344 941 HB3 GLU 116 3HB GLU 116 15.921 -8.531 -10.396 942 HG2 GLU 116 2HG GLU 116 12.924 -8.726 -10.509 943 HG3 GLU 116 3HG GLU 116 13.872 -7.613 -11.492 Start of MODEL 2 1 H1 MET 1 H MET 1 3.588 0.638 -1.169 2 HA MET 1 HA MET 1 1.320 0.284 0.271 3 HB2 MET 1 2HB MET 1 2.204 2.487 -0.038 4 HB3 MET 1 3HB MET 1 1.922 2.422 -1.772 5 HG2 MET 1 2HG MET 1 0.291 3.834 -0.642 6 HG3 MET 1 3HG MET 1 -0.472 2.446 -1.413 7 HE1 MET 1 3HE MET 1 -1.097 3.796 2.745 8 HE2 MET 1 1HE MET 1 0.486 4.138 2.044 9 HE3 MET 1 2HE MET 1 -0.980 4.641 1.201 10 H ALA 2 H ALA 2 1.700 -0.216 -3.140 11 HA ALA 2 HA ALA 2 -0.972 -1.354 -3.269 12 HB1 ALA 2 1HB ALA 2 -1.930 0.263 -4.445 13 HB2 ALA 2 2HB ALA 2 -0.478 1.243 -4.241 14 HB3 ALA 2 3HB ALA 2 -0.641 0.193 -5.648 15 H ARG 3 H ARG 3 -1.204 -1.896 -5.897 16 HA ARG 3 HA ARG 3 1.231 -3.439 -6.510 17 HB2 ARG 3 2HB ARG 3 -0.662 -4.861 -5.829 18 HB3 ARG 3 3HB ARG 3 -1.639 -4.169 -7.117 19 HG2 ARG 3 2HG ARG 3 -0.438 -5.250 -8.782 20 HG3 ARG 3 3HG ARG 3 0.953 -5.527 -7.733 21 HD2 ARG 3 2HD ARG 3 0.008 -7.626 -7.808 22 HD3 ARG 3 3HD ARG 3 -0.727 -6.960 -6.350 23 HE ARG 3 HE ARG 3 -2.443 -6.343 -8.419 24 HH11 ARG 3 1HH1 ARG 3 -1.131 -9.228 -6.978 25 HH12 ARG 3 2HH1 ARG 3 -2.513 -10.203 -7.358 26 HH21 ARG 3 2HH2 ARG 3 -4.295 -9.284 -8.466 27 HH22 ARG 3 1HH2 ARG 3 -4.267 -7.615 -8.924 28 HA PRO 4 HA PRO 4 0.361 -0.450 -9.987 29 HB2 PRO 4 2HB PRO 4 2.897 0.510 -10.132 30 HB3 PRO 4 3HB PRO 4 1.672 1.190 -9.054 31 HG2 PRO 4 2HG PRO 4 3.877 -0.739 -8.438 32 HG3 PRO 4 3HG PRO 4 3.328 0.667 -7.507 33 HD2 PRO 4 2HD PRO 4 2.618 -1.867 -6.872 34 HD3 PRO 4 3HD PRO 4 1.551 -0.476 -6.587 35 H SER 5 H SER 5 2.112 -0.153 -11.935 36 HA SER 5 HA SER 5 2.531 -2.878 -12.892 37 HB2 SER 5 2HB SER 5 2.994 -0.425 -14.559 38 HB3 SER 5 3HB SER 5 2.449 -2.025 -15.061 39 HG SER 5 HG SER 5 0.997 0.041 -13.819 40 H ASN 6 H ASN 6 4.341 0.191 -12.786 41 HA ASN 6 HA ASN 6 6.726 -0.949 -11.863 42 HB2 ASN 6 2HB ASN 6 6.386 -1.730 -14.423 43 HB3 ASN 6 3HB ASN 6 7.211 -0.196 -14.689 44 HD21 ASN 6 2HD2 ASN 6 10.330 -1.342 -13.726 45 HD22 ASN 6 1HD2 ASN 6 9.346 -0.035 -14.281 46 H VAL 7 H VAL 7 7.947 0.644 -11.057 47 HA VAL 7 HA VAL 7 7.161 3.287 -11.002 48 HB VAL 7 HB VAL 7 10.010 2.325 -10.723 49 HG11 VAL 7 1HG1 VAL 7 8.568 4.831 -9.965 50 HG12 VAL 7 2HG1 VAL 7 9.955 4.287 -9.020 51 HG13 VAL 7 3HG1 VAL 7 10.139 4.634 -10.740 52 HG21 VAL 7 3HG2 VAL 7 9.433 2.228 -8.276 53 HG22 VAL 7 1HG2 VAL 7 7.739 2.371 -8.747 54 HG23 VAL 7 2HG2 VAL 7 8.687 0.981 -9.275 55 H LYS 8 H LYS 8 7.834 5.172 -12.036 56 HA LYS 8 HA LYS 8 8.582 4.818 -14.805 57 HB2 LYS 8 2HB LYS 8 7.461 6.990 -13.142 58 HB3 LYS 8 3HB LYS 8 8.475 7.507 -14.483 59 HG2 LYS 8 2HG LYS 8 6.892 5.683 -15.710 60 HG3 LYS 8 3HG LYS 8 5.792 6.324 -14.487 61 HD2 LYS 8 2HD LYS 8 6.596 8.638 -15.301 62 HD3 LYS 8 3HD LYS 8 7.183 7.766 -16.720 63 HE2 LYS 8 2HE LYS 8 5.062 8.417 -17.378 64 HE3 LYS 8 3HE LYS 8 4.789 6.777 -16.792 65 HZ1 LYS 8 3HZ LYS 8 3.586 9.140 -15.917 66 HZ2 LYS 8 1HZ LYS 8 4.524 8.550 -14.638 67 HZ3 LYS 8 2HZ LYS 8 3.339 7.569 -15.342 68 HA PRO 9 HA PRO 9 12.844 5.834 -14.580 69 HB2 PRO 9 2HB PRO 9 13.190 7.413 -16.761 70 HB3 PRO 9 3HB PRO 9 12.910 5.671 -16.871 71 HG2 PRO 9 2HG PRO 9 10.972 7.926 -17.217 72 HG3 PRO 9 3HG PRO 9 11.151 6.448 -18.179 73 HD2 PRO 9 2HD PRO 9 9.231 6.734 -16.291 74 HD3 PRO 9 3HD PRO 9 9.981 5.168 -16.660 75 H SER 10 H SER 10 14.331 7.940 -15.090 76 HA SER 10 HA SER 10 15.043 9.959 -14.319 77 HB2 SER 10 2HB SER 10 12.372 11.094 -13.827 78 HB3 SER 10 3HB SER 10 13.695 11.708 -14.818 79 HG SER 10 HG SER 10 12.942 10.648 -16.517 80 HA PRO 11 HA PRO 11 14.965 9.866 -9.935 81 HB2 PRO 11 2HB PRO 11 15.442 12.459 -9.286 82 HB3 PRO 11 3HB PRO 11 16.679 11.396 -9.967 83 HG2 PRO 11 2HG PRO 11 14.991 13.456 -11.333 84 HG3 PRO 11 3HG PRO 11 16.721 13.119 -11.528 85 HD2 PRO 11 2HD PRO 11 14.857 12.231 -13.281 86 HD3 PRO 11 3HD PRO 11 16.342 11.325 -12.926 87 H HIS 12 H HIS 12 13.975 10.921 -7.963 88 HA HIS 12 HA HIS 12 11.248 11.848 -8.588 89 HB2 HIS 12 2HB HIS 12 12.259 9.798 -6.712 90 HB3 HIS 12 3HB HIS 12 10.993 10.847 -6.082 91 HD1 HIS 12 HD1 HIS 12 9.513 8.633 -6.048 92 HD2 HIS 12 HD2 HIS 12 10.581 10.033 -9.812 93 HE1 HIS 12 HE1 HIS 12 7.974 7.469 -7.661 94 H VAL 13 H VAL 13 10.569 13.706 -7.700 95 HA VAL 13 HA VAL 13 12.319 14.979 -5.696 96 HB VAL 13 HB VAL 13 11.652 17.146 -6.574 97 HG11 VAL 13 1HG1 VAL 13 13.166 17.140 -8.253 98 HG12 VAL 13 2HG1 VAL 13 13.447 15.491 -7.690 99 HG13 VAL 13 3HG1 VAL 13 12.404 15.784 -9.083 100 HG21 VAL 13 3HG2 VAL 13 9.698 15.519 -8.029 101 HG22 VAL 13 1HG2 VAL 13 9.623 17.209 -7.531 102 HG23 VAL 13 2HG2 VAL 13 10.479 16.762 -9.006 103 H ILE 14 H ILE 14 11.389 15.999 -3.948 104 HA ILE 14 HA ILE 14 8.466 15.850 -3.697 105 HB ILE 14 HB ILE 14 8.496 14.835 -1.609 106 HG12 ILE 14 2HG1 ILE 14 10.166 16.218 -0.530 107 HG13 ILE 14 3HG1 ILE 14 10.568 14.525 -0.263 108 HG21 ILE 14 1HG2 ILE 14 9.555 13.500 -3.684 109 HG22 ILE 14 2HG2 ILE 14 10.873 13.346 -2.524 110 HG23 ILE 14 3HG2 ILE 14 9.259 12.768 -2.108 111 HD11 ILE 14 3HD1 ILE 14 11.989 16.594 -1.817 112 HD12 ILE 14 1HD1 ILE 14 12.620 15.282 -0.822 113 HD13 ILE 14 2HD1 ILE 14 12.023 14.948 -2.448 114 H LYS 15 H LYS 15 7.853 17.002 -1.500 115 HA LYS 15 HA LYS 15 9.527 19.178 -0.704 116 HB2 LYS 15 2HB LYS 15 8.013 20.982 -1.491 117 HB3 LYS 15 3HB LYS 15 8.813 20.129 -2.805 118 HG2 LYS 15 2HG LYS 15 6.186 19.059 -2.046 119 HG3 LYS 15 3HG LYS 15 6.172 20.688 -2.725 120 HD2 LYS 15 2HD LYS 15 6.867 19.986 -4.775 121 HD3 LYS 15 3HD LYS 15 7.827 18.660 -4.115 122 HE2 LYS 15 2HE LYS 15 6.163 17.395 -4.964 123 HE3 LYS 15 3HE LYS 15 5.355 17.824 -3.457 124 HZ1 LYS 15 3HZ LYS 15 4.602 18.446 -6.104 125 HZ2 LYS 15 1HZ LYS 15 4.854 19.882 -5.245 126 HZ3 LYS 15 2HZ LYS 15 3.757 18.732 -4.666 127 H SER 16 H SER 16 8.158 17.060 0.600 128 HA SER 16 HA SER 16 6.842 18.543 2.656 129 HB2 SER 16 2HB SER 16 5.220 17.324 0.575 130 HB3 SER 16 3HB SER 16 4.839 16.660 2.164 131 HG SER 16 HG SER 16 4.778 18.981 2.821 132 H LEU 17 H LEU 17 6.179 17.143 4.471 133 HA LEU 17 HA LEU 17 8.149 15.152 4.969 134 HB2 LEU 17 2HB LEU 17 6.707 16.756 6.553 135 HB3 LEU 17 3HB LEU 17 5.739 15.289 6.682 136 HG LEU 17 HG LEU 17 7.783 14.083 7.440 137 HD11 LEU 17 1HD1 LEU 17 9.208 16.072 6.389 138 HD12 LEU 17 2HD1 LEU 17 9.804 15.071 7.712 139 HD13 LEU 17 3HD1 LEU 17 9.111 16.657 8.050 140 HD21 LEU 17 3HD2 LEU 17 7.793 15.062 9.692 141 HD22 LEU 17 1HD2 LEU 17 6.159 14.901 9.049 142 HD23 LEU 17 2HD2 LEU 17 6.946 16.480 9.071 143 H GLU 18 H GLU 18 4.600 14.975 4.672 144 HA GLU 18 HA GLU 18 4.271 12.252 4.928 145 HB2 GLU 18 2HB GLU 18 2.369 13.734 4.815 146 HB3 GLU 18 3HB GLU 18 2.770 14.192 3.165 147 HG2 GLU 18 2HG GLU 18 1.608 12.500 2.346 148 HG3 GLU 18 3HG GLU 18 2.477 11.345 3.355 149 H GLU 19 H GLU 19 4.919 14.080 1.947 150 HA GLU 19 HA GLU 19 4.850 12.026 0.112 151 HB2 GLU 19 2HB GLU 19 5.278 14.567 -0.208 152 HB3 GLU 19 3HB GLU 19 6.975 14.141 -0.039 153 HG2 GLU 19 2HG GLU 19 7.087 13.333 -2.106 154 HG3 GLU 19 3HG GLU 19 5.583 12.431 -1.926 155 H LEU 20 H LEU 20 7.400 12.875 2.371 156 HA LEU 20 HA LEU 20 9.367 11.132 1.274 157 HB2 LEU 20 2HB LEU 20 9.378 13.144 3.115 158 HB3 LEU 20 3HB LEU 20 9.550 11.722 4.141 159 HG LEU 20 HG LEU 20 11.512 11.068 2.680 160 HD11 LEU 20 1HD1 LEU 20 11.883 13.872 1.891 161 HD12 LEU 20 2HD1 LEU 20 10.626 13.004 1.011 162 HD13 LEU 20 3HD1 LEU 20 12.277 12.384 1.030 163 HD21 LEU 20 3HD2 LEU 20 11.615 12.165 4.954 164 HD22 LEU 20 1HD2 LEU 20 11.869 13.691 4.108 165 HD23 LEU 20 2HD2 LEU 20 13.033 12.379 3.928 166 H ARG 21 H ARG 21 7.630 10.907 4.385 167 HA ARG 21 HA ARG 21 8.303 8.306 5.008 168 HB2 ARG 21 2HB ARG 21 7.211 9.704 6.630 169 HB3 ARG 21 3HB ARG 21 5.776 9.839 5.622 170 HG2 ARG 21 2HG ARG 21 5.101 7.656 6.077 171 HG3 ARG 21 3HG ARG 21 6.704 7.182 6.643 172 HD2 ARG 21 2HD ARG 21 5.057 9.262 8.053 173 HD3 ARG 21 3HD ARG 21 4.896 7.543 8.407 174 HE ARG 21 HE ARG 21 7.600 8.188 8.569 175 HH11 ARG 21 1HH1 ARG 21 4.623 8.947 10.207 176 HH12 ARG 21 2HH1 ARG 21 5.385 9.225 11.738 177 HH21 ARG 21 2HH2 ARG 21 7.655 9.000 11.949 178 HH22 ARG 21 1HH2 ARG 21 8.614 8.551 10.580 179 H GLU 22 H GLU 22 5.919 9.479 2.750 180 HA GLU 22 HA GLU 22 4.575 6.966 2.436 181 HB2 GLU 22 2HB GLU 22 3.388 9.033 1.975 182 HB3 GLU 22 3HB GLU 22 4.560 9.465 0.738 183 HG2 GLU 22 2HG GLU 22 3.725 7.969 -0.778 184 HG3 GLU 22 3HG GLU 22 3.075 6.904 0.467 185 H ALA 23 H ALA 23 7.187 8.659 0.808 186 HA ALA 23 HA ALA 23 7.347 6.878 -1.414 187 HB1 ALA 23 1HB ALA 23 8.691 9.262 -0.514 188 HB2 ALA 23 2HB ALA 23 9.850 8.070 -1.103 189 HB3 ALA 23 3HB ALA 23 8.533 8.609 -2.144 190 H THR 24 H THR 24 8.546 6.831 1.826 191 HA THR 24 HA THR 24 10.679 4.979 1.384 192 HB THR 24 HB THR 24 10.005 4.678 4.038 193 HG1 THR 24 HG1 THR 24 8.649 6.256 4.447 194 HG21 THR 24 3HG2 THR 24 11.787 6.702 2.688 195 HG22 THR 24 1HG2 THR 24 12.238 5.114 3.305 196 HG23 THR 24 2HG2 THR 24 11.792 6.401 4.425 197 H ALA 25 H ALA 25 7.280 4.701 1.693 198 HA ALA 25 HA ALA 25 7.373 1.901 2.491 199 HB1 ALA 25 1HB ALA 25 4.957 2.018 2.560 200 HB2 ALA 25 2HB ALA 25 5.649 3.386 3.432 201 HB3 ALA 25 3HB ALA 25 4.987 3.616 1.814 202 H SER 26 H SER 26 8.186 3.223 -0.231 203 HA SER 26 HA SER 26 6.471 2.159 -2.201 204 HB2 SER 26 2HB SER 26 7.950 3.862 -2.911 205 HB3 SER 26 3HB SER 26 9.356 3.034 -2.242 206 HG SER 26 HG SER 26 9.444 2.600 -4.373 207 H ASN 27 H ASN 27 6.669 0.314 -3.499 208 HA ASN 27 HA ASN 27 7.959 -1.933 -2.149 209 HB2 ASN 27 2HB ASN 27 6.513 -3.357 -3.394 210 HB3 ASN 27 3HB ASN 27 5.526 -1.998 -2.864 211 HD21 ASN 27 2HD2 ASN 27 5.034 -0.685 -6.095 212 HD22 ASN 27 1HD2 ASN 27 5.114 -0.298 -4.413 213 H ARG 28 H ARG 28 9.637 -0.084 -3.512 214 HA ARG 28 HA ARG 28 10.839 -1.910 -5.458 215 HB2 ARG 28 2HB ARG 28 9.447 0.332 -6.278 216 HB3 ARG 28 3HB ARG 28 11.114 0.891 -6.244 217 HG2 ARG 28 2HG ARG 28 10.735 0.108 -8.427 218 HG3 ARG 28 3HG ARG 28 11.690 -1.142 -7.627 219 HD2 ARG 28 2HD ARG 28 9.244 -2.047 -7.051 220 HD3 ARG 28 3HD ARG 28 8.874 -1.188 -8.546 221 HE ARG 28 HE ARG 28 11.151 -2.854 -8.860 222 HH11 ARG 28 1HH1 ARG 28 7.676 -2.924 -8.661 223 HH12 ARG 28 2HH1 ARG 28 7.522 -4.371 -9.601 224 HH21 ARG 28 2HH2 ARG 28 9.390 -5.415 -10.417 225 HH22 ARG 28 1HH2 ARG 28 10.961 -4.759 -10.098 226 H ILE 29 H ILE 29 12.986 -0.440 -6.238 227 HA ILE 29 HA ILE 29 14.419 -0.045 -3.699 228 HB ILE 29 HB ILE 29 15.656 -0.584 -6.396 229 HG12 ILE 29 2HG1 ILE 29 14.205 -2.464 -5.735 230 HG13 ILE 29 3HG1 ILE 29 15.907 -2.911 -5.684 231 HG21 ILE 29 1HG2 ILE 29 17.104 0.484 -4.730 232 HG22 ILE 29 2HG2 ILE 29 16.763 -0.826 -3.602 233 HG23 ILE 29 3HG2 ILE 29 17.632 -1.158 -5.100 234 HD11 ILE 29 3HD1 ILE 29 13.967 -3.119 -3.645 235 HD12 ILE 29 1HD1 ILE 29 15.673 -3.562 -3.590 236 HD13 ILE 29 2HD1 ILE 29 15.168 -1.937 -3.125 237 H SER 30 H SER 30 14.422 2.064 -3.210 238 HA SER 30 HA SER 30 15.120 3.975 -5.342 239 HB2 SER 30 2HB SER 30 13.659 4.616 -2.774 240 HB3 SER 30 3HB SER 30 13.879 5.667 -4.172 241 HG SER 30 HG SER 30 12.733 3.702 -5.240 242 H VAL 31 H VAL 31 16.498 5.747 -4.773 243 HA VAL 31 HA VAL 31 18.321 5.093 -2.552 244 HB VAL 31 HB VAL 31 18.978 6.744 -4.992 245 HG11 VAL 31 1HG1 VAL 31 20.553 5.689 -2.673 246 HG12 VAL 31 2HG1 VAL 31 21.336 6.042 -4.214 247 HG13 VAL 31 3HG1 VAL 31 20.501 7.323 -3.334 248 HG21 VAL 31 3HG2 VAL 31 18.432 4.439 -5.635 249 HG22 VAL 31 1HG2 VAL 31 20.147 4.789 -5.852 250 HG23 VAL 31 2HG2 VAL 31 19.609 3.839 -4.467 251 H ILE 32 H ILE 32 17.395 6.275 -0.915 252 HA ILE 32 HA ILE 32 16.558 8.992 -1.260 253 HB ILE 32 HB ILE 32 17.063 7.465 1.297 254 HG12 ILE 32 2HG1 ILE 32 14.294 7.983 0.545 255 HG13 ILE 32 3HG1 ILE 32 15.132 6.992 -0.643 256 HG21 ILE 32 1HG2 ILE 32 17.066 9.913 1.562 257 HG22 ILE 32 2HG2 ILE 32 15.465 9.978 0.829 258 HG23 ILE 32 3HG2 ILE 32 15.696 9.151 2.369 259 HD11 ILE 32 3HD1 ILE 32 14.461 6.401 2.189 260 HD12 ILE 32 1HD1 ILE 32 14.303 5.390 0.753 261 HD13 ILE 32 2HD1 ILE 32 15.890 5.654 1.476 262 H VAL 33 H VAL 33 17.943 10.606 -1.536 263 HA VAL 33 HA VAL 33 20.443 10.593 0.028 264 HB VAL 33 HB VAL 33 20.092 11.876 -2.682 265 HG11 VAL 33 1HG1 VAL 33 21.848 13.004 -1.742 266 HG12 VAL 33 2HG1 VAL 33 22.325 11.641 -0.728 267 HG13 VAL 33 3HG1 VAL 33 22.704 11.635 -2.450 268 HG21 VAL 33 3HG2 VAL 33 21.481 10.021 -3.538 269 HG22 VAL 33 1HG2 VAL 33 21.359 9.235 -1.964 270 HG23 VAL 33 2HG2 VAL 33 19.913 9.478 -2.943 271 H PHE 34 H PHE 34 20.464 12.134 1.513 272 HA PHE 34 HA PHE 34 18.715 14.451 1.224 273 HB2 PHE 34 2HB PHE 34 20.398 14.176 3.642 274 HB3 PHE 34 3HB PHE 34 18.692 14.587 3.496 275 HD1 PHE 34 HD1 PHE 34 21.111 11.934 3.975 276 HD2 PHE 34 HD2 PHE 34 17.007 12.808 3.264 277 HE1 PHE 34 HE1 PHE 34 20.510 9.648 4.660 278 HE2 PHE 34 HE2 PHE 34 16.398 10.525 3.949 279 HZ PHE 34 HZ PHE 34 18.150 8.942 4.649 280 H THR 35 H THR 35 19.484 16.223 0.305 281 HA THR 35 HA THR 35 22.053 17.291 1.094 282 HB THR 35 HB THR 35 22.620 15.767 -0.798 283 HG1 THR 35 HG1 THR 35 24.011 17.233 -1.616 284 HG21 THR 35 3HG2 THR 35 20.650 15.875 -2.144 285 HG22 THR 35 1HG2 THR 35 21.966 16.568 -3.090 286 HG23 THR 35 2HG2 THR 35 20.789 17.625 -2.311 287 H HIS 36 H HIS 36 22.229 19.496 0.760 288 HA HIS 36 HA HIS 36 19.807 20.942 0.530 289 HB2 HIS 36 2HB HIS 36 22.577 22.110 0.263 290 HB3 HIS 36 3HB HIS 36 21.120 22.906 0.850 291 HD1 HIS 36 HD1 HIS 36 23.832 22.661 2.457 292 HD2 HIS 36 HD2 HIS 36 20.466 20.280 2.971 293 HE1 HIS 36 HE1 HIS 36 23.996 21.761 4.799 294 HA PRO 37 HA PRO 37 19.444 21.553 -3.807 295 HB2 PRO 37 2HB PRO 37 18.113 23.919 -3.837 296 HB3 PRO 37 3HB PRO 37 17.351 22.394 -3.371 297 HG2 PRO 37 2HG PRO 37 18.444 24.573 -1.634 298 HG3 PRO 37 3HG PRO 37 16.938 23.654 -1.461 299 HD2 PRO 37 2HD PRO 37 19.161 23.094 -0.020 300 HD3 PRO 37 3HD PRO 37 18.005 21.842 -0.518 301 H ASP 38 H ASP 38 20.942 23.981 -1.797 302 HA ASP 38 HA ASP 38 22.365 25.014 -4.162 303 HB2 ASP 38 2HB ASP 38 20.984 26.775 -3.290 304 HB3 ASP 38 3HB ASP 38 21.528 26.460 -1.645 305 H SER 39 H SER 39 23.955 23.364 -3.877 306 HA SER 39 HA SER 39 26.063 24.166 -2.075 307 HB2 SER 39 2HB SER 39 24.725 22.681 -0.633 308 HB3 SER 39 3HB SER 39 24.858 21.397 -1.836 309 HG SER 39 HG SER 39 26.481 21.779 0.113 310 H LYS 40 H LYS 40 27.320 24.509 -3.879 311 HA LYS 40 HA LYS 40 27.593 22.762 -6.054 312 HB2 LYS 40 2HB LYS 40 28.375 25.220 -5.763 313 HB3 LYS 40 3HB LYS 40 29.840 24.511 -5.098 314 HG2 LYS 40 2HG LYS 40 29.755 23.098 -7.322 315 HG3 LYS 40 3HG LYS 40 28.807 24.478 -7.881 316 HD2 LYS 40 2HD LYS 40 30.909 25.695 -6.622 317 HD3 LYS 40 3HD LYS 40 31.672 24.264 -7.318 318 HE2 LYS 40 2HE LYS 40 29.838 25.915 -8.997 319 HE3 LYS 40 3HE LYS 40 31.481 26.480 -8.701 320 HZ1 LYS 40 3HZ LYS 40 32.278 24.317 -9.547 321 HZ2 LYS 40 1HZ LYS 40 31.441 25.214 -10.712 322 HZ3 LYS 40 2HZ LYS 40 30.688 23.906 -9.949 323 H ARG 41 H ARG 41 29.634 23.147 -3.162 324 HA ARG 41 HA ARG 41 31.529 21.202 -3.751 325 HB2 ARG 41 2HB ARG 41 30.442 22.163 -1.105 326 HB3 ARG 41 3HB ARG 41 31.790 21.041 -1.232 327 HG2 ARG 41 2HG ARG 41 33.221 22.690 -1.613 328 HG3 ARG 41 3HG ARG 41 32.215 23.344 -2.908 329 HD2 ARG 41 2HD ARG 41 30.916 24.610 -1.356 330 HD3 ARG 41 3HD ARG 41 31.673 23.806 0.018 331 HE ARG 41 HE ARG 41 33.628 25.113 -1.549 332 HH11 ARG 41 1HH1 ARG 41 31.052 25.758 0.702 333 HH12 ARG 41 2HH1 ARG 41 31.754 27.232 1.284 334 HH21 ARG 41 2HH2 ARG 41 33.750 27.967 0.433 335 HH22 ARG 41 1HH2 ARG 41 34.562 27.051 -0.791 336 H SER 42 H SER 42 28.245 20.870 -2.713 337 HA SER 42 HA SER 42 28.588 17.948 -2.677 338 HB2 SER 42 2HB SER 42 27.436 19.703 -0.601 339 HB3 SER 42 3HB SER 42 26.471 18.281 -0.997 340 HG SER 42 HG SER 42 27.853 17.568 0.519 341 H LYS 43 H LYS 43 27.942 18.242 -4.945 342 HA LYS 43 HA LYS 43 25.264 17.563 -5.371 343 HB2 LYS 43 2HB LYS 43 24.651 19.822 -4.906 344 HB3 LYS 43 3HB LYS 43 25.950 20.451 -5.911 345 HG2 LYS 43 2HG LYS 43 24.811 20.102 -7.851 346 HG3 LYS 43 3HG LYS 43 23.906 18.732 -7.204 347 HD2 LYS 43 2HD LYS 43 22.503 20.215 -5.913 348 HD3 LYS 43 3HD LYS 43 23.464 21.609 -6.410 349 HE2 LYS 43 2HE LYS 43 21.922 21.843 -8.020 350 HE3 LYS 43 3HE LYS 43 22.780 20.523 -8.814 351 HZ1 LYS 43 3HZ LYS 43 20.686 19.682 -8.816 352 HZ2 LYS 43 1HZ LYS 43 20.216 20.497 -7.409 353 HZ3 LYS 43 2HZ LYS 43 21.177 19.108 -7.303 354 H GLU 44 H GLU 44 28.210 18.959 -6.671 355 HA GLU 44 HA GLU 44 27.798 18.474 -9.388 356 HB2 GLU 44 2HB GLU 44 30.354 18.465 -7.777 357 HB3 GLU 44 3HB GLU 44 30.300 18.419 -9.534 358 HG2 GLU 44 2HG GLU 44 29.010 20.612 -7.944 359 HG3 GLU 44 3HG GLU 44 30.697 20.672 -8.453 360 H ILE 45 H ILE 45 28.513 16.306 -6.791 361 HA ILE 45 HA ILE 45 29.447 14.157 -8.462 362 HB ILE 45 HB ILE 45 29.312 12.780 -6.429 363 HG12 ILE 45 2HG1 ILE 45 28.835 14.286 -4.295 364 HG13 ILE 45 3HG1 ILE 45 27.832 15.175 -5.436 365 HG21 ILE 45 1HG2 ILE 45 31.321 13.568 -5.909 366 HG22 ILE 45 2HG2 ILE 45 30.978 14.986 -6.899 367 HG23 ILE 45 3HG2 ILE 45 30.613 15.006 -5.174 368 HD11 ILE 45 3HD1 ILE 45 26.963 13.105 -3.971 369 HD12 ILE 45 1HD1 ILE 45 26.284 13.552 -5.536 370 HD13 ILE 45 2HD1 ILE 45 27.476 12.257 -5.429 371 H LYS 46 H LYS 46 26.420 15.442 -7.690 372 HA LYS 46 HA LYS 46 24.763 13.216 -7.519 373 HB2 LYS 46 2HB LYS 46 24.254 15.926 -8.755 374 HB3 LYS 46 3HB LYS 46 22.998 14.726 -8.485 375 HG2 LYS 46 2HG LYS 46 24.728 15.843 -6.293 376 HG3 LYS 46 3HG LYS 46 23.157 16.510 -6.744 377 HD2 LYS 46 2HD LYS 46 22.004 14.713 -5.911 378 HD3 LYS 46 3HD LYS 46 23.344 13.594 -6.173 379 HE2 LYS 46 2HE LYS 46 24.053 15.645 -4.269 380 HE3 LYS 46 3HE LYS 46 22.590 14.798 -3.770 381 HZ1 LYS 46 3HZ LYS 46 24.477 12.926 -4.694 382 HZ2 LYS 46 1HZ LYS 46 23.814 13.081 -3.145 383 HZ3 LYS 46 2HZ LYS 46 25.221 13.926 -3.550 384 H GLU 47 H GLU 47 25.821 14.989 -10.417 385 HA GLU 47 HA GLU 47 24.442 13.589 -12.350 386 HB2 GLU 47 2HB GLU 47 25.852 15.596 -12.755 387 HB3 GLU 47 3HB GLU 47 27.285 14.592 -12.582 388 HG2 GLU 47 2HG GLU 47 27.158 14.441 -14.808 389 HG3 GLU 47 3HG GLU 47 25.940 13.211 -14.472 390 H LYS 48 H LYS 48 27.378 12.683 -10.645 391 HA LYS 48 HA LYS 48 28.214 10.541 -12.207 392 HB2 LYS 48 2HB LYS 48 29.216 11.662 -10.032 393 HB3 LYS 48 3HB LYS 48 28.380 10.337 -9.231 394 HG2 LYS 48 2HG LYS 48 30.475 9.453 -9.557 395 HG3 LYS 48 3HG LYS 48 29.609 8.854 -10.973 396 HD2 LYS 48 2HD LYS 48 30.652 10.367 -12.404 397 HD3 LYS 48 3HD LYS 48 31.117 11.442 -11.082 398 HE2 LYS 48 2HE LYS 48 32.643 9.627 -10.269 399 HE3 LYS 48 3HE LYS 48 32.280 8.743 -11.751 400 HZ1 LYS 48 3HZ LYS 48 33.197 11.511 -11.994 401 HZ2 LYS 48 1HZ LYS 48 33.467 10.190 -13.016 402 HZ3 LYS 48 2HZ LYS 48 34.341 10.337 -11.576 403 H LEU 49 H LEU 49 25.649 10.743 -9.828 404 HA LEU 49 HA LEU 49 25.179 7.902 -9.780 405 HB2 LEU 49 2HB LEU 49 24.718 9.471 -7.875 406 HB3 LEU 49 3HB LEU 49 23.364 10.101 -8.811 407 HG LEU 49 HG LEU 49 22.382 7.800 -8.786 408 HD11 LEU 49 1HD1 LEU 49 24.544 6.644 -8.328 409 HD12 LEU 49 2HD1 LEU 49 23.218 6.153 -7.274 410 HD13 LEU 49 3HD1 LEU 49 24.459 7.254 -6.675 411 HD21 LEU 49 3HD2 LEU 49 22.086 7.967 -6.124 412 HD22 LEU 49 1HD2 LEU 49 21.268 9.039 -7.260 413 HD23 LEU 49 2HD2 LEU 49 22.742 9.571 -6.451 414 H LYS 50 H LYS 50 23.929 10.680 -11.493 415 HA LYS 50 HA LYS 50 21.572 9.509 -12.508 416 HB2 LYS 50 2HB LYS 50 22.941 11.979 -12.758 417 HB3 LYS 50 3HB LYS 50 22.668 11.375 -14.387 418 HG2 LYS 50 2HG LYS 50 20.696 12.417 -14.164 419 HG3 LYS 50 3HG LYS 50 20.238 10.945 -13.303 420 HD2 LYS 50 2HD LYS 50 19.572 12.659 -11.865 421 HD3 LYS 50 3HD LYS 50 21.127 12.144 -11.207 422 HE2 LYS 50 2HE LYS 50 22.090 14.012 -12.738 423 HE3 LYS 50 3HE LYS 50 20.438 14.626 -12.729 424 HZ1 LYS 50 3HZ LYS 50 22.143 15.404 -10.944 425 HZ2 LYS 50 1HZ LYS 50 21.718 13.958 -10.173 426 HZ3 LYS 50 2HZ LYS 50 20.533 15.117 -10.511 427 H LYS 51 H LYS 51 24.869 9.702 -13.794 428 HA LYS 51 HA LYS 51 24.314 8.449 -16.265 429 HB2 LYS 51 2HB LYS 51 26.852 8.795 -14.675 430 HB3 LYS 51 3HB LYS 51 26.825 7.989 -16.238 431 HG2 LYS 51 2HG LYS 51 25.970 10.011 -17.285 432 HG3 LYS 51 3HG LYS 51 25.948 10.823 -15.718 433 HD2 LYS 51 2HD LYS 51 27.942 11.552 -16.675 434 HD3 LYS 51 3HD LYS 51 28.456 10.231 -15.624 435 HE2 LYS 51 2HE LYS 51 27.781 9.131 -18.151 436 HE3 LYS 51 3HE LYS 51 28.825 10.524 -18.429 437 HZ1 LYS 51 3HZ LYS 51 30.434 9.580 -16.895 438 HZ2 LYS 51 1HZ LYS 51 30.107 8.496 -18.152 439 HZ3 LYS 51 2HZ LYS 51 29.431 8.246 -16.622 440 H LEU 52 H LEU 52 24.990 7.223 -13.072 441 HA LEU 52 HA LEU 52 25.740 4.605 -13.707 442 HB2 LEU 52 2HB LEU 52 25.976 5.512 -11.476 443 HB3 LEU 52 3HB LEU 52 24.227 5.659 -11.323 444 HG LEU 52 HG LEU 52 25.279 2.943 -11.838 445 HD11 LEU 52 1HD1 LEU 52 25.748 4.427 -9.263 446 HD12 LEU 52 2HD1 LEU 52 26.938 3.612 -10.276 447 HD13 LEU 52 3HD1 LEU 52 25.743 2.668 -9.389 448 HD21 LEU 52 3HD2 LEU 52 22.891 3.402 -11.536 449 HD22 LEU 52 1HD2 LEU 52 23.222 4.057 -9.933 450 HD23 LEU 52 2HD2 LEU 52 23.518 2.350 -10.266 451 H ALA 53 H ALA 53 22.724 6.185 -14.004 452 HA ALA 53 HA ALA 53 20.893 4.124 -13.657 453 HB1 ALA 53 1HB ALA 53 20.486 6.042 -15.896 454 HB2 ALA 53 2HB ALA 53 19.355 5.490 -14.659 455 HB3 ALA 53 3HB ALA 53 20.599 6.671 -14.252 456 H GLU 54 H GLU 54 23.258 4.571 -16.116 457 HA GLU 54 HA GLU 54 21.994 2.924 -18.095 458 HB2 GLU 54 2HB GLU 54 23.601 4.661 -18.732 459 HB3 GLU 54 3HB GLU 54 24.867 3.830 -17.838 460 HG2 GLU 54 2HG GLU 54 23.425 2.363 -19.987 461 HG3 GLU 54 3HG GLU 54 24.640 3.560 -20.430 462 H GLU 55 H GLU 55 24.703 2.477 -15.832 463 HA GLU 55 HA GLU 55 25.294 -0.173 -16.513 464 HB2 GLU 55 2HB GLU 55 26.734 -0.163 -14.726 465 HB3 GLU 55 3HB GLU 55 26.513 1.567 -14.947 466 HG2 GLU 55 2HG GLU 55 26.226 1.407 -12.697 467 HG3 GLU 55 3HG GLU 55 24.558 1.216 -13.235 468 H PHE 56 H PHE 56 22.773 1.184 -14.551 469 HA PHE 56 HA PHE 56 21.351 -1.280 -14.475 470 HB2 PHE 56 2HB PHE 56 23.142 -1.453 -12.609 471 HB3 PHE 56 3HB PHE 56 22.137 -0.292 -11.747 472 HD1 PHE 56 HD1 PHE 56 21.286 -3.241 -13.862 473 HD2 PHE 56 HD2 PHE 56 21.059 -1.388 -10.038 474 HE1 PHE 56 HE1 PHE 56 19.861 -5.079 -13.060 475 HE2 PHE 56 HE2 PHE 56 19.635 -3.223 -9.229 476 HZ PHE 56 HZ PHE 56 19.034 -5.073 -10.740 477 HA PRO 57 HA PRO 57 18.787 2.537 -14.242 478 HB2 PRO 57 2HB PRO 57 16.960 1.673 -16.055 479 HB3 PRO 57 3HB PRO 57 18.468 2.473 -16.516 480 HG2 PRO 57 2HG PRO 57 17.809 -0.447 -16.473 481 HG3 PRO 57 3HG PRO 57 18.684 0.484 -17.702 482 HD2 PRO 57 2HD PRO 57 19.948 -1.046 -15.859 483 HD3 PRO 57 3HD PRO 57 20.654 0.449 -16.506 484 H ASP 58 H ASP 58 18.401 -0.739 -13.490 485 HA ASP 58 HA ASP 58 15.670 -0.911 -12.884 486 HB2 ASP 58 2HB ASP 58 16.597 -2.993 -12.790 487 HB3 ASP 58 3HB ASP 58 18.118 -2.401 -12.125 488 H VAL 59 H VAL 59 18.206 0.790 -11.339 489 HA VAL 59 HA VAL 59 16.775 1.000 -8.805 490 HB VAL 59 HB VAL 59 19.381 2.311 -9.586 491 HG11 VAL 59 1HG1 VAL 59 18.057 1.830 -6.920 492 HG12 VAL 59 2HG1 VAL 59 19.703 2.431 -7.129 493 HG13 VAL 59 3HG1 VAL 59 18.335 3.385 -7.703 494 HG21 VAL 59 3HG2 VAL 59 19.518 -0.142 -9.760 495 HG22 VAL 59 1HG2 VAL 59 20.503 0.490 -8.441 496 HG23 VAL 59 2HG2 VAL 59 18.954 -0.278 -8.095 497 H ASP 60 H ASP 60 16.067 2.970 -7.933 498 HA ASP 60 HA ASP 60 15.585 5.068 -9.943 499 HB2 ASP 60 2HB ASP 60 13.503 4.121 -9.235 500 HB3 ASP 60 3HB ASP 60 13.965 4.225 -7.538 501 H ILE 61 H ILE 61 15.683 7.268 -9.279 502 HA ILE 61 HA ILE 61 17.571 7.692 -7.073 503 HB ILE 61 HB ILE 61 16.851 9.484 -9.394 504 HG12 ILE 61 2HG1 ILE 61 19.600 8.897 -9.340 505 HG13 ILE 61 3HG1 ILE 61 18.784 7.368 -9.035 506 HG21 ILE 61 1HG2 ILE 61 18.402 9.954 -6.913 507 HG22 ILE 61 2HG2 ILE 61 19.041 10.627 -8.412 508 HG23 ILE 61 3HG2 ILE 61 17.423 11.068 -7.867 509 HD11 ILE 61 3HD1 ILE 61 19.070 8.845 -11.488 510 HD12 ILE 61 1HD1 ILE 61 18.532 7.186 -11.225 511 HD13 ILE 61 2HD1 ILE 61 17.374 8.514 -11.135 512 H TYR 62 H TYR 62 17.143 9.053 -5.394 513 HA TYR 62 HA TYR 62 14.556 10.445 -5.379 514 HB2 TYR 62 2HB TYR 62 14.447 8.239 -4.149 515 HB3 TYR 62 3HB TYR 62 15.613 8.901 -3.008 516 HD1 TYR 62 HD1 TYR 62 14.655 9.541 -1.019 517 HD2 TYR 62 HD2 TYR 62 12.470 10.145 -4.620 518 HE1 TYR 62 HE1 TYR 62 12.823 10.557 0.270 519 HE2 TYR 62 HE2 TYR 62 10.633 11.164 -3.341 520 HH TYR 62 HH TYR 62 9.786 10.983 -0.876 521 H LEU 63 H LEU 63 14.929 12.531 -5.081 522 HA LEU 63 HA LEU 63 17.318 13.368 -3.605 523 HB2 LEU 63 2HB LEU 63 15.704 14.497 -5.787 524 HB3 LEU 63 3HB LEU 63 16.263 15.664 -4.590 525 HG LEU 63 HG LEU 63 18.596 14.792 -5.008 526 HD11 LEU 63 1HD1 LEU 63 19.052 13.246 -6.576 527 HD12 LEU 63 2HD1 LEU 63 17.775 13.807 -7.655 528 HD13 LEU 63 3HD1 LEU 63 17.381 12.755 -6.295 529 HD21 LEU 63 3HD2 LEU 63 18.687 16.685 -6.161 530 HD22 LEU 63 1HD2 LEU 63 16.966 16.580 -6.535 531 HD23 LEU 63 2HD2 LEU 63 18.147 15.809 -7.594 532 H VAL 64 H VAL 64 17.229 14.597 -1.782 533 HA VAL 64 HA VAL 64 14.658 15.611 -0.851 534 HB VAL 64 HB VAL 64 16.330 13.817 0.910 535 HG11 VAL 64 1HG1 VAL 64 14.322 13.896 2.365 536 HG12 VAL 64 2HG1 VAL 64 15.098 15.467 2.158 537 HG13 VAL 64 3HG1 VAL 64 13.620 15.089 1.273 538 HG21 VAL 64 3HG2 VAL 64 14.506 12.175 0.671 539 HG22 VAL 64 1HG2 VAL 64 13.762 13.208 -0.550 540 HG23 VAL 64 2HG2 VAL 64 15.340 12.480 -0.853 541 H ASP 65 H ASP 65 14.824 17.418 0.385 542 HA ASP 65 HA ASP 65 17.531 18.473 0.784 543 HB2 ASP 65 2HB ASP 65 16.196 20.646 1.208 544 HB3 ASP 65 3HB ASP 65 16.288 20.034 -0.441 545 H THR 66 H THR 66 17.604 20.070 2.743 546 HA THR 66 HA THR 66 17.032 18.467 5.085 547 HB THR 66 HB THR 66 18.154 20.568 6.210 548 HG1 THR 66 HG1 THR 66 18.983 21.967 4.853 549 HG21 THR 66 3HG2 THR 66 19.098 18.254 5.950 550 HG22 THR 66 1HG2 THR 66 20.299 19.545 5.943 551 HG23 THR 66 2HG2 THR 66 19.811 18.785 4.427 552 H SER 67 H SER 67 15.604 21.083 3.420 553 HA SER 67 HA SER 67 14.228 22.166 5.723 554 HB2 SER 67 2HB SER 67 14.853 23.108 3.148 555 HB3 SER 67 3HB SER 67 13.094 22.990 3.197 556 HG SER 67 HG SER 67 13.435 24.924 4.074 557 H THR 68 H THR 68 13.725 19.698 3.403 558 HA THR 68 HA THR 68 10.850 19.658 3.611 559 HB THR 68 HB THR 68 11.288 17.295 2.515 560 HG1 THR 68 HG1 THR 68 13.334 16.936 2.156 561 HG21 THR 68 3HG2 THR 68 10.203 18.827 1.168 562 HG22 THR 68 1HG2 THR 68 11.716 18.607 0.290 563 HG23 THR 68 2HG2 THR 68 11.489 20.025 1.314 564 H ASN 69 H ASN 69 13.496 18.366 5.371 565 HA ASN 69 HA ASN 69 11.715 17.168 7.287 566 HB2 ASN 69 2HB ASN 69 12.723 14.923 7.202 567 HB3 ASN 69 3HB ASN 69 11.918 15.324 5.688 568 HD21 ASN 69 2HD2 ASN 69 15.170 13.778 4.914 569 HD22 ASN 69 1HD2 ASN 69 13.738 13.315 5.763 570 HA PRO 70 HA PRO 70 15.725 18.975 8.857 571 HB2 PRO 70 2HB PRO 70 14.559 20.718 10.581 572 HB3 PRO 70 3HB PRO 70 14.886 21.114 8.890 573 HG2 PRO 70 2HG PRO 70 12.327 20.231 10.169 574 HG3 PRO 70 3HG PRO 70 12.594 21.502 8.962 575 HD2 PRO 70 2HD PRO 70 11.664 19.044 8.308 576 HD3 PRO 70 3HD PRO 70 12.687 20.000 7.216 577 H GLU 71 H GLU 71 12.804 17.739 10.330 578 HA GLU 71 HA GLU 71 14.069 17.288 12.895 579 HB2 GLU 71 2HB GLU 71 11.340 16.665 11.784 580 HB3 GLU 71 3HB GLU 71 11.859 16.080 13.358 581 HG2 GLU 71 2HG GLU 71 11.747 18.128 14.317 582 HG3 GLU 71 3HG GLU 71 12.178 18.971 12.830 583 H ALA 72 H ALA 72 13.124 15.426 10.064 584 HA ALA 72 HA ALA 72 13.393 12.842 10.982 585 HB1 ALA 72 1HB ALA 72 12.608 13.402 8.738 586 HB2 ALA 72 2HB ALA 72 14.241 13.895 8.286 587 HB3 ALA 72 3HB ALA 72 13.907 12.210 8.683 588 H ARG 73 H ARG 73 15.919 15.108 10.017 589 HA ARG 73 HA ARG 73 18.110 13.440 9.893 590 HB2 ARG 73 2HB ARG 73 17.646 16.282 10.320 591 HB3 ARG 73 3HB ARG 73 19.078 15.713 11.166 592 HG2 ARG 73 2HG ARG 73 19.263 14.571 8.641 593 HG3 ARG 73 3HG ARG 73 18.672 16.209 8.355 594 HD2 ARG 73 2HD ARG 73 21.184 15.351 9.766 595 HD3 ARG 73 3HD ARG 73 21.031 16.344 8.316 596 HE ARG 73 HE ARG 73 20.942 17.241 11.012 597 HH11 ARG 73 1HH1 ARG 73 19.626 17.831 7.843 598 HH12 ARG 73 2HH1 ARG 73 19.308 19.507 8.144 599 HH21 ARG 73 2HH2 ARG 73 19.823 20.426 10.179 600 HH22 ARG 73 1HH2 ARG 73 20.529 19.447 11.420 601 H GLU 74 H GLU 74 17.216 15.342 12.780 602 HA GLU 74 HA GLU 74 18.947 14.036 14.539 603 HB2 GLU 74 2HB GLU 74 17.528 16.215 14.817 604 HB3 GLU 74 3HB GLU 74 16.318 15.124 15.478 605 HG2 GLU 74 2HG GLU 74 17.530 15.988 17.306 606 HG3 GLU 74 3HG GLU 74 18.062 14.321 17.089 607 H TRP 75 H TRP 75 15.783 13.166 13.380 608 HA TRP 75 HA TRP 75 14.913 11.385 15.299 609 HB2 TRP 75 2HB TRP 75 13.863 12.146 13.011 610 HB3 TRP 75 3HB TRP 75 14.614 10.671 12.407 611 HD1 TRP 75 HD1 TRP 75 12.499 11.436 15.587 612 HE1 TRP 75 HE1 TRP 75 10.681 9.624 15.770 613 HE3 TRP 75 HE3 TRP 75 13.619 8.736 11.393 614 HZ2 TRP 75 HZ2 TRP 75 9.833 7.350 14.328 615 HZ3 TRP 75 HZ3 TRP 75 12.256 6.756 10.866 616 HH2 TRP 75 HH2 TRP 75 10.403 6.079 12.305 617 H TYR 76 H TYR 76 17.399 10.969 12.869 618 HA TYR 76 HA TYR 76 18.027 8.347 14.053 619 HB2 TYR 76 2HB TYR 76 17.001 8.187 11.752 620 HB3 TYR 76 3HB TYR 76 18.412 9.040 11.137 621 HD1 TYR 76 HD1 TYR 76 18.142 6.330 13.688 622 HD2 TYR 76 HD2 TYR 76 19.609 7.507 9.871 623 HE1 TYR 76 HE1 TYR 76 19.344 4.193 13.498 624 HE2 TYR 76 HE2 TYR 76 20.814 5.372 9.670 625 HH TYR 76 HH TYR 76 20.725 2.959 12.276 626 H ASN 77 H ASN 77 19.015 11.336 14.067 627 HA ASN 77 HA ASN 77 20.995 12.452 14.239 628 HB2 ASN 77 2HB ASN 77 21.374 11.106 16.154 629 HB3 ASN 77 3HB ASN 77 21.742 9.686 15.179 630 HD21 ASN 77 2HD2 ASN 77 25.124 10.309 15.103 631 HD22 ASN 77 1HD2 ASN 77 23.798 9.221 14.892 632 H ILE 78 H ILE 78 21.317 12.979 12.075 633 HA ILE 78 HA ILE 78 23.020 11.169 10.510 634 HB ILE 78 HB ILE 78 21.129 13.360 9.750 635 HG12 ILE 78 2HG1 ILE 78 20.406 10.981 9.815 636 HG13 ILE 78 3HG1 ILE 78 20.284 11.691 8.209 637 HG21 ILE 78 1HG2 ILE 78 22.156 12.946 7.371 638 HG22 ILE 78 2HG2 ILE 78 22.855 14.143 8.460 639 HG23 ILE 78 3HG2 ILE 78 23.603 12.554 8.300 640 HD11 ILE 78 3HD1 ILE 78 22.407 9.812 9.208 641 HD12 ILE 78 1HD1 ILE 78 21.154 9.478 8.013 642 HD13 ILE 78 2HD1 ILE 78 22.447 10.619 7.640 643 H THR 79 H THR 79 25.122 11.568 10.561 644 HA THR 79 HA THR 79 26.080 14.246 11.225 645 HB THR 79 HB THR 79 28.347 13.064 11.270 646 HG1 THR 79 HG1 THR 79 28.036 10.719 11.631 647 HG21 THR 79 3HG2 THR 79 26.081 12.593 13.154 648 HG22 THR 79 1HG2 THR 79 27.552 13.537 13.380 649 HG23 THR 79 2HG2 THR 79 27.616 11.775 13.443 650 H SER 80 H SER 80 26.197 11.867 8.635 651 HA SER 80 HA SER 80 27.748 13.737 6.986 652 HB2 SER 80 2HB SER 80 27.884 11.699 5.428 653 HB3 SER 80 3HB SER 80 28.778 11.611 6.945 654 HG SER 80 HG SER 80 27.693 9.840 7.240 655 H VAL 81 H VAL 81 26.209 15.175 6.294 656 HA VAL 81 HA VAL 81 23.623 14.879 5.601 657 HB VAL 81 HB VAL 81 24.893 16.387 3.491 658 HG11 VAL 81 1HG1 VAL 81 23.407 17.416 5.894 659 HG12 VAL 81 2HG1 VAL 81 23.517 18.136 4.287 660 HG13 VAL 81 3HG1 VAL 81 22.600 16.648 4.528 661 HG21 VAL 81 3HG2 VAL 81 26.816 16.429 4.999 662 HG22 VAL 81 1HG2 VAL 81 26.068 18.022 4.876 663 HG23 VAL 81 2HG2 VAL 81 25.788 17.023 6.302 664 HA PRO 82 HA PRO 82 24.679 13.359 1.136 665 HB2 PRO 82 2HB PRO 82 27.254 12.659 0.636 666 HB3 PRO 82 3HB PRO 82 26.641 14.300 0.399 667 HG2 PRO 82 2HG PRO 82 28.197 13.172 2.694 668 HG3 PRO 82 3HG PRO 82 28.392 14.730 1.868 669 HD2 PRO 82 2HD PRO 82 27.106 14.489 4.239 670 HD3 PRO 82 3HD PRO 82 26.654 15.704 3.026 671 H THR 83 H THR 83 23.540 11.704 2.527 672 HA THR 83 HA THR 83 25.164 9.260 2.803 673 HB THR 83 HB THR 83 22.806 8.739 4.137 674 HG1 THR 83 HG1 THR 83 23.556 11.459 4.506 675 HG21 THR 83 3HG2 THR 83 24.134 8.685 6.084 676 HG22 THR 83 1HG2 THR 83 25.220 9.934 5.478 677 HG23 THR 83 2HG2 THR 83 25.244 8.321 4.764 678 H PHE 84 H PHE 84 24.174 7.239 2.222 679 HA PHE 84 HA PHE 84 22.031 7.525 0.220 680 HB2 PHE 84 2HB PHE 84 24.672 6.215 0.052 681 HB3 PHE 84 3HB PHE 84 23.329 5.283 -0.601 682 HD1 PHE 84 HD1 PHE 84 24.035 8.941 -0.622 683 HD2 PHE 84 HD2 PHE 84 23.448 5.392 -2.897 684 HE1 PHE 84 HE1 PHE 84 24.137 10.258 -2.697 685 HE2 PHE 84 HE2 PHE 84 23.550 6.703 -4.975 686 HZ PHE 84 HZ PHE 84 23.895 9.140 -4.878 687 H VAL 85 H VAL 85 20.234 6.586 0.910 688 HA VAL 85 HA VAL 85 20.446 4.209 2.635 689 HB VAL 85 HB VAL 85 18.048 6.015 2.321 690 HG11 VAL 85 1HG1 VAL 85 17.045 4.820 4.024 691 HG12 VAL 85 2HG1 VAL 85 17.895 3.550 3.141 692 HG13 VAL 85 3HG1 VAL 85 18.579 4.198 4.632 693 HG21 VAL 85 3HG2 VAL 85 19.976 7.225 3.277 694 HG22 VAL 85 1HG2 VAL 85 18.658 7.024 4.433 695 HG23 VAL 85 2HG2 VAL 85 20.090 6.001 4.542 696 H ILE 86 H ILE 86 19.665 2.312 1.954 697 HA ILE 86 HA ILE 86 18.198 2.276 -0.598 698 HB ILE 86 HB ILE 86 19.668 -0.059 0.607 699 HG12 ILE 86 2HG1 ILE 86 20.730 1.879 -1.459 700 HG13 ILE 86 3HG1 ILE 86 21.205 1.878 0.236 701 HG21 ILE 86 1HG2 ILE 86 19.728 -0.394 -2.069 702 HG22 ILE 86 2HG2 ILE 86 18.458 -1.032 -1.025 703 HG23 ILE 86 3HG2 ILE 86 18.208 0.484 -1.890 704 HD11 ILE 86 3HD1 ILE 86 22.877 0.580 -0.468 705 HD12 ILE 86 1HD1 ILE 86 21.670 -0.705 -0.452 706 HD13 ILE 86 2HD1 ILE 86 22.041 0.138 -1.956 707 H GLU 87 H GLU 87 16.125 1.748 -0.518 708 HA GLU 87 HA GLU 87 15.150 0.218 1.800 709 HB2 GLU 87 2HB GLU 87 12.902 1.207 1.157 710 HB3 GLU 87 3HB GLU 87 14.090 2.332 1.801 711 HG2 GLU 87 2HG GLU 87 14.086 3.548 -0.054 712 HG3 GLU 87 3HG GLU 87 14.250 2.125 -1.082 713 H LYS 88 H LYS 88 13.238 -1.175 1.363 714 HA LYS 88 HA LYS 88 12.676 -2.062 -1.279 715 HB2 LYS 88 2HB LYS 88 14.961 -3.041 -0.893 716 HB3 LYS 88 3HB LYS 88 14.269 -3.989 0.417 717 HG2 LYS 88 2HG LYS 88 12.904 -4.185 -2.190 718 HG3 LYS 88 3HG LYS 88 14.520 -4.888 -2.093 719 HD2 LYS 88 2HD LYS 88 13.698 -6.663 -1.039 720 HD3 LYS 88 3HD LYS 88 13.071 -5.627 0.245 721 HE2 LYS 88 2HE LYS 88 11.000 -5.344 -0.880 722 HE3 LYS 88 3HE LYS 88 11.630 -6.062 -2.362 723 HZ1 LYS 88 3HZ LYS 88 10.352 -7.341 -0.227 724 HZ2 LYS 88 1HZ LYS 88 11.943 -7.914 -0.289 725 HZ3 LYS 88 2HZ LYS 88 10.949 -8.029 -1.652 726 H GLY 89 H GLY 89 10.595 -2.564 -1.143 727 HA2 GLY 89 2HA GLY 89 8.695 -3.696 -0.453 728 HA3 GLY 89 3HA GLY 89 9.652 -4.468 0.803 729 H GLY 90 H GLY 90 10.264 -1.255 1.077 730 HA2 GLY 90 2HA GLY 90 9.059 0.499 2.152 731 HA3 GLY 90 3HA GLY 90 7.899 -0.690 2.724 732 H GLU 91 H GLU 91 11.411 -0.938 2.937 733 HA GLU 91 HA GLU 91 11.528 -0.118 5.675 734 HB2 GLU 91 2HB GLU 91 12.329 -2.435 6.441 735 HB3 GLU 91 3HB GLU 91 10.598 -2.188 6.254 736 HG2 GLU 91 2HG GLU 91 10.645 -3.302 4.102 737 HG3 GLU 91 3HG GLU 91 12.392 -3.502 4.226 738 HA PRO 92 HA PRO 92 15.768 0.407 4.677 739 HB2 PRO 92 2HB PRO 92 16.946 0.087 7.102 740 HB3 PRO 92 3HB PRO 92 15.988 1.511 6.680 741 HG2 PRO 92 2HG PRO 92 15.193 -0.909 8.252 742 HG3 PRO 92 3HG PRO 92 14.843 0.799 8.575 743 HD2 PRO 92 2HD PRO 92 13.033 -0.871 7.449 744 HD3 PRO 92 3HD PRO 92 13.106 0.859 7.061 745 H LEU 93 H LEU 93 17.137 -0.915 3.672 746 HA LEU 93 HA LEU 93 17.480 -3.647 4.715 747 HB2 LEU 93 2HB LEU 93 16.436 -3.281 2.419 748 HB3 LEU 93 3HB LEU 93 18.039 -2.764 1.899 749 HG LEU 93 HG LEU 93 18.925 -4.983 2.469 750 HD11 LEU 93 1HD1 LEU 93 16.468 -6.426 2.634 751 HD12 LEU 93 2HD1 LEU 93 16.518 -5.213 3.912 752 HD13 LEU 93 3HD1 LEU 93 17.818 -6.395 3.768 753 HD21 LEU 93 3HD2 LEU 93 17.638 -4.284 0.242 754 HD22 LEU 93 1HD2 LEU 93 16.594 -5.610 0.754 755 HD23 LEU 93 2HD2 LEU 93 18.313 -5.896 0.483 756 H GLY 94 H GLY 94 19.168 -0.919 3.204 757 HA2 GLY 94 2HA GLY 94 21.588 -1.683 4.648 758 HA3 GLY 94 3HA GLY 94 21.700 -1.627 2.895 759 H GLU 95 H GLU 95 23.412 -0.036 4.001 760 HA GLU 95 HA GLU 95 22.592 2.573 3.219 761 HB2 GLU 95 2HB GLU 95 22.641 3.735 5.275 762 HB3 GLU 95 3HB GLU 95 21.612 2.336 5.552 763 HG2 GLU 95 2HG GLU 95 24.507 2.557 6.345 764 HG3 GLU 95 3HG GLU 95 23.127 2.761 7.423 765 H VAL 96 H VAL 96 24.329 3.977 2.945 766 HA VAL 96 HA VAL 96 26.985 2.923 3.647 767 HB VAL 96 HB VAL 96 26.253 4.148 0.983 768 HG11 VAL 96 1HG1 VAL 96 28.456 4.780 1.336 769 HG12 VAL 96 2HG1 VAL 96 28.847 3.298 2.211 770 HG13 VAL 96 3HG1 VAL 96 28.626 3.258 0.462 771 HG21 VAL 96 3HG2 VAL 96 26.907 1.307 1.752 772 HG22 VAL 96 1HG2 VAL 96 25.380 1.915 1.113 773 HG23 VAL 96 2HG2 VAL 96 26.818 1.895 0.092 774 H LYS 97 H LYS 97 28.590 4.458 4.034 775 HA LYS 97 HA LYS 97 27.718 7.267 4.091 776 HB2 LYS 97 2HB LYS 97 29.417 6.068 6.268 777 HB3 LYS 97 3HB LYS 97 28.558 7.603 6.273 778 HG2 LYS 97 2HG LYS 97 26.947 6.576 7.396 779 HG3 LYS 97 3HG LYS 97 26.566 5.711 5.905 780 HD2 LYS 97 2HD LYS 97 27.703 3.811 6.563 781 HD3 LYS 97 3HD LYS 97 28.740 4.695 7.685 782 HE2 LYS 97 2HE LYS 97 27.039 3.250 8.792 783 HE3 LYS 97 3HE LYS 97 26.945 4.951 9.246 784 HZ1 LYS 97 3HZ LYS 97 24.878 3.425 8.361 785 HZ2 LYS 97 1HZ LYS 97 25.305 4.311 6.985 786 HZ3 LYS 97 2HZ LYS 97 24.901 5.115 8.417 787 H GLY 98 H GLY 98 28.943 8.064 2.466 788 HA2 GLY 98 2HA GLY 98 31.326 9.071 2.510 789 HA3 GLY 98 3HA GLY 98 31.804 7.382 2.415 790 HA PRO 99 HA PRO 99 30.826 9.368 -1.835 791 HB2 PRO 99 2HB PRO 99 33.337 10.049 -2.610 792 HB3 PRO 99 3HB PRO 99 32.260 11.161 -1.759 793 HG2 PRO 99 2HG PRO 99 34.499 9.494 -0.679 794 HG3 PRO 99 3HG PRO 99 34.083 11.179 -0.316 795 HD2 PRO 99 2HD PRO 99 33.424 9.131 1.327 796 HD3 PRO 99 3HD PRO 99 32.416 10.583 1.159 797 H ASP 100 H ASP 100 30.372 7.286 -2.531 798 HA ASP 100 HA ASP 100 32.608 5.892 -3.784 799 HB2 ASP 100 2HB ASP 100 31.974 3.727 -2.894 800 HB3 ASP 100 3HB ASP 100 32.293 4.833 -1.560 801 H ILE 101 H ILE 101 30.886 7.389 -5.175 802 HA ILE 101 HA ILE 101 28.490 6.250 -6.020 803 HB ILE 101 HB ILE 101 30.441 8.045 -7.446 804 HG12 ILE 101 2HG1 ILE 101 29.174 8.969 -5.531 805 HG13 ILE 101 3HG1 ILE 101 28.742 9.746 -7.050 806 HG21 ILE 101 1HG2 ILE 101 29.496 7.178 -9.324 807 HG22 ILE 101 2HG2 ILE 101 28.024 6.684 -8.489 808 HG23 ILE 101 3HG2 ILE 101 28.262 8.375 -8.930 809 HD11 ILE 101 3HD1 ILE 101 27.160 7.704 -5.518 810 HD12 ILE 101 1HD1 ILE 101 26.744 9.389 -5.829 811 HD13 ILE 101 2HD1 ILE 101 26.760 8.225 -7.155 812 H ASP 102 H ASP 102 31.780 5.479 -6.861 813 HA ASP 102 HA ASP 102 31.093 3.895 -9.161 814 HB2 ASP 102 2HB ASP 102 33.647 4.203 -7.578 815 HB3 ASP 102 3HB ASP 102 33.504 3.153 -8.985 816 H LYS 103 H LYS 103 31.971 3.259 -5.793 817 HA LYS 103 HA LYS 103 31.867 0.415 -6.068 818 HB2 LYS 103 2HB LYS 103 33.052 1.943 -4.269 819 HB3 LYS 103 3HB LYS 103 31.519 1.766 -3.425 820 HG2 LYS 103 2HG LYS 103 31.794 -0.714 -3.633 821 HG3 LYS 103 3HG LYS 103 33.422 -0.414 -4.246 822 HD2 LYS 103 2HD LYS 103 34.198 -0.164 -2.177 823 HD3 LYS 103 3HD LYS 103 33.003 1.091 -1.843 824 HE2 LYS 103 2HE LYS 103 31.661 -0.318 -0.717 825 HE3 LYS 103 3HE LYS 103 31.935 -1.641 -1.850 826 HZ1 LYS 103 3HZ LYS 103 34.228 -1.772 -0.751 827 HZ2 LYS 103 1HZ LYS 103 32.901 -2.379 0.105 828 HZ3 LYS 103 2HZ LYS 103 33.540 -0.864 0.500 829 H LEU 104 H LEU 104 29.525 2.864 -5.679 830 HA LEU 104 HA LEU 104 27.530 1.667 -4.190 831 HB2 LEU 104 2HB LEU 104 27.566 3.988 -5.179 832 HB3 LEU 104 3HB LEU 104 27.039 3.260 -6.695 833 HG LEU 104 HG LEU 104 25.128 2.322 -5.052 834 HD11 LEU 104 1HD1 LEU 104 25.500 5.093 -3.997 835 HD12 LEU 104 2HD1 LEU 104 26.297 3.729 -3.215 836 HD13 LEU 104 3HD1 LEU 104 24.539 3.765 -3.348 837 HD21 LEU 104 3HD2 LEU 104 24.367 4.970 -5.817 838 HD22 LEU 104 1HD2 LEU 104 23.910 3.427 -6.540 839 HD23 LEU 104 2HD2 LEU 104 25.368 4.259 -7.083 840 H ARG 105 H ARG 105 28.394 1.152 -7.567 841 HA ARG 105 HA ARG 105 26.204 -0.334 -8.405 842 HB2 ARG 105 2HB ARG 105 27.618 -1.207 -10.147 843 HB3 ARG 105 3HB ARG 105 28.052 0.474 -9.866 844 HG2 ARG 105 2HG ARG 105 29.886 -0.459 -8.337 845 HG3 ARG 105 3HG ARG 105 29.564 -2.001 -9.131 846 HD2 ARG 105 2HD ARG 105 29.790 -0.516 -11.307 847 HD3 ARG 105 3HD ARG 105 30.745 0.499 -10.227 848 HE ARG 105 HE ARG 105 31.545 -1.961 -11.384 849 HH11 ARG 105 1HH1 ARG 105 31.800 -0.079 -8.466 850 HH12 ARG 105 2HH1 ARG 105 33.322 -0.765 -8.002 851 HH21 ARG 105 2HH2 ARG 105 34.316 -2.353 -9.321 852 HH22 ARG 105 1HH2 ARG 105 33.548 -2.872 -10.783 853 H GLU 106 H GLU 106 28.998 -1.299 -6.510 854 HA GLU 106 HA GLU 106 28.170 -4.090 -6.525 855 HB2 GLU 106 2HB GLU 106 30.423 -2.964 -4.887 856 HB3 GLU 106 3HB GLU 106 30.232 -4.592 -5.521 857 HG2 GLU 106 2HG GLU 106 30.534 -3.686 -7.806 858 HG3 GLU 106 3HG GLU 106 30.857 -2.106 -7.095 859 H THR 107 H THR 107 28.454 -1.384 -4.269 860 HA THR 107 HA THR 107 27.740 -2.744 -1.926 861 HB THR 107 HB THR 107 26.961 0.118 -2.418 862 HG1 THR 107 HG1 THR 107 29.541 -1.008 -2.214 863 HG21 THR 107 3HG2 THR 107 27.507 -1.624 -0.092 864 HG22 THR 107 1HG2 THR 107 26.390 -0.270 -0.256 865 HG23 THR 107 2HG2 THR 107 28.106 0.031 0.014 866 H LEU 108 H LEU 108 25.811 -1.463 -4.538 867 HA LEU 108 HA LEU 108 23.321 -1.775 -3.091 868 HB2 LEU 108 2HB LEU 108 22.359 -0.584 -4.748 869 HB3 LEU 108 3HB LEU 108 24.027 -0.095 -5.036 870 HG LEU 108 HG LEU 108 23.966 -2.182 -6.671 871 HD11 LEU 108 1HD1 LEU 108 21.110 -1.462 -6.207 872 HD12 LEU 108 2HD1 LEU 108 21.848 -3.045 -6.443 873 HD13 LEU 108 3HD1 LEU 108 21.632 -1.961 -7.816 874 HD21 LEU 108 3HD2 LEU 108 22.588 0.003 -7.974 875 HD22 LEU 108 1HD2 LEU 108 24.235 -0.588 -8.199 876 HD23 LEU 108 2HD2 LEU 108 23.884 0.580 -6.925 877 H ASP 109 H ASP 109 25.316 -3.617 -5.218 878 HA ASP 109 HA ASP 109 23.236 -5.450 -6.018 879 HB2 ASP 109 2HB ASP 109 24.875 -5.320 -7.651 880 HB3 ASP 109 3HB ASP 109 26.185 -5.243 -6.476 881 H GLU 110 H GLU 110 26.015 -5.516 -3.811 882 HA GLU 110 HA GLU 110 25.834 -8.145 -2.950 883 HB2 GLU 110 2HB GLU 110 26.594 -5.757 -1.260 884 HB3 GLU 110 3HB GLU 110 27.027 -7.432 -0.951 885 HG2 GLU 110 2HG GLU 110 27.823 -6.414 -3.584 886 HG3 GLU 110 3HG GLU 110 28.609 -5.638 -2.210 887 H LEU 111 H LEU 111 23.768 -5.466 -2.281 888 HA LEU 111 HA LEU 111 22.461 -6.891 -0.080 889 HB2 LEU 111 2HB LEU 111 22.814 -4.680 0.539 890 HB3 LEU 111 3HB LEU 111 22.408 -4.066 -1.062 891 HG LEU 111 HG LEU 111 20.243 -5.373 0.494 892 HD11 LEU 111 1HD1 LEU 111 21.712 -2.979 1.377 893 HD12 LEU 111 2HD1 LEU 111 20.712 -4.105 2.294 894 HD13 LEU 111 3HD1 LEU 111 19.955 -2.832 1.337 895 HD21 LEU 111 3HD2 LEU 111 19.163 -3.185 -0.519 896 HD22 LEU 111 1HD2 LEU 111 19.427 -4.625 -1.503 897 HD23 LEU 111 2HD2 LEU 111 20.562 -3.277 -1.591 898 H LEU 112 H LEU 112 21.632 -5.264 -3.138 899 HA LEU 112 HA LEU 112 18.943 -6.023 -3.223 900 HB2 LEU 112 2HB LEU 112 20.131 -4.326 -4.668 901 HB3 LEU 112 3HB LEU 112 20.726 -5.682 -5.623 902 HG LEU 112 HG LEU 112 18.466 -6.261 -6.271 903 HD11 LEU 112 1HD1 LEU 112 16.580 -4.793 -5.643 904 HD12 LEU 112 2HD1 LEU 112 17.644 -3.954 -4.514 905 HD13 LEU 112 3HD1 LEU 112 17.269 -5.660 -4.270 906 HD21 LEU 112 3HD2 LEU 112 17.906 -3.765 -7.171 907 HD22 LEU 112 1HD2 LEU 112 19.085 -4.851 -7.907 908 HD23 LEU 112 2HD2 LEU 112 19.618 -3.607 -6.776 909 H ALA 113 H ALA 113 21.796 -7.856 -3.731 910 HA ALA 113 HA ALA 113 21.028 -9.821 -5.508 911 HB1 ALA 113 1HB ALA 113 22.474 -11.295 -3.803 912 HB2 ALA 113 2HB ALA 113 23.191 -10.140 -4.927 913 HB3 ALA 113 3HB ALA 113 22.922 -9.683 -3.245 914 H ARG 114 H ARG 114 20.026 -9.336 -2.201 915 HA ARG 114 HA ARG 114 18.950 -11.906 -1.729 916 HB2 ARG 114 2HB ARG 114 18.514 -9.199 -0.506 917 HB3 ARG 114 3HB ARG 114 17.513 -10.564 -0.028 918 HG2 ARG 114 2HG ARG 114 19.468 -11.788 0.699 919 HG3 ARG 114 3HG ARG 114 20.518 -10.484 0.140 920 HD2 ARG 114 2HD ARG 114 19.465 -8.960 1.746 921 HD3 ARG 114 3HD ARG 114 18.431 -10.273 2.308 922 HE ARG 114 HE ARG 114 21.201 -10.934 2.489 923 HH11 ARG 114 1HH1 ARG 114 18.622 -9.196 4.053 924 HH12 ARG 114 2HH1 ARG 114 19.329 -9.306 5.631 925 HH21 ARG 114 2HH2 ARG 114 21.332 -10.379 5.918 926 HH22 ARG 114 1HH2 ARG 114 22.142 -11.085 4.561 927 H LEU 115 H LEU 115 17.345 -8.852 -2.636 928 HA LEU 115 HA LEU 115 14.765 -9.791 -2.907 929 HB2 LEU 115 2HB LEU 115 15.885 -7.408 -3.230 930 HB3 LEU 115 3HB LEU 115 15.758 -7.855 -4.930 931 HG LEU 115 HG LEU 115 13.499 -7.553 -2.955 932 HD11 LEU 115 1HD1 LEU 115 14.608 -5.509 -3.998 933 HD12 LEU 115 2HD1 LEU 115 12.862 -5.664 -4.185 934 HD13 LEU 115 3HD1 LEU 115 13.932 -6.068 -5.528 935 HD21 LEU 115 3HD2 LEU 115 12.024 -8.061 -4.850 936 HD22 LEU 115 1HD2 LEU 115 13.047 -9.433 -4.423 937 HD23 LEU 115 2HD2 LEU 115 13.435 -8.449 -5.835 938 H GLU 116 H GLU 116 17.049 -9.340 -5.616 939 HA GLU 116 HA GLU 116 15.459 -10.982 -7.354 940 HB2 GLU 116 2HB GLU 116 17.247 -8.988 -7.793 941 HB3 GLU 116 3HB GLU 116 18.249 -10.394 -8.121 942 HG2 GLU 116 2HG GLU 116 15.799 -10.829 -9.432 943 HG3 GLU 116 3HG GLU 116 16.269 -9.163 -9.766 Start of MODEL 3 1 H1 MET 1 H MET 1 -0.602 6.309 -1.886 2 HA MET 1 HA MET 1 0.094 7.060 -4.171 3 HB2 MET 1 2HB MET 1 1.525 5.461 -3.041 4 HB3 MET 1 3HB MET 1 0.471 4.134 -3.513 5 HG2 MET 1 2HG MET 1 1.326 4.013 -5.585 6 HG3 MET 1 3HG MET 1 1.515 5.759 -5.725 7 HE1 MET 1 3HE MET 1 3.362 6.596 -6.250 8 HE2 MET 1 1HE MET 1 4.975 6.366 -5.574 9 HE3 MET 1 2HE MET 1 4.401 5.310 -6.865 10 H ALA 2 H ALA 2 -0.225 6.904 -6.361 11 HA ALA 2 HA ALA 2 -2.736 6.235 -7.326 12 HB1 ALA 2 1HB ALA 2 -0.154 6.974 -8.506 13 HB2 ALA 2 2HB ALA 2 -1.222 6.059 -9.571 14 HB3 ALA 2 3HB ALA 2 -1.777 7.571 -8.853 15 H ARG 3 H ARG 3 -3.004 4.655 -9.273 16 HA ARG 3 HA ARG 3 -3.024 2.064 -8.324 17 HB2 ARG 3 2HB ARG 3 -3.302 3.308 -11.007 18 HB3 ARG 3 3HB ARG 3 -3.011 1.575 -10.960 19 HG2 ARG 3 2HG ARG 3 -5.323 1.744 -11.002 20 HG3 ARG 3 3HG ARG 3 -4.960 1.496 -9.293 21 HD2 ARG 3 2HD ARG 3 -4.899 4.296 -9.911 22 HD3 ARG 3 3HD ARG 3 -6.419 3.594 -10.463 23 HE ARG 3 HE ARG 3 -5.886 2.701 -7.854 24 HH11 ARG 3 1HH1 ARG 3 -6.770 5.595 -9.575 25 HH12 ARG 3 2HH1 ARG 3 -7.618 6.290 -8.233 26 HH21 ARG 3 2HH2 ARG 3 -7.748 5.158 -6.246 27 HH22 ARG 3 1HH2 ARG 3 -7.000 3.605 -6.081 28 HA PRO 4 HA PRO 4 0.979 0.343 -8.825 29 HB2 PRO 4 2HB PRO 4 0.436 -2.157 -9.733 30 HB3 PRO 4 3HB PRO 4 0.116 -1.649 -8.071 31 HG2 PRO 4 2HG PRO 4 -1.772 -1.857 -10.385 32 HG3 PRO 4 3HG PRO 4 -2.012 -2.348 -8.698 33 HD2 PRO 4 2HD PRO 4 -3.007 -0.037 -9.698 34 HD3 PRO 4 3HD PRO 4 -2.486 -0.200 -8.009 35 H SER 5 H SER 5 1.699 1.729 -10.535 36 HA SER 5 HA SER 5 1.687 0.430 -13.181 37 HB2 SER 5 2HB SER 5 2.033 3.396 -12.760 38 HB3 SER 5 3HB SER 5 1.637 2.541 -14.251 39 HG SER 5 HG SER 5 -0.024 3.550 -12.431 40 H ASN 6 H ASN 6 3.562 0.159 -10.895 41 HA ASN 6 HA ASN 6 5.799 0.029 -10.504 42 HB2 ASN 6 2HB ASN 6 5.422 -0.385 -13.342 43 HB3 ASN 6 3HB ASN 6 6.981 0.370 -13.026 44 HD21 ASN 6 2HD2 ASN 6 8.391 -2.675 -12.276 45 HD22 ASN 6 1HD2 ASN 6 8.485 -1.129 -13.042 46 H VAL 7 H VAL 7 8.019 1.189 -11.237 47 HA VAL 7 HA VAL 7 7.471 4.083 -11.330 48 HB VAL 7 HB VAL 7 9.327 4.469 -9.790 49 HG11 VAL 7 1HG1 VAL 7 7.031 2.759 -8.959 50 HG12 VAL 7 2HG1 VAL 7 8.264 3.182 -7.770 51 HG13 VAL 7 3HG1 VAL 7 7.363 4.453 -8.598 52 HG21 VAL 7 3HG2 VAL 7 9.906 2.150 -8.520 53 HG22 VAL 7 1HG2 VAL 7 9.718 1.581 -10.178 54 HG23 VAL 7 2HG2 VAL 7 10.889 2.846 -9.808 55 H LYS 8 H LYS 8 9.804 5.208 -11.593 56 HA LYS 8 HA LYS 8 11.187 3.827 -13.796 57 HB2 LYS 8 2HB LYS 8 11.524 6.212 -14.723 58 HB3 LYS 8 3HB LYS 8 9.959 5.443 -14.949 59 HG2 LYS 8 2HG LYS 8 10.257 7.063 -12.506 60 HG3 LYS 8 3HG LYS 8 10.276 7.945 -14.035 61 HD2 LYS 8 2HD LYS 8 8.179 6.428 -14.541 62 HD3 LYS 8 3HD LYS 8 8.093 6.353 -12.779 63 HE2 LYS 8 2HE LYS 8 8.534 9.044 -13.842 64 HE3 LYS 8 3HE LYS 8 7.005 8.320 -14.340 65 HZ1 LYS 8 3HZ LYS 8 7.967 8.725 -11.562 66 HZ2 LYS 8 1HZ LYS 8 6.579 7.843 -11.961 67 HZ3 LYS 8 2HZ LYS 8 6.661 9.495 -12.313 68 HA PRO 9 HA PRO 9 14.976 4.726 -11.773 69 HB2 PRO 9 2HB PRO 9 16.634 5.185 -13.873 70 HB3 PRO 9 3HB PRO 9 16.028 3.577 -13.462 71 HG2 PRO 9 2HG PRO 9 15.056 5.492 -15.548 72 HG3 PRO 9 3HG PRO 9 15.292 3.738 -15.662 73 HD2 PRO 9 2HD PRO 9 12.857 4.859 -15.279 74 HD3 PRO 9 3HD PRO 9 13.295 3.274 -14.609 75 H SER 10 H SER 10 13.492 7.077 -13.792 76 HA SER 10 HA SER 10 15.264 9.193 -13.764 77 HB2 SER 10 2HB SER 10 12.336 8.903 -13.976 78 HB3 SER 10 3HB SER 10 12.888 10.489 -13.437 79 HG SER 10 HG SER 10 13.804 9.140 -15.761 80 HA PRO 11 HA PRO 11 15.649 10.665 -9.651 81 HB2 PRO 11 2HB PRO 11 15.619 13.359 -9.986 82 HB3 PRO 11 3HB PRO 11 16.981 12.345 -10.477 83 HG2 PRO 11 2HG PRO 11 14.759 13.467 -12.140 84 HG3 PRO 11 3HG PRO 11 16.493 13.376 -12.503 85 HD2 PRO 11 2HD PRO 11 14.697 11.623 -13.520 86 HD3 PRO 11 3HD PRO 11 16.371 11.165 -13.144 87 H HIS 12 H HIS 12 14.187 10.628 -8.074 88 HA HIS 12 HA HIS 12 11.566 11.871 -8.532 89 HB2 HIS 12 2HB HIS 12 12.494 9.489 -7.071 90 HB3 HIS 12 3HB HIS 12 11.287 10.446 -6.216 91 HD1 HIS 12 HD1 HIS 12 11.553 7.778 -8.577 92 HD2 HIS 12 HD2 HIS 12 8.922 10.942 -8.007 93 HE1 HIS 12 HE1 HIS 12 9.467 7.152 -9.833 94 H VAL 13 H VAL 13 10.961 13.624 -7.434 95 HA VAL 13 HA VAL 13 12.604 14.447 -5.127 96 HB VAL 13 HB VAL 13 11.151 16.225 -7.092 97 HG11 VAL 13 1HG1 VAL 13 11.097 17.451 -5.143 98 HG12 VAL 13 2HG1 VAL 13 12.602 16.756 -4.537 99 HG13 VAL 13 3HG1 VAL 13 12.641 17.958 -5.828 100 HG21 VAL 13 3HG2 VAL 13 13.672 16.960 -7.385 101 HG22 VAL 13 1HG2 VAL 13 13.968 15.302 -6.861 102 HG23 VAL 13 2HG2 VAL 13 12.995 15.612 -8.299 103 H ILE 14 H ILE 14 11.587 15.226 -3.306 104 HA ILE 14 HA ILE 14 8.652 14.953 -3.259 105 HB ILE 14 HB ILE 14 9.118 14.563 -0.711 106 HG12 ILE 14 2HG1 ILE 14 11.210 13.326 -0.313 107 HG13 ILE 14 3HG1 ILE 14 11.708 13.635 -1.972 108 HG21 ILE 14 1HG2 ILE 14 8.255 12.987 -2.608 109 HG22 ILE 14 2HG2 ILE 14 9.841 12.239 -2.434 110 HG23 ILE 14 3HG2 ILE 14 8.748 12.318 -1.053 111 HD11 ILE 14 3HD1 ILE 14 12.555 15.109 0.039 112 HD12 ILE 14 1HD1 ILE 14 12.243 15.801 -1.552 113 HD13 ILE 14 2HD1 ILE 14 11.045 15.967 -0.268 114 H LYS 15 H LYS 15 7.805 16.093 -1.131 115 HA LYS 15 HA LYS 15 9.181 18.509 -0.408 116 HB2 LYS 15 2HB LYS 15 7.497 20.064 -1.269 117 HB3 LYS 15 3HB LYS 15 8.271 19.181 -2.579 118 HG2 LYS 15 2HG LYS 15 5.796 17.988 -1.520 119 HG3 LYS 15 3HG LYS 15 5.616 19.528 -2.364 120 HD2 LYS 15 2HD LYS 15 7.059 18.459 -4.201 121 HD3 LYS 15 3HD LYS 15 6.698 16.927 -3.403 122 HE2 LYS 15 2HE LYS 15 4.226 18.056 -3.571 123 HE3 LYS 15 3HE LYS 15 4.987 18.657 -5.043 124 HZ1 LYS 15 3HZ LYS 15 4.985 16.632 -5.965 125 HZ2 LYS 15 1HZ LYS 15 3.795 16.267 -4.819 126 HZ3 LYS 15 2HZ LYS 15 5.407 15.845 -4.528 127 H SER 16 H SER 16 8.116 16.244 0.972 128 HA SER 16 HA SER 16 6.779 17.539 3.088 129 HB2 SER 16 2HB SER 16 5.085 16.406 0.998 130 HB3 SER 16 3HB SER 16 4.742 15.724 2.589 131 HG SER 16 HG SER 16 4.485 18.357 1.679 132 H LEU 17 H LEU 17 6.246 16.065 4.855 133 HA LEU 17 HA LEU 17 8.204 14.032 5.140 134 HB2 LEU 17 2HB LEU 17 6.824 15.537 6.875 135 HB3 LEU 17 3HB LEU 17 5.872 14.057 6.960 136 HG LEU 17 HG LEU 17 7.880 12.812 7.621 137 HD11 LEU 17 1HD1 LEU 17 9.518 15.092 8.298 138 HD12 LEU 17 2HD1 LEU 17 9.245 14.986 6.560 139 HD13 LEU 17 3HD1 LEU 17 9.941 13.617 7.427 140 HD21 LEU 17 3HD2 LEU 17 8.160 13.855 9.857 141 HD22 LEU 17 1HD2 LEU 17 6.475 13.667 9.372 142 HD23 LEU 17 2HD2 LEU 17 7.247 15.250 9.279 143 H GLU 18 H GLU 18 4.645 13.880 4.971 144 HA GLU 18 HA GLU 18 4.326 11.141 5.073 145 HB2 GLU 18 2HB GLU 18 2.752 13.412 4.094 146 HB3 GLU 18 3HB GLU 18 2.382 11.898 3.282 147 HG2 GLU 18 2HG GLU 18 1.302 11.089 5.049 148 HG3 GLU 18 3HG GLU 18 2.564 11.605 6.166 149 H GLU 19 H GLU 19 4.902 13.172 2.218 150 HA GLU 19 HA GLU 19 4.701 11.284 0.224 151 HB2 GLU 19 2HB GLU 19 5.237 13.834 0.121 152 HB3 GLU 19 3HB GLU 19 6.914 13.307 0.160 153 HG2 GLU 19 2HG GLU 19 6.171 13.676 -2.116 154 HG3 GLU 19 3HG GLU 19 6.555 11.977 -1.848 155 H LEU 20 H LEU 20 7.350 11.844 2.461 156 HA LEU 20 HA LEU 20 9.244 10.176 1.172 157 HB2 LEU 20 2HB LEU 20 9.316 11.933 3.247 158 HB3 LEU 20 3HB LEU 20 9.422 10.391 4.094 159 HG LEU 20 HG LEU 20 11.360 9.867 2.495 160 HD11 LEU 20 1HD1 LEU 20 11.742 12.804 2.299 161 HD12 LEU 20 2HD1 LEU 20 10.647 12.031 1.154 162 HD13 LEU 20 3HD1 LEU 20 12.330 11.511 1.254 163 HD21 LEU 20 3HD2 LEU 20 11.841 12.121 4.426 164 HD22 LEU 20 1HD2 LEU 20 12.924 10.797 3.997 165 HD23 LEU 20 2HD2 LEU 20 11.474 10.477 4.950 166 H ARG 21 H ARG 21 7.480 9.594 4.221 167 HA ARG 21 HA ARG 21 8.083 6.890 4.439 168 HB2 ARG 21 2HB ARG 21 6.134 8.735 5.625 169 HB3 ARG 21 3HB ARG 21 5.594 7.062 5.585 170 HG2 ARG 21 2HG ARG 21 7.644 6.385 6.751 171 HG3 ARG 21 3HG ARG 21 8.146 8.076 6.820 172 HD2 ARG 21 2HD ARG 21 5.647 6.924 8.057 173 HD3 ARG 21 3HD ARG 21 7.124 7.345 8.923 174 HE ARG 21 HE ARG 21 6.345 9.632 7.598 175 HH11 ARG 21 1HH1 ARG 21 4.991 7.503 9.997 176 HH12 ARG 21 2HH1 ARG 21 4.056 8.746 10.761 177 HH21 ARG 21 2HH2 ARG 21 4.129 10.892 9.962 178 HH22 ARG 21 1HH2 ARG 21 5.119 11.277 8.595 179 H GLU 22 H GLU 22 5.794 8.502 2.407 180 HA GLU 22 HA GLU 22 4.195 6.184 1.852 181 HB2 GLU 22 2HB GLU 22 3.365 8.538 1.661 182 HB3 GLU 22 3HB GLU 22 4.406 8.743 0.259 183 HG2 GLU 22 2HG GLU 22 2.376 8.265 -0.705 184 HG3 GLU 22 3HG GLU 22 3.151 6.683 -0.672 185 H ALA 23 H ALA 23 6.658 8.009 0.043 186 HA ALA 23 HA ALA 23 6.705 6.397 -2.239 187 HB1 ALA 23 1HB ALA 23 8.059 8.044 -2.849 188 HB2 ALA 23 2HB ALA 23 8.238 8.565 -1.173 189 HB3 ALA 23 3HB ALA 23 9.323 7.344 -1.836 190 H THR 24 H THR 24 8.031 5.893 0.920 191 HA THR 24 HA THR 24 9.949 3.909 0.171 192 HB THR 24 HB THR 24 9.463 3.369 2.794 193 HG1 THR 24 HG1 THR 24 9.107 6.170 2.633 194 HG21 THR 24 3HG2 THR 24 11.300 5.026 3.258 195 HG22 THR 24 1HG2 THR 24 11.181 5.526 1.572 196 HG23 THR 24 2HG2 THR 24 11.646 3.872 1.971 197 H ALA 25 H ALA 25 6.555 3.916 0.759 198 HA ALA 25 HA ALA 25 6.177 1.242 1.549 199 HB1 ALA 25 1HB ALA 25 4.429 2.911 1.780 200 HB2 ALA 25 2HB ALA 25 4.315 3.061 0.026 201 HB3 ALA 25 3HB ALA 25 3.857 1.551 0.813 202 H SER 26 H SER 26 7.042 2.619 -1.467 203 HA SER 26 HA SER 26 5.975 0.888 -3.330 204 HB2 SER 26 2HB SER 26 7.723 1.556 -4.802 205 HB3 SER 26 3HB SER 26 7.430 2.937 -3.744 206 HG SER 26 HG SER 26 9.644 1.298 -3.951 207 H ASN 27 H ASN 27 6.647 -1.050 -4.274 208 HA ASN 27 HA ASN 27 8.154 -2.783 -2.471 209 HB2 ASN 27 2HB ASN 27 7.182 -4.627 -3.649 210 HB3 ASN 27 3HB ASN 27 5.897 -3.454 -3.371 211 HD21 ASN 27 2HD2 ASN 27 6.027 -4.785 -6.919 212 HD22 ASN 27 1HD2 ASN 27 6.201 -5.575 -5.393 213 H ARG 28 H ARG 28 9.699 -0.893 -3.832 214 HA ARG 28 HA ARG 28 11.309 -2.660 -5.541 215 HB2 ARG 28 2HB ARG 28 10.868 0.279 -6.085 216 HB3 ARG 28 3HB ARG 28 11.787 -0.852 -7.070 217 HG2 ARG 28 2HG ARG 28 9.222 -1.953 -6.824 218 HG3 ARG 28 3HG ARG 28 8.993 -0.232 -7.141 219 HD2 ARG 28 2HD ARG 28 9.220 -0.855 -9.293 220 HD3 ARG 28 3HD ARG 28 10.942 -0.806 -8.919 221 HE ARG 28 HE ARG 28 11.011 -3.079 -9.144 222 HH11 ARG 28 1HH1 ARG 28 7.700 -2.084 -8.740 223 HH12 ARG 28 2HH1 ARG 28 7.051 -3.660 -9.053 224 HH21 ARG 28 2HH2 ARG 28 8.457 -5.408 -9.517 225 HH22 ARG 28 1HH2 ARG 28 10.170 -5.159 -9.557 226 H ILE 29 H ILE 29 13.432 -1.034 -6.039 227 HA ILE 29 HA ILE 29 14.477 -0.504 -3.336 228 HB ILE 29 HB ILE 29 16.113 -1.173 -5.780 229 HG12 ILE 29 2HG1 ILE 29 16.336 -3.351 -4.168 230 HG13 ILE 29 3HG1 ILE 29 14.659 -2.902 -3.877 231 HG21 ILE 29 1HG2 ILE 29 17.613 -0.202 -4.367 232 HG22 ILE 29 2HG2 ILE 29 16.699 -0.631 -2.923 233 HG23 ILE 29 3HG2 ILE 29 17.669 -1.852 -3.746 234 HD11 ILE 29 3HD1 ILE 29 15.701 -3.149 -6.665 235 HD12 ILE 29 1HD1 ILE 29 15.206 -4.575 -5.752 236 HD13 ILE 29 2HD1 ILE 29 14.045 -3.286 -6.072 237 H SER 30 H SER 30 14.311 1.634 -3.010 238 HA SER 30 HA SER 30 15.174 3.447 -5.161 239 HB2 SER 30 2HB SER 30 13.353 3.859 -2.790 240 HB3 SER 30 3HB SER 30 13.994 5.204 -3.733 241 HG SER 30 HG SER 30 12.801 3.124 -5.143 242 H VAL 31 H VAL 31 16.705 5.028 -4.781 243 HA VAL 31 HA VAL 31 18.392 4.568 -2.428 244 HB VAL 31 HB VAL 31 19.021 6.092 -4.960 245 HG11 VAL 31 1HG1 VAL 31 20.851 5.205 -2.733 246 HG12 VAL 31 2HG1 VAL 31 21.311 6.102 -4.181 247 HG13 VAL 31 3HG1 VAL 31 20.269 6.852 -2.971 248 HG21 VAL 31 3HG2 VAL 31 20.249 4.205 -5.693 249 HG22 VAL 31 1HG2 VAL 31 20.080 3.400 -4.132 250 HG23 VAL 31 2HG2 VAL 31 18.675 3.596 -5.180 251 H ILE 32 H ILE 32 17.400 5.764 -0.837 252 HA ILE 32 HA ILE 32 16.542 8.466 -1.260 253 HB ILE 32 HB ILE 32 17.023 7.122 1.396 254 HG12 ILE 32 2HG1 ILE 32 14.281 7.066 0.781 255 HG13 ILE 32 3HG1 ILE 32 15.100 6.492 -0.667 256 HG21 ILE 32 1HG2 ILE 32 14.809 9.016 1.027 257 HG22 ILE 32 2HG2 ILE 32 15.963 8.859 2.351 258 HG23 ILE 32 3HG2 ILE 32 16.423 9.711 0.877 259 HD11 ILE 32 3HD1 ILE 32 16.282 4.823 0.695 260 HD12 ILE 32 1HD1 ILE 32 15.382 5.371 2.109 261 HD13 ILE 32 2HD1 ILE 32 14.529 4.636 0.752 262 H VAL 33 H VAL 33 18.177 9.810 -1.848 263 HA VAL 33 HA VAL 33 20.592 9.885 -0.181 264 HB VAL 33 HB VAL 33 20.124 11.355 -2.774 265 HG11 VAL 33 1HG1 VAL 33 22.622 11.380 -2.804 266 HG12 VAL 33 2HG1 VAL 33 21.900 12.318 -1.495 267 HG13 VAL 33 3HG1 VAL 33 22.594 10.729 -1.165 268 HG21 VAL 33 3HG2 VAL 33 21.567 9.531 -3.756 269 HG22 VAL 33 1HG2 VAL 33 21.267 8.616 -2.278 270 HG23 VAL 33 2HG2 VAL 33 19.922 9.058 -3.330 271 H PHE 34 H PHE 34 20.921 11.471 1.234 272 HA PHE 34 HA PHE 34 18.954 13.588 1.465 273 HB2 PHE 34 2HB PHE 34 19.495 12.673 3.552 274 HB3 PHE 34 3HB PHE 34 21.216 12.616 3.185 275 HD1 PHE 34 HD1 PHE 34 22.179 13.828 4.921 276 HD2 PHE 34 HD2 PHE 34 18.872 15.465 2.800 277 HE1 PHE 34 HE1 PHE 34 22.497 15.972 6.085 278 HE2 PHE 34 HE2 PHE 34 19.185 17.612 3.960 279 HZ PHE 34 HZ PHE 34 21.001 17.868 5.605 280 H THR 35 H THR 35 19.190 15.562 0.666 281 HA THR 35 HA THR 35 21.821 16.774 0.446 282 HB THR 35 HB THR 35 20.765 17.436 -2.024 283 HG1 THR 35 HG1 THR 35 19.836 15.703 -2.866 284 HG21 THR 35 3HG2 THR 35 22.555 15.782 -2.850 285 HG22 THR 35 1HG2 THR 35 22.878 15.491 -1.142 286 HG23 THR 35 2HG2 THR 35 23.075 17.110 -1.813 287 H HIS 36 H HIS 36 21.771 19.031 0.290 288 HA HIS 36 HA HIS 36 19.185 20.211 1.001 289 HB2 HIS 36 2HB HIS 36 20.521 22.141 1.784 290 HB3 HIS 36 3HB HIS 36 20.992 20.638 2.572 291 HD1 HIS 36 HD1 HIS 36 23.323 19.656 1.950 292 HD2 HIS 36 HD2 HIS 36 22.481 23.335 0.212 293 HE1 HIS 36 HE1 HIS 36 25.520 20.500 1.067 294 HA PRO 37 HA PRO 37 18.754 22.192 -2.903 295 HB2 PRO 37 2HB PRO 37 17.180 24.278 -2.167 296 HB3 PRO 37 3HB PRO 37 16.584 22.618 -2.280 297 HG2 PRO 37 2HG PRO 37 17.442 24.162 0.136 298 HG3 PRO 37 3HG PRO 37 16.041 23.094 -0.070 299 HD2 PRO 37 2HD PRO 37 18.312 22.296 1.170 300 HD3 PRO 37 3HD PRO 37 17.295 21.184 0.232 301 H ASP 38 H ASP 38 18.876 24.485 -3.858 302 HA ASP 38 HA ASP 38 20.407 26.089 -4.468 303 HB2 ASP 38 2HB ASP 38 20.576 27.901 -2.760 304 HB3 ASP 38 3HB ASP 38 18.925 27.361 -3.050 305 H SER 39 H SER 39 22.210 24.657 -4.728 306 HA SER 39 HA SER 39 24.473 25.437 -3.177 307 HB2 SER 39 2HB SER 39 23.320 23.631 -1.764 308 HB3 SER 39 3HB SER 39 23.818 22.497 -3.019 309 HG SER 39 HG SER 39 26.001 23.390 -2.641 310 H LYS 40 H LYS 40 25.360 26.000 -5.142 311 HA LYS 40 HA LYS 40 25.480 24.200 -7.359 312 HB2 LYS 40 2HB LYS 40 25.507 26.640 -7.658 313 HB3 LYS 40 3HB LYS 40 27.049 26.728 -6.816 314 HG2 LYS 40 2HG LYS 40 28.182 25.632 -8.567 315 HG3 LYS 40 3HG LYS 40 26.672 25.122 -9.325 316 HD2 LYS 40 2HD LYS 40 27.243 28.034 -8.961 317 HD3 LYS 40 3HD LYS 40 27.999 27.152 -10.290 318 HE2 LYS 40 2HE LYS 40 26.111 27.171 -11.468 319 HE3 LYS 40 3HE LYS 40 25.188 26.535 -10.108 320 HZ1 LYS 40 3HZ LYS 40 25.374 29.222 -11.085 321 HZ2 LYS 40 1HZ LYS 40 25.648 29.122 -9.419 322 HZ3 LYS 40 2HZ LYS 40 24.212 28.519 -10.077 323 H ARG 41 H ARG 41 27.915 25.407 -5.055 324 HA ARG 41 HA ARG 41 30.093 23.957 -5.984 325 HB2 ARG 41 2HB ARG 41 29.343 25.180 -3.378 326 HB3 ARG 41 3HB ARG 41 30.683 24.041 -3.381 327 HG2 ARG 41 2HG ARG 41 31.175 25.729 -5.539 328 HG3 ARG 41 3HG ARG 41 30.601 26.785 -4.247 329 HD2 ARG 41 2HD ARG 41 32.754 26.738 -3.592 330 HD3 ARG 41 3HD ARG 41 32.298 25.195 -2.872 331 HE ARG 41 HE ARG 41 33.056 24.576 -5.424 332 HH11 ARG 41 1HH1 ARG 41 34.544 26.186 -2.720 333 HH12 ARG 41 2HH1 ARG 41 36.152 25.700 -3.148 334 HH21 ARG 41 2HH2 ARG 41 36.505 24.417 -5.013 335 HH22 ARG 41 1HH2 ARG 41 35.167 23.930 -5.998 336 H SER 42 H SER 42 27.346 22.919 -4.142 337 HA SER 42 HA SER 42 28.587 20.279 -3.744 338 HB2 SER 42 2HB SER 42 26.067 21.221 -2.385 339 HB3 SER 42 3HB SER 42 27.158 19.923 -1.898 340 HG SER 42 HG SER 42 27.500 21.753 -0.618 341 H LYS 43 H LYS 43 26.812 18.487 -3.699 342 HA LYS 43 HA LYS 43 25.338 17.208 -4.867 343 HB2 LYS 43 2HB LYS 43 24.178 19.847 -4.812 344 HB3 LYS 43 3HB LYS 43 23.781 19.045 -6.326 345 HG2 LYS 43 2HG LYS 43 23.310 17.070 -4.507 346 HG3 LYS 43 3HG LYS 43 22.839 18.517 -3.612 347 HD2 LYS 43 2HD LYS 43 21.897 18.330 -6.409 348 HD3 LYS 43 3HD LYS 43 21.181 17.197 -5.261 349 HE2 LYS 43 2HE LYS 43 19.915 18.799 -4.379 350 HE3 LYS 43 3HE LYS 43 21.318 19.835 -4.121 351 HZ1 LYS 43 3HZ LYS 43 20.608 19.767 -6.866 352 HZ2 LYS 43 1HZ LYS 43 20.724 21.096 -5.826 353 HZ3 LYS 43 2HZ LYS 43 19.277 20.226 -5.928 354 H GLU 44 H GLU 44 27.811 18.578 -6.124 355 HA GLU 44 HA GLU 44 27.216 18.671 -8.927 356 HB2 GLU 44 2HB GLU 44 29.652 18.905 -9.209 357 HB3 GLU 44 3HB GLU 44 29.015 20.033 -8.020 358 HG2 GLU 44 2HG GLU 44 29.766 18.514 -6.227 359 HG3 GLU 44 3HG GLU 44 30.482 17.468 -7.452 360 H ILE 45 H ILE 45 28.692 16.334 -6.730 361 HA ILE 45 HA ILE 45 29.486 14.478 -8.711 362 HB ILE 45 HB ILE 45 29.603 12.839 -6.857 363 HG12 ILE 45 2HG1 ILE 45 29.259 14.049 -4.528 364 HG13 ILE 45 3HG1 ILE 45 28.123 15.024 -5.453 365 HG21 ILE 45 1HG2 ILE 45 30.887 15.045 -5.509 366 HG22 ILE 45 2HG2 ILE 45 31.602 13.683 -6.371 367 HG23 ILE 45 3HG2 ILE 45 31.127 15.134 -7.254 368 HD11 ILE 45 3HD1 ILE 45 27.940 12.067 -5.652 369 HD12 ILE 45 1HD1 ILE 45 27.358 12.860 -4.189 370 HD13 ILE 45 2HD1 ILE 45 26.675 13.291 -5.757 371 H LYS 46 H LYS 46 26.432 15.357 -7.580 372 HA LYS 46 HA LYS 46 24.940 13.057 -7.492 373 HB2 LYS 46 2HB LYS 46 24.256 15.766 -8.627 374 HB3 LYS 46 3HB LYS 46 23.069 14.478 -8.471 375 HG2 LYS 46 2HG LYS 46 24.659 15.597 -6.174 376 HG3 LYS 46 3HG LYS 46 23.035 16.127 -6.618 377 HD2 LYS 46 2HD LYS 46 22.069 14.304 -5.726 378 HD3 LYS 46 3HD LYS 46 23.326 13.223 -6.332 379 HE2 LYS 46 2HE LYS 46 24.313 14.983 -4.250 380 HE3 LYS 46 3HE LYS 46 22.942 14.020 -3.701 381 HZ1 LYS 46 3HZ LYS 46 25.484 13.166 -3.728 382 HZ2 LYS 46 1HZ LYS 46 24.926 12.549 -5.202 383 HZ3 LYS 46 2HZ LYS 46 24.137 12.143 -3.762 384 H GLU 47 H GLU 47 25.927 14.868 -10.379 385 HA GLU 47 HA GLU 47 24.564 13.506 -12.335 386 HB2 GLU 47 2HB GLU 47 26.501 15.418 -12.328 387 HB3 GLU 47 3HB GLU 47 27.387 14.051 -12.989 388 HG2 GLU 47 2HG GLU 47 26.519 15.238 -14.827 389 HG3 GLU 47 3HG GLU 47 25.530 13.788 -14.659 390 H LYS 48 H LYS 48 27.425 12.499 -10.571 391 HA LYS 48 HA LYS 48 28.191 10.328 -12.163 392 HB2 LYS 48 2HB LYS 48 28.427 10.554 -9.157 393 HB3 LYS 48 3HB LYS 48 29.383 9.515 -10.206 394 HG2 LYS 48 2HG LYS 48 29.734 12.069 -11.242 395 HG3 LYS 48 3HG LYS 48 29.781 12.280 -9.490 396 HD2 LYS 48 2HD LYS 48 31.592 10.811 -9.251 397 HD3 LYS 48 3HD LYS 48 31.353 10.115 -10.855 398 HE2 LYS 48 2HE LYS 48 32.049 13.011 -10.504 399 HE3 LYS 48 3HE LYS 48 33.299 11.768 -10.501 400 HZ1 LYS 48 3HZ LYS 48 31.667 12.753 -12.699 401 HZ2 LYS 48 1HZ LYS 48 31.975 11.089 -12.688 402 HZ3 LYS 48 2HZ LYS 48 33.261 12.187 -12.702 403 H LEU 49 H LEU 49 25.862 10.548 -9.512 404 HA LEU 49 HA LEU 49 25.266 7.752 -9.501 405 HB2 LEU 49 2HB LEU 49 24.967 9.375 -7.583 406 HB3 LEU 49 3HB LEU 49 23.538 9.968 -8.427 407 HG LEU 49 HG LEU 49 22.544 7.711 -8.257 408 HD11 LEU 49 1HD1 LEU 49 24.603 6.413 -8.146 409 HD12 LEU 49 2HD1 LEU 49 23.561 6.065 -6.767 410 HD13 LEU 49 3HD1 LEU 49 24.968 7.109 -6.568 411 HD21 LEU 49 3HD2 LEU 49 23.354 8.534 -5.500 412 HD22 LEU 49 1HD2 LEU 49 21.782 7.999 -6.095 413 HD23 LEU 49 2HD2 LEU 49 22.374 9.612 -6.495 414 H LYS 50 H LYS 50 23.918 10.594 -11.056 415 HA LYS 50 HA LYS 50 21.503 9.460 -11.951 416 HB2 LYS 50 2HB LYS 50 22.977 11.903 -12.351 417 HB3 LYS 50 3HB LYS 50 22.342 11.329 -13.886 418 HG2 LYS 50 2HG LYS 50 20.098 11.254 -12.949 419 HG3 LYS 50 3HG LYS 50 20.724 11.788 -11.387 420 HD2 LYS 50 2HD LYS 50 21.591 13.842 -12.578 421 HD3 LYS 50 3HD LYS 50 20.645 13.325 -13.976 422 HE2 LYS 50 2HE LYS 50 18.828 13.164 -11.927 423 HE3 LYS 50 3HE LYS 50 19.785 14.575 -11.479 424 HZ1 LYS 50 3HZ LYS 50 18.056 15.375 -12.819 425 HZ2 LYS 50 1HZ LYS 50 18.232 14.138 -13.960 426 HZ3 LYS 50 2HZ LYS 50 19.407 15.348 -13.837 427 H LYS 51 H LYS 51 24.744 9.521 -13.339 428 HA LYS 51 HA LYS 51 24.012 8.375 -15.837 429 HB2 LYS 51 2HB LYS 51 26.277 9.554 -14.826 430 HB3 LYS 51 3HB LYS 51 26.752 7.863 -14.921 431 HG2 LYS 51 2HG LYS 51 26.459 7.787 -17.236 432 HG3 LYS 51 3HG LYS 51 25.489 9.262 -17.251 433 HD2 LYS 51 2HD LYS 51 28.340 9.318 -16.332 434 HD3 LYS 51 3HD LYS 51 27.949 9.365 -18.053 435 HE2 LYS 51 2HE LYS 51 26.255 11.246 -17.106 436 HE3 LYS 51 3HE LYS 51 27.587 11.411 -15.963 437 HZ1 LYS 51 3HZ LYS 51 28.572 11.213 -18.611 438 HZ2 LYS 51 1HZ LYS 51 28.782 12.459 -17.486 439 HZ3 LYS 51 2HZ LYS 51 27.436 12.462 -18.510 440 H LEU 52 H LEU 52 25.105 7.061 -12.758 441 HA LEU 52 HA LEU 52 25.694 4.461 -13.462 442 HB2 LEU 52 2HB LEU 52 26.030 5.354 -11.224 443 HB3 LEU 52 3HB LEU 52 24.287 5.441 -10.982 444 HG LEU 52 HG LEU 52 25.506 2.790 -11.578 445 HD11 LEU 52 1HD1 LEU 52 25.757 4.279 -8.981 446 HD12 LEU 52 2HD1 LEU 52 27.023 3.485 -9.917 447 HD13 LEU 52 3HD1 LEU 52 25.809 2.518 -9.079 448 HD21 LEU 52 3HD2 LEU 52 23.244 2.553 -11.373 449 HD22 LEU 52 1HD2 LEU 52 23.094 3.890 -10.233 450 HD23 LEU 52 2HD2 LEU 52 23.719 2.334 -9.688 451 H ALA 53 H ALA 53 22.587 6.017 -13.219 452 HA ALA 53 HA ALA 53 20.867 3.869 -12.983 453 HB1 ALA 53 1HB ALA 53 20.269 6.132 -14.854 454 HB2 ALA 53 2HB ALA 53 19.176 5.259 -13.780 455 HB3 ALA 53 3HB ALA 53 20.356 6.386 -13.111 456 H GLU 54 H GLU 54 22.816 4.831 -15.693 457 HA GLU 54 HA GLU 54 21.399 3.294 -17.651 458 HB2 GLU 54 2HB GLU 54 22.762 5.244 -18.271 459 HB3 GLU 54 3HB GLU 54 24.207 4.412 -17.714 460 HG2 GLU 54 2HG GLU 54 22.523 3.107 -19.786 461 HG3 GLU 54 3HG GLU 54 23.548 4.463 -20.253 462 H GLU 55 H GLU 55 24.538 2.871 -16.014 463 HA GLU 55 HA GLU 55 25.120 0.345 -17.067 464 HB2 GLU 55 2HB GLU 55 26.920 0.325 -15.650 465 HB3 GLU 55 3HB GLU 55 26.542 2.042 -15.622 466 HG2 GLU 55 2HG GLU 55 26.776 1.646 -13.395 467 HG3 GLU 55 3HG GLU 55 25.047 1.354 -13.579 468 H PHE 56 H PHE 56 22.957 1.318 -14.555 469 HA PHE 56 HA PHE 56 21.964 -1.383 -14.317 470 HB2 PHE 56 2HB PHE 56 23.885 -1.048 -12.614 471 HB3 PHE 56 3HB PHE 56 22.744 -0.023 -11.751 472 HD1 PHE 56 HD1 PHE 56 22.030 -1.138 -9.874 473 HD2 PHE 56 HD2 PHE 56 22.327 -3.261 -13.551 474 HE1 PHE 56 HE1 PHE 56 21.056 -3.126 -8.800 475 HE2 PHE 56 HE2 PHE 56 21.352 -5.252 -12.484 476 HZ PHE 56 HZ PHE 56 20.715 -5.187 -10.106 477 HA PRO 57 HA PRO 57 18.709 1.865 -14.127 478 HB2 PRO 57 2HB PRO 57 16.961 0.501 -15.694 479 HB3 PRO 57 3HB PRO 57 18.236 1.533 -16.351 480 HG2 PRO 57 2HG PRO 57 18.184 -1.443 -16.031 481 HG3 PRO 57 3HG PRO 57 18.758 -0.475 -17.401 482 HD2 PRO 57 2HD PRO 57 20.440 -1.556 -15.575 483 HD3 PRO 57 3HD PRO 57 20.780 -0.017 -16.394 484 H ASP 58 H ASP 58 19.052 -1.337 -13.097 485 HA ASP 58 HA ASP 58 16.480 -2.015 -12.243 486 HB2 ASP 58 2HB ASP 58 17.845 -3.824 -12.009 487 HB3 ASP 58 3HB ASP 58 19.237 -2.846 -11.550 488 H VAL 59 H VAL 59 18.696 0.318 -11.034 489 HA VAL 59 HA VAL 59 17.157 0.599 -8.545 490 HB VAL 59 HB VAL 59 19.772 1.954 -9.193 491 HG11 VAL 59 1HG1 VAL 59 18.606 3.032 -7.414 492 HG12 VAL 59 2HG1 VAL 59 18.238 1.489 -6.642 493 HG13 VAL 59 3HG1 VAL 59 19.901 2.075 -6.695 494 HG21 VAL 59 3HG2 VAL 59 20.872 0.204 -7.881 495 HG22 VAL 59 1HG2 VAL 59 19.335 -0.650 -7.731 496 HG23 VAL 59 2HG2 VAL 59 20.091 -0.463 -9.314 497 H ASP 60 H ASP 60 16.477 2.692 -7.863 498 HA ASP 60 HA ASP 60 16.158 4.611 -10.079 499 HB2 ASP 60 2HB ASP 60 13.981 5.195 -9.228 500 HB3 ASP 60 3HB ASP 60 14.047 3.445 -9.417 501 H ILE 61 H ILE 61 16.987 6.564 -9.752 502 HA ILE 61 HA ILE 61 18.274 7.222 -7.291 503 HB ILE 61 HB ILE 61 19.264 8.010 -9.329 504 HG12 ILE 61 2HG1 ILE 61 19.587 10.346 -8.803 505 HG13 ILE 61 3HG1 ILE 61 18.065 10.403 -7.921 506 HG21 ILE 61 1HG2 ILE 61 17.491 10.067 -10.163 507 HG22 ILE 61 2HG2 ILE 61 18.038 8.652 -11.060 508 HG23 ILE 61 3HG2 ILE 61 16.585 8.558 -10.065 509 HD11 ILE 61 3HD1 ILE 61 18.957 9.504 -6.067 510 HD12 ILE 61 1HD1 ILE 61 20.017 8.421 -6.969 511 HD13 ILE 61 2HD1 ILE 61 20.461 10.115 -6.756 512 H TYR 62 H TYR 62 17.456 8.211 -5.572 513 HA TYR 62 HA TYR 62 15.042 9.863 -5.907 514 HB2 TYR 62 2HB TYR 62 14.368 7.739 -4.929 515 HB3 TYR 62 3HB TYR 62 15.605 7.888 -3.685 516 HD1 TYR 62 HD1 TYR 62 13.094 10.323 -5.000 517 HD2 TYR 62 HD2 TYR 62 14.549 8.149 -1.644 518 HE1 TYR 62 HE1 TYR 62 11.487 11.495 -3.552 519 HE2 TYR 62 HE2 TYR 62 12.945 9.313 -0.188 520 HH TYR 62 HH TYR 62 10.659 10.485 -0.532 521 H LEU 63 H LEU 63 15.096 11.810 -4.954 522 HA LEU 63 HA LEU 63 17.386 12.400 -3.197 523 HB2 LEU 63 2HB LEU 63 15.885 14.473 -4.752 524 HB3 LEU 63 3HB LEU 63 17.509 14.559 -4.075 525 HG LEU 63 HG LEU 63 16.648 12.992 -6.505 526 HD11 LEU 63 1HD1 LEU 63 17.566 14.620 -7.789 527 HD12 LEU 63 2HD1 LEU 63 18.752 15.075 -6.567 528 HD13 LEU 63 3HD1 LEU 63 17.081 15.618 -6.418 529 HD21 LEU 63 3HD2 LEU 63 19.249 12.777 -6.646 530 HD22 LEU 63 1HD2 LEU 63 18.315 11.649 -5.663 531 HD23 LEU 63 2HD2 LEU 63 19.162 12.993 -4.897 532 H VAL 64 H VAL 64 17.065 13.764 -1.406 533 HA VAL 64 HA VAL 64 14.298 14.412 -0.699 534 HB VAL 64 HB VAL 64 16.143 12.998 1.226 535 HG11 VAL 64 1HG1 VAL 64 13.242 13.801 1.384 536 HG12 VAL 64 2HG1 VAL 64 14.058 12.766 2.558 537 HG13 VAL 64 3HG1 VAL 64 14.577 14.438 2.343 538 HG21 VAL 64 3HG2 VAL 64 14.514 11.095 0.963 539 HG22 VAL 64 1HG2 VAL 64 13.890 11.929 -0.460 540 HG23 VAL 64 2HG2 VAL 64 15.567 11.385 -0.422 541 H ASP 65 H ASP 65 14.067 16.245 0.500 542 HA ASP 65 HA ASP 65 16.549 17.675 1.189 543 HB2 ASP 65 2HB ASP 65 14.779 19.680 1.073 544 HB3 ASP 65 3HB ASP 65 15.656 19.111 -0.344 545 H THR 66 H THR 66 16.899 18.085 3.265 546 HA THR 66 HA THR 66 15.271 17.179 5.329 547 HB THR 66 HB THR 66 16.658 19.040 6.657 548 HG1 THR 66 HG1 THR 66 17.392 19.708 4.367 549 HG21 THR 66 3HG2 THR 66 18.580 17.376 6.670 550 HG22 THR 66 1HG2 THR 66 17.649 16.443 5.499 551 HG23 THR 66 2HG2 THR 66 16.994 16.743 7.109 552 H SER 67 H SER 67 15.071 20.071 3.483 553 HA SER 67 HA SER 67 13.903 21.887 5.188 554 HB2 SER 67 2HB SER 67 14.308 21.722 2.453 555 HB3 SER 67 3HB SER 67 12.553 21.809 2.597 556 HG SER 67 HG SER 67 13.548 23.883 2.492 557 H THR 68 H THR 68 12.539 18.986 3.829 558 HA THR 68 HA THR 68 9.905 19.653 4.947 559 HB THR 68 HB THR 68 9.142 17.608 3.663 560 HG1 THR 68 HG1 THR 68 10.577 16.511 2.555 561 HG21 THR 68 3HG2 THR 68 8.440 19.273 2.349 562 HG22 THR 68 1HG2 THR 68 9.896 19.015 1.389 563 HG23 THR 68 2HG2 THR 68 9.887 20.228 2.670 564 H ASN 69 H ASN 69 12.594 17.457 5.223 565 HA ASN 69 HA ASN 69 11.259 16.188 7.520 566 HB2 ASN 69 2HB ASN 69 12.444 14.089 6.976 567 HB3 ASN 69 3HB ASN 69 11.346 14.579 5.689 568 HD21 ASN 69 2HD2 ASN 69 15.204 13.980 4.930 569 HD22 ASN 69 1HD2 ASN 69 14.424 13.559 6.413 570 HA PRO 70 HA PRO 70 15.340 18.170 8.681 571 HB2 PRO 70 2HB PRO 70 14.340 19.668 10.712 572 HB3 PRO 70 3HB PRO 70 14.397 20.234 9.039 573 HG2 PRO 70 2HG PRO 70 12.102 19.067 10.566 574 HG3 PRO 70 3HG PRO 70 12.122 20.456 9.464 575 HD2 PRO 70 2HD PRO 70 11.245 18.008 8.708 576 HD3 PRO 70 3HD PRO 70 12.046 19.125 7.584 577 H GLU 71 H GLU 71 12.690 17.183 10.856 578 HA GLU 71 HA GLU 71 14.260 16.478 13.050 579 HB2 GLU 71 2HB GLU 71 11.527 15.766 12.104 580 HB3 GLU 71 3HB GLU 71 12.230 14.788 13.385 581 HG2 GLU 71 2HG GLU 71 12.313 16.567 14.872 582 HG3 GLU 71 3HG GLU 71 12.190 17.770 13.590 583 H ALA 72 H ALA 72 13.479 14.710 10.132 584 HA ALA 72 HA ALA 72 14.121 12.122 10.835 585 HB1 ALA 72 1HB ALA 72 13.818 13.603 8.403 586 HB2 ALA 72 2HB ALA 72 15.182 12.494 8.262 587 HB3 ALA 72 3HB ALA 72 13.587 11.879 8.696 588 H ARG 73 H ARG 73 16.318 14.695 9.748 589 HA ARG 73 HA ARG 73 18.683 13.279 9.632 590 HB2 ARG 73 2HB ARG 73 17.903 16.025 9.704 591 HB3 ARG 73 3HB ARG 73 19.265 15.808 10.795 592 HG2 ARG 73 2HG ARG 73 19.770 14.410 8.352 593 HG3 ARG 73 3HG ARG 73 19.310 16.077 8.002 594 HD2 ARG 73 2HD ARG 73 21.522 15.139 9.821 595 HD3 ARG 73 3HD ARG 73 21.696 15.965 8.273 596 HE ARG 73 HE ARG 73 20.205 17.652 9.856 597 HH11 ARG 73 1HH1 ARG 73 23.357 16.181 10.001 598 HH12 ARG 73 2HH1 ARG 73 24.063 17.476 10.909 599 HH21 ARG 73 2HH2 ARG 73 22.792 19.285 11.508 600 HH22 ARG 73 1HH2 ARG 73 21.123 19.363 11.052 601 H GLU 74 H GLU 74 17.681 15.266 12.425 602 HA GLU 74 HA GLU 74 19.610 14.259 14.185 603 HB2 GLU 74 2HB GLU 74 17.549 16.155 14.289 604 HB3 GLU 74 3HB GLU 74 17.183 15.006 15.568 605 HG2 GLU 74 2HG GLU 74 18.728 15.899 16.866 606 HG3 GLU 74 3HG GLU 74 19.966 15.620 15.642 607 H TRP 75 H TRP 75 16.533 13.001 13.195 608 HA TRP 75 HA TRP 75 15.858 11.319 15.274 609 HB2 TRP 75 2HB TRP 75 14.687 11.768 12.985 610 HB3 TRP 75 3HB TRP 75 15.614 10.374 12.436 611 HD1 TRP 75 HD1 TRP 75 12.960 11.277 15.102 612 HE1 TRP 75 HE1 TRP 75 11.598 9.156 15.620 613 HE3 TRP 75 HE3 TRP 75 15.574 7.920 12.267 614 HZ2 TRP 75 HZ2 TRP 75 11.628 6.422 14.921 615 HZ3 TRP 75 HZ3 TRP 75 14.843 5.571 12.248 616 HH2 TRP 75 HH2 TRP 75 12.910 4.839 13.548 617 H TYR 76 H TYR 76 18.352 10.935 12.846 618 HA TYR 76 HA TYR 76 19.246 8.501 14.242 619 HB2 TYR 76 2HB TYR 76 18.224 8.014 11.998 620 HB3 TYR 76 3HB TYR 76 19.505 8.974 11.267 621 HD1 TYR 76 HD1 TYR 76 20.887 7.517 10.113 622 HD2 TYR 76 HD2 TYR 76 19.591 6.458 14.024 623 HE1 TYR 76 HE1 TYR 76 22.341 5.534 10.051 624 HE2 TYR 76 HE2 TYR 76 21.043 4.473 13.974 625 HH TYR 76 HH TYR 76 23.503 4.047 11.847 626 H ASN 77 H ASN 77 19.927 11.601 13.786 627 HA ASN 77 HA ASN 77 21.794 12.908 13.792 628 HB2 ASN 77 2HB ASN 77 22.266 11.980 15.908 629 HB3 ASN 77 3HB ASN 77 22.725 10.425 15.219 630 HD21 ASN 77 2HD2 ASN 77 25.365 13.551 15.083 631 HD22 ASN 77 1HD2 ASN 77 23.662 13.843 15.121 632 H ILE 78 H ILE 78 22.091 13.059 11.556 633 HA ILE 78 HA ILE 78 24.000 11.185 10.347 634 HB ILE 78 HB ILE 78 22.082 13.158 9.118 635 HG12 ILE 78 2HG1 ILE 78 22.026 10.474 8.073 636 HG13 ILE 78 3HG1 ILE 78 21.885 10.435 9.827 637 HG21 ILE 78 1HG2 ILE 78 24.303 11.596 7.821 638 HG22 ILE 78 2HG2 ILE 78 22.945 12.274 6.925 639 HG23 ILE 78 3HG2 ILE 78 24.045 13.340 7.799 640 HD11 ILE 78 3HD1 ILE 78 19.798 11.189 9.770 641 HD12 ILE 78 1HD1 ILE 78 20.198 12.462 8.616 642 HD13 ILE 78 2HD1 ILE 78 19.840 10.832 8.043 643 H THR 79 H THR 79 25.971 11.810 9.649 644 HA THR 79 HA THR 79 26.731 14.611 10.151 645 HB THR 79 HB THR 79 29.105 13.644 10.181 646 HG1 THR 79 HG1 THR 79 29.077 11.367 10.824 647 HG21 THR 79 3HG2 THR 79 27.098 13.820 12.189 648 HG22 THR 79 1HG2 THR 79 28.845 13.978 12.367 649 HG23 THR 79 2HG2 THR 79 28.082 12.395 12.520 650 H SER 80 H SER 80 26.700 12.035 7.808 651 HA SER 80 HA SER 80 28.187 13.686 5.892 652 HB2 SER 80 2HB SER 80 27.514 11.208 4.716 653 HB3 SER 80 3HB SER 80 29.097 11.729 5.293 654 HG SER 80 HG SER 80 28.889 10.259 6.765 655 H VAL 81 H VAL 81 26.721 15.161 5.161 656 HA VAL 81 HA VAL 81 24.077 15.071 4.739 657 HB VAL 81 HB VAL 81 25.219 16.140 2.322 658 HG11 VAL 81 1HG1 VAL 81 24.126 17.541 4.758 659 HG12 VAL 81 2HG1 VAL 81 24.245 18.191 3.122 660 HG13 VAL 81 3HG1 VAL 81 23.139 16.861 3.465 661 HG21 VAL 81 3HG2 VAL 81 26.547 17.039 4.877 662 HG22 VAL 81 1HG2 VAL 81 27.320 16.102 3.599 663 HG23 VAL 81 2HG2 VAL 81 26.770 17.746 3.277 664 HA PRO 82 HA PRO 82 24.469 12.872 0.453 665 HB2 PRO 82 2HB PRO 82 26.888 11.819 -0.189 666 HB3 PRO 82 3HB PRO 82 26.422 13.475 -0.596 667 HG2 PRO 82 2HG PRO 82 28.102 12.483 1.675 668 HG3 PRO 82 3HG PRO 82 28.360 13.886 0.622 669 HD2 PRO 82 2HD PRO 82 27.329 14.107 3.116 670 HD3 PRO 82 3HD PRO 82 26.870 15.198 1.793 671 H THR 83 H THR 83 23.336 11.559 2.183 672 HA THR 83 HA THR 83 24.736 9.145 3.005 673 HB THR 83 HB THR 83 21.839 9.340 3.529 674 HG1 THR 83 HG1 THR 83 23.659 11.125 4.809 675 HG21 THR 83 3HG2 THR 83 23.649 9.141 5.792 676 HG22 THR 83 1HG2 THR 83 24.012 7.949 4.545 677 HG23 THR 83 2HG2 THR 83 22.397 8.025 5.250 678 H PHE 84 H PHE 84 23.634 7.024 2.718 679 HA PHE 84 HA PHE 84 22.086 6.857 0.231 680 HB2 PHE 84 2HB PHE 84 24.756 5.693 0.783 681 HB3 PHE 84 3HB PHE 84 23.600 4.642 -0.029 682 HD1 PHE 84 HD1 PHE 84 25.643 7.650 -0.302 683 HD2 PHE 84 HD2 PHE 84 22.798 5.161 -2.259 684 HE1 PHE 84 HE1 PHE 84 26.168 8.739 -2.445 685 HE2 PHE 84 HE2 PHE 84 23.320 6.246 -4.404 686 HZ PHE 84 HZ PHE 84 25.007 8.037 -4.500 687 H VAL 85 H VAL 85 20.210 6.015 0.865 688 HA VAL 85 HA VAL 85 20.256 3.765 2.769 689 HB VAL 85 HB VAL 85 17.878 5.535 2.222 690 HG11 VAL 85 1HG1 VAL 85 17.793 3.151 3.304 691 HG12 VAL 85 2HG1 VAL 85 18.362 4.008 4.738 692 HG13 VAL 85 3HG1 VAL 85 16.840 4.474 3.977 693 HG21 VAL 85 3HG2 VAL 85 19.697 6.918 3.089 694 HG22 VAL 85 1HG2 VAL 85 18.416 6.726 4.287 695 HG23 VAL 85 2HG2 VAL 85 19.911 5.802 4.438 696 H ILE 86 H ILE 86 19.726 1.849 1.971 697 HA ILE 86 HA ILE 86 18.258 1.739 -0.574 698 HB ILE 86 HB ILE 86 19.818 -0.516 0.674 699 HG12 ILE 86 2HG1 ILE 86 20.792 1.423 -1.433 700 HG13 ILE 86 3HG1 ILE 86 21.259 1.490 0.263 701 HG21 ILE 86 1HG2 ILE 86 19.914 -1.085 -1.872 702 HG22 ILE 86 2HG2 ILE 86 18.468 -1.456 -0.935 703 HG23 ILE 86 3HG2 ILE 86 18.509 -0.023 -1.961 704 HD11 ILE 86 3HD1 ILE 86 22.212 -0.236 -1.881 705 HD12 ILE 86 1HD1 ILE 86 22.988 0.241 -0.371 706 HD13 ILE 86 2HD1 ILE 86 21.836 -1.095 -0.387 707 H GLU 87 H GLU 87 16.194 1.176 -0.491 708 HA GLU 87 HA GLU 87 15.261 -0.425 1.797 709 HB2 GLU 87 2HB GLU 87 12.999 0.520 1.233 710 HB3 GLU 87 3HB GLU 87 14.174 1.697 1.802 711 HG2 GLU 87 2HG GLU 87 13.898 2.904 -0.025 712 HG3 GLU 87 3HG GLU 87 14.349 1.531 -1.034 713 H LYS 88 H LYS 88 13.202 -1.704 1.233 714 HA LYS 88 HA LYS 88 12.846 -2.619 -1.434 715 HB2 LYS 88 2HB LYS 88 15.061 -3.689 -0.654 716 HB3 LYS 88 3HB LYS 88 14.054 -4.689 0.385 717 HG2 LYS 88 2HG LYS 88 13.310 -4.546 -2.475 718 HG3 LYS 88 3HG LYS 88 14.782 -5.429 -2.062 719 HD2 LYS 88 2HD LYS 88 13.381 -7.157 -1.730 720 HD3 LYS 88 3HD LYS 88 13.051 -6.368 -0.186 721 HE2 LYS 88 2HE LYS 88 10.976 -5.754 -0.805 722 HE3 LYS 88 3HE LYS 88 11.476 -5.358 -2.448 723 HZ1 LYS 88 3HZ LYS 88 10.866 -8.053 -1.368 724 HZ2 LYS 88 1HZ LYS 88 11.539 -7.781 -2.896 725 HZ3 LYS 88 2HZ LYS 88 9.992 -7.199 -2.538 726 H GLY 89 H GLY 89 10.684 -2.648 -1.288 727 HA2 GLY 89 2HA GLY 89 8.682 -3.788 -0.826 728 HA3 GLY 89 3HA GLY 89 9.474 -4.589 0.522 729 H GLY 90 H GLY 90 10.473 -2.346 1.875 730 HA2 GLY 90 2HA GLY 90 9.098 -0.153 2.420 731 HA3 GLY 90 3HA GLY 90 7.978 -1.361 3.030 732 H GLU 91 H GLU 91 11.522 -1.005 3.185 733 HA GLU 91 HA GLU 91 11.683 -0.281 5.871 734 HB2 GLU 91 2HB GLU 91 11.127 -3.097 5.436 735 HB3 GLU 91 3HB GLU 91 12.648 -2.865 6.287 736 HG2 GLU 91 2HG GLU 91 11.639 -2.200 8.166 737 HG3 GLU 91 3HG GLU 91 10.449 -1.227 7.302 738 HA PRO 92 HA PRO 92 15.908 0.167 4.782 739 HB2 PRO 92 2HB PRO 92 17.142 -0.087 7.186 740 HB3 PRO 92 3HB PRO 92 16.183 1.330 6.744 741 HG2 PRO 92 2HG PRO 92 15.410 -1.036 8.407 742 HG3 PRO 92 3HG PRO 92 15.079 0.684 8.686 743 HD2 PRO 92 2HD PRO 92 13.232 -1.007 7.656 744 HD3 PRO 92 3HD PRO 92 13.307 0.710 7.213 745 H LEU 93 H LEU 93 17.270 -1.183 3.801 746 HA LEU 93 HA LEU 93 17.563 -3.909 4.871 747 HB2 LEU 93 2HB LEU 93 16.592 -3.563 2.560 748 HB3 LEU 93 3HB LEU 93 18.190 -3.000 2.073 749 HG LEU 93 HG LEU 93 19.128 -5.195 2.604 750 HD11 LEU 93 1HD1 LEU 93 16.769 -6.755 2.792 751 HD12 LEU 93 2HD1 LEU 93 16.699 -5.507 4.036 752 HD13 LEU 93 3HD1 LEU 93 18.082 -6.599 3.959 753 HD21 LEU 93 3HD2 LEU 93 16.781 -5.858 0.913 754 HD22 LEU 93 1HD2 LEU 93 18.499 -6.148 0.635 755 HD23 LEU 93 2HD2 LEU 93 17.827 -4.536 0.390 756 H GLY 94 H GLY 94 19.340 -1.193 3.448 757 HA2 GLY 94 2HA GLY 94 21.756 -2.195 4.803 758 HA3 GLY 94 3HA GLY 94 21.834 -1.721 3.112 759 H GLU 95 H GLU 95 23.538 -0.283 4.043 760 HA GLU 95 HA GLU 95 22.517 2.364 4.269 761 HB2 GLU 95 2HB GLU 95 23.142 2.927 6.482 762 HB3 GLU 95 3HB GLU 95 22.214 1.439 6.610 763 HG2 GLU 95 2HG GLU 95 25.218 1.616 6.632 764 HG3 GLU 95 3HG GLU 95 24.193 1.452 8.057 765 H VAL 96 H VAL 96 24.053 3.882 3.784 766 HA VAL 96 HA VAL 96 26.870 3.170 3.835 767 HB VAL 96 HB VAL 96 25.478 3.887 1.251 768 HG11 VAL 96 1HG1 VAL 96 27.698 3.676 0.229 769 HG12 VAL 96 2HG1 VAL 96 27.644 4.980 1.417 770 HG13 VAL 96 3HG1 VAL 96 28.405 3.443 1.827 771 HG21 VAL 96 3HG2 VAL 96 25.135 1.572 1.768 772 HG22 VAL 96 1HG2 VAL 96 26.367 1.677 0.511 773 HG23 VAL 96 2HG2 VAL 96 26.836 1.361 2.182 774 H LYS 97 H LYS 97 28.243 4.935 3.847 775 HA LYS 97 HA LYS 97 27.095 7.599 3.510 776 HB2 LYS 97 2HB LYS 97 27.753 8.396 5.642 777 HB3 LYS 97 3HB LYS 97 26.899 6.887 5.936 778 HG2 LYS 97 2HG LYS 97 29.009 5.719 6.211 779 HG3 LYS 97 3HG LYS 97 29.893 7.206 5.857 780 HD2 LYS 97 2HD LYS 97 29.923 7.360 8.118 781 HD3 LYS 97 3HD LYS 97 28.337 8.086 7.853 782 HE2 LYS 97 2HE LYS 97 27.514 6.524 9.209 783 HE3 LYS 97 3HE LYS 97 27.840 5.358 7.929 784 HZ1 LYS 97 3HZ LYS 97 29.892 4.789 8.895 785 HZ2 LYS 97 1HZ LYS 97 28.789 4.824 10.178 786 HZ3 LYS 97 2HZ LYS 97 29.866 6.109 9.954 787 H GLY 98 H GLY 98 28.492 9.030 2.635 788 HA2 GLY 98 2HA GLY 98 30.739 9.936 2.459 789 HA3 GLY 98 3HA GLY 98 31.349 8.292 2.580 790 HA PRO 99 HA PRO 99 30.715 9.755 -1.918 791 HB2 PRO 99 2HB PRO 99 33.295 10.329 -2.536 792 HB3 PRO 99 3HB PRO 99 32.168 11.535 -1.903 793 HG2 PRO 99 2HG PRO 99 34.275 9.971 -0.462 794 HG3 PRO 99 3HG PRO 99 33.860 11.689 -0.316 795 HD2 PRO 99 2HD PRO 99 33.024 9.830 1.468 796 HD3 PRO 99 3HD PRO 99 32.061 11.266 1.062 797 H ASP 100 H ASP 100 30.272 7.526 -2.216 798 HA ASP 100 HA ASP 100 32.593 6.009 -3.173 799 HB2 ASP 100 2HB ASP 100 31.832 3.973 -2.111 800 HB3 ASP 100 3HB ASP 100 32.015 5.221 -0.882 801 H ILE 101 H ILE 101 31.006 7.389 -4.860 802 HA ILE 101 HA ILE 101 28.708 6.119 -5.816 803 HB ILE 101 HB ILE 101 30.731 7.832 -7.255 804 HG12 ILE 101 2HG1 ILE 101 29.452 8.925 -5.453 805 HG13 ILE 101 3HG1 ILE 101 29.025 9.570 -7.034 806 HG21 ILE 101 1HG2 ILE 101 28.536 8.065 -8.778 807 HG22 ILE 101 2HG2 ILE 101 29.824 6.908 -9.107 808 HG23 ILE 101 3HG2 ILE 101 28.365 6.386 -8.266 809 HD11 ILE 101 3HD1 ILE 101 27.438 7.680 -5.324 810 HD12 ILE 101 1HD1 ILE 101 27.020 9.323 -5.811 811 HD13 ILE 101 2HD1 ILE 101 27.047 8.028 -7.008 812 H ASP 102 H ASP 102 32.076 5.390 -6.272 813 HA ASP 102 HA ASP 102 31.638 3.622 -8.507 814 HB2 ASP 102 2HB ASP 102 33.978 4.523 -6.911 815 HB3 ASP 102 3HB ASP 102 34.111 2.963 -7.718 816 H LYS 103 H LYS 103 32.396 3.262 -5.059 817 HA LYS 103 HA LYS 103 32.378 0.412 -5.116 818 HB2 LYS 103 2HB LYS 103 33.446 2.049 -3.387 819 HB3 LYS 103 3HB LYS 103 31.858 2.014 -2.633 820 HG2 LYS 103 2HG LYS 103 32.006 -0.360 -2.302 821 HG3 LYS 103 3HG LYS 103 33.519 -0.430 -3.208 822 HD2 LYS 103 2HD LYS 103 34.737 0.530 -1.507 823 HD3 LYS 103 3HD LYS 103 33.336 1.365 -0.832 824 HE2 LYS 103 2HE LYS 103 33.290 -1.596 -0.796 825 HE3 LYS 103 3HE LYS 103 34.423 -0.801 0.296 826 HZ1 LYS 103 3HZ LYS 103 31.500 -0.785 0.315 827 HZ2 LYS 103 1HZ LYS 103 32.289 0.623 0.823 828 HZ3 LYS 103 2HZ LYS 103 32.589 -0.844 1.608 829 H LEU 104 H LEU 104 29.930 2.790 -5.034 830 HA LEU 104 HA LEU 104 27.909 1.515 -3.591 831 HB2 LEU 104 2HB LEU 104 27.798 3.839 -4.362 832 HB3 LEU 104 3HB LEU 104 27.646 3.276 -6.025 833 HG LEU 104 HG LEU 104 25.543 2.020 -4.820 834 HD11 LEU 104 1HD1 LEU 104 24.395 3.754 -3.495 835 HD12 LEU 104 2HD1 LEU 104 25.869 4.721 -3.521 836 HD13 LEU 104 3HD1 LEU 104 25.857 3.153 -2.713 837 HD21 LEU 104 3HD2 LEU 104 25.030 4.761 -5.794 838 HD22 LEU 104 1HD2 LEU 104 24.313 3.226 -6.283 839 HD23 LEU 104 2HD2 LEU 104 25.903 3.688 -6.890 840 H ARG 105 H ARG 105 29.197 0.865 -6.738 841 HA ARG 105 HA ARG 105 26.988 -0.604 -7.760 842 HB2 ARG 105 2HB ARG 105 29.252 0.378 -8.863 843 HB3 ARG 105 3HB ARG 105 29.705 -1.313 -8.690 844 HG2 ARG 105 2HG ARG 105 27.814 -2.003 -10.010 845 HG3 ARG 105 3HG ARG 105 27.223 -0.343 -10.090 846 HD2 ARG 105 2HD ARG 105 28.383 -1.028 -12.150 847 HD3 ARG 105 3HD ARG 105 29.176 0.328 -11.350 848 HE ARG 105 HE ARG 105 31.020 -0.987 -11.032 849 HH11 ARG 105 1HH1 ARG 105 28.301 -3.013 -11.821 850 HH12 ARG 105 2HH1 ARG 105 29.250 -4.455 -11.963 851 HH21 ARG 105 2HH2 ARG 105 31.513 -4.378 -11.618 852 HH22 ARG 105 1HH2 ARG 105 32.280 -2.879 -11.216 853 H GLU 106 H GLU 106 29.684 -1.381 -5.697 854 HA GLU 106 HA GLU 106 29.054 -4.238 -5.835 855 HB2 GLU 106 2HB GLU 106 31.138 -4.606 -4.662 856 HB3 GLU 106 3HB GLU 106 31.422 -3.545 -6.034 857 HG2 GLU 106 2HG GLU 106 31.693 -1.664 -4.674 858 HG3 GLU 106 3HG GLU 106 30.958 -2.457 -3.282 859 H THR 107 H THR 107 28.659 -1.469 -3.840 860 HA THR 107 HA THR 107 28.214 -2.932 -1.394 861 HB THR 107 HB THR 107 27.394 -0.075 -1.883 862 HG1 THR 107 HG1 THR 107 29.761 -0.857 -2.362 863 HG21 THR 107 3HG2 THR 107 26.785 -0.309 0.258 864 HG22 THR 107 1HG2 THR 107 28.507 -0.335 0.632 865 HG23 THR 107 2HG2 THR 107 27.629 -1.849 0.414 866 H LEU 108 H LEU 108 26.298 -1.706 -4.032 867 HA LEU 108 HA LEU 108 23.790 -2.072 -2.633 868 HB2 LEU 108 2HB LEU 108 22.812 -0.960 -4.348 869 HB3 LEU 108 3HB LEU 108 24.462 -0.374 -4.550 870 HG LEU 108 HG LEU 108 24.600 -2.459 -6.188 871 HD11 LEU 108 1HD1 LEU 108 22.491 -3.405 -6.008 872 HD12 LEU 108 2HD1 LEU 108 22.358 -2.416 -7.462 873 HD13 LEU 108 3HD1 LEU 108 21.683 -1.839 -5.939 874 HD21 LEU 108 3HD2 LEU 108 24.167 0.347 -6.443 875 HD22 LEU 108 1HD2 LEU 108 23.271 -0.487 -7.713 876 HD23 LEU 108 2HD2 LEU 108 25.007 -0.749 -7.541 877 H ASP 109 H ASP 109 25.875 -3.883 -4.699 878 HA ASP 109 HA ASP 109 23.903 -5.750 -5.611 879 HB2 ASP 109 2HB ASP 109 25.697 -5.723 -7.056 880 HB3 ASP 109 3HB ASP 109 26.875 -5.530 -5.760 881 H GLU 110 H GLU 110 26.464 -5.842 -3.145 882 HA GLU 110 HA GLU 110 26.095 -8.435 -2.240 883 HB2 GLU 110 2HB GLU 110 26.814 -6.026 -0.561 884 HB3 GLU 110 3HB GLU 110 27.127 -7.706 -0.151 885 HG2 GLU 110 2HG GLU 110 28.217 -6.736 -2.720 886 HG3 GLU 110 3HG GLU 110 28.955 -6.110 -1.247 887 H LEU 111 H LEU 111 24.097 -5.655 -1.813 888 HA LEU 111 HA LEU 111 22.552 -6.950 0.309 889 HB2 LEU 111 2HB LEU 111 22.917 -4.725 0.862 890 HB3 LEU 111 3HB LEU 111 22.678 -4.173 -0.795 891 HG LEU 111 HG LEU 111 20.338 -5.343 0.608 892 HD11 LEU 111 1HD1 LEU 111 20.035 -2.786 1.337 893 HD12 LEU 111 2HD1 LEU 111 21.785 -2.928 1.499 894 HD13 LEU 111 3HD1 LEU 111 20.727 -4.016 2.395 895 HD21 LEU 111 3HD2 LEU 111 19.417 -3.186 -0.589 896 HD22 LEU 111 1HD2 LEU 111 19.750 -4.662 -1.495 897 HD23 LEU 111 2HD2 LEU 111 20.913 -3.335 -1.512 898 H LEU 112 H LEU 112 22.060 -5.473 -2.891 899 HA LEU 112 HA LEU 112 19.359 -6.142 -3.177 900 HB2 LEU 112 2HB LEU 112 20.746 -4.570 -4.595 901 HB3 LEU 112 3HB LEU 112 21.351 -6.001 -5.427 902 HG LEU 112 HG LEU 112 19.115 -6.519 -6.218 903 HD11 LEU 112 1HD1 LEU 112 17.451 -5.853 -4.875 904 HD12 LEU 112 2HD1 LEU 112 17.539 -4.346 -5.786 905 HD13 LEU 112 3HD1 LEU 112 18.373 -4.491 -4.238 906 HD21 LEU 112 3HD2 LEU 112 18.974 -3.796 -7.067 907 HD22 LEU 112 1HD2 LEU 112 19.534 -5.211 -7.959 908 HD23 LEU 112 2HD2 LEU 112 20.666 -4.287 -6.971 909 H ALA 113 H ALA 113 22.177 -8.091 -3.335 910 HA ALA 113 HA ALA 113 21.470 -10.127 -5.066 911 HB1 ALA 113 1HB ALA 113 22.980 -10.309 -2.462 912 HB2 ALA 113 2HB ALA 113 22.913 -11.585 -3.678 913 HB3 ALA 113 3HB ALA 113 23.659 -10.035 -4.067 914 H ARG 114 H ARG 114 20.254 -9.413 -1.879 915 HA ARG 114 HA ARG 114 19.138 -11.871 -1.187 916 HB2 ARG 114 2HB ARG 114 18.206 -9.062 -0.580 917 HB3 ARG 114 3HB ARG 114 17.516 -10.500 0.161 918 HG2 ARG 114 2HG ARG 114 19.939 -11.024 0.872 919 HG3 ARG 114 3HG ARG 114 20.241 -9.322 0.513 920 HD2 ARG 114 2HD ARG 114 19.701 -9.204 2.741 921 HD3 ARG 114 3HD ARG 114 18.120 -8.948 2.003 922 HE ARG 114 HE ARG 114 18.375 -11.675 2.402 923 HH11 ARG 114 1HH1 ARG 114 18.311 -8.787 4.346 924 HH12 ARG 114 2HH1 ARG 114 17.628 -9.577 5.729 925 HH21 ARG 114 2HH2 ARG 114 17.154 -11.817 5.654 926 HH22 ARG 114 1HH2 ARG 114 17.476 -12.725 4.216 927 H LEU 115 H LEU 115 17.638 -9.152 -2.932 928 HA LEU 115 HA LEU 115 15.210 -10.555 -3.439 929 HB2 LEU 115 2HB LEU 115 15.817 -7.979 -3.453 930 HB3 LEU 115 3HB LEU 115 16.073 -8.296 -5.167 931 HG LEU 115 HG LEU 115 13.497 -8.824 -3.688 932 HD11 LEU 115 1HD1 LEU 115 13.479 -6.753 -5.721 933 HD12 LEU 115 2HD1 LEU 115 14.542 -6.365 -4.369 934 HD13 LEU 115 3HD1 LEU 115 12.843 -6.733 -4.076 935 HD21 LEU 115 3HD2 LEU 115 12.778 -8.727 -6.232 936 HD22 LEU 115 1HD2 LEU 115 13.342 -10.221 -5.483 937 HD23 LEU 115 2HD2 LEU 115 14.443 -9.260 -6.471 938 H GLU 116 H GLU 116 17.806 -9.493 -5.649 939 HA GLU 116 HA GLU 116 16.887 -11.002 -7.846 940 HB2 GLU 116 2HB GLU 116 18.410 -9.067 -8.049 941 HB3 GLU 116 3HB GLU 116 19.685 -10.004 -7.282 942 HG2 GLU 116 2HG GLU 116 18.551 -11.390 -9.554 943 HG3 GLU 116 3HG GLU 116 19.176 -9.801 -9.991 Start of MODEL 4 1 H1 MET 1 H MET 1 0.174 3.842 -1.788 2 HA MET 1 HA MET 1 1.973 4.405 -3.276 3 HB2 MET 1 2HB MET 1 3.657 2.647 -2.788 4 HB3 MET 1 3HB MET 1 2.772 3.171 -1.362 5 HG2 MET 1 2HG MET 1 1.349 0.998 -2.439 6 HG3 MET 1 3HG MET 1 3.053 0.550 -2.452 7 HE1 MET 1 3HE MET 1 1.644 -1.407 0.219 8 HE2 MET 1 1HE MET 1 0.258 -0.326 0.367 9 HE3 MET 1 2HE MET 1 0.840 -0.799 -1.229 10 H ALA 2 H ALA 2 0.252 1.457 -4.038 11 HA ALA 2 HA ALA 2 -0.041 0.307 -5.980 12 HB1 ALA 2 1HB ALA 2 -0.120 2.930 -6.686 13 HB2 ALA 2 2HB ALA 2 1.158 2.322 -7.740 14 HB3 ALA 2 3HB ALA 2 -0.444 1.585 -7.779 15 H ARG 3 H ARG 3 1.220 -0.363 -8.096 16 HA ARG 3 HA ARG 3 4.099 -0.445 -7.681 17 HB2 ARG 3 2HB ARG 3 3.308 -2.365 -6.398 18 HB3 ARG 3 3HB ARG 3 2.401 -2.943 -7.789 19 HG2 ARG 3 2HG ARG 3 5.039 -2.633 -8.675 20 HG3 ARG 3 3HG ARG 3 5.141 -3.396 -7.086 21 HD2 ARG 3 2HD ARG 3 3.458 -5.063 -7.856 22 HD3 ARG 3 3HD ARG 3 3.551 -4.347 -9.464 23 HE ARG 3 HE ARG 3 6.135 -4.951 -8.852 24 HH11 ARG 3 1HH1 ARG 3 3.158 -6.754 -8.952 25 HH12 ARG 3 2HH1 ARG 3 3.927 -8.251 -9.364 26 HH21 ARG 3 2HH2 ARG 3 6.202 -8.342 -9.615 27 HH22 ARG 3 1HH2 ARG 3 7.158 -6.916 -9.395 28 HA PRO 4 HA PRO 4 2.743 -0.121 -12.113 29 HB2 PRO 4 2HB PRO 4 4.397 1.947 -12.712 30 HB3 PRO 4 3HB PRO 4 2.780 2.175 -12.035 31 HG2 PRO 4 2HG PRO 4 5.435 2.217 -10.653 32 HG3 PRO 4 3HG PRO 4 4.047 3.302 -10.444 33 HD2 PRO 4 2HD PRO 4 4.584 1.277 -8.728 34 HD3 PRO 4 3HD PRO 4 2.930 1.815 -9.082 35 H SER 5 H SER 5 4.078 -0.362 -14.057 36 HA SER 5 HA SER 5 6.764 -1.429 -13.514 37 HB2 SER 5 2HB SER 5 4.944 -2.711 -15.540 38 HB3 SER 5 3HB SER 5 6.395 -3.372 -14.786 39 HG SER 5 HG SER 5 4.609 -4.307 -13.826 40 H ASN 6 H ASN 6 7.897 0.242 -14.387 41 HA ASN 6 HA ASN 6 7.320 0.937 -17.190 42 HB2 ASN 6 2HB ASN 6 7.720 2.586 -14.923 43 HB3 ASN 6 3HB ASN 6 9.131 2.791 -15.957 44 HD21 ASN 6 2HD2 ASN 6 5.793 4.701 -16.821 45 HD22 ASN 6 1HD2 ASN 6 6.181 3.986 -15.297 46 H VAL 7 H VAL 7 9.621 2.093 -17.974 47 HA VAL 7 HA VAL 7 11.550 -0.127 -17.832 48 HB VAL 7 HB VAL 7 11.245 1.966 -19.990 49 HG11 VAL 7 1HG1 VAL 7 13.026 -0.461 -19.808 50 HG12 VAL 7 2HG1 VAL 7 12.813 0.533 -21.250 51 HG13 VAL 7 3HG1 VAL 7 13.538 1.227 -19.799 52 HG21 VAL 7 3HG2 VAL 7 10.077 -0.716 -19.599 53 HG22 VAL 7 1HG2 VAL 7 9.469 0.667 -20.507 54 HG23 VAL 7 2HG2 VAL 7 10.710 -0.371 -21.208 55 H LYS 8 H LYS 8 11.128 3.311 -17.442 56 HA LYS 8 HA LYS 8 13.940 3.519 -16.581 57 HB2 LYS 8 2HB LYS 8 12.264 5.309 -18.251 58 HB3 LYS 8 3HB LYS 8 13.336 6.087 -17.095 59 HG2 LYS 8 2HG LYS 8 14.830 5.970 -18.756 60 HG3 LYS 8 3HG LYS 8 15.022 4.297 -18.226 61 HD2 LYS 8 2HD LYS 8 12.982 3.921 -19.868 62 HD3 LYS 8 3HD LYS 8 13.616 5.392 -20.610 63 HE2 LYS 8 2HE LYS 8 15.854 4.280 -20.702 64 HE3 LYS 8 3HE LYS 8 15.078 2.795 -20.155 65 HZ1 LYS 8 3HZ LYS 8 15.188 2.663 -22.485 66 HZ2 LYS 8 1HZ LYS 8 14.635 4.248 -22.697 67 HZ3 LYS 8 2HZ LYS 8 13.577 3.051 -22.141 68 HA PRO 9 HA PRO 9 12.619 4.879 -12.624 69 HB2 PRO 9 2HB PRO 9 14.424 6.820 -12.036 70 HB3 PRO 9 3HB PRO 9 14.836 5.101 -12.062 71 HG2 PRO 9 2HG PRO 9 15.292 7.191 -14.156 72 HG3 PRO 9 3HG PRO 9 16.386 5.914 -13.594 73 HD2 PRO 9 2HD PRO 9 14.959 5.705 -15.886 74 HD3 PRO 9 3HD PRO 9 15.364 4.298 -14.882 75 H SER 10 H SER 10 13.128 7.411 -15.027 76 HA SER 10 HA SER 10 12.017 9.346 -15.473 77 HB2 SER 10 2HB SER 10 9.748 8.862 -13.663 78 HB3 SER 10 3HB SER 10 9.760 9.196 -15.395 79 HG SER 10 HG SER 10 10.008 7.080 -15.819 80 HA PRO 11 HA PRO 11 12.934 12.229 -12.298 81 HB2 PRO 11 2HB PRO 11 11.199 14.251 -12.823 82 HB3 PRO 11 3HB PRO 11 12.597 13.895 -13.844 83 HG2 PRO 11 2HG PRO 11 9.727 13.137 -14.231 84 HG3 PRO 11 3HG PRO 11 10.895 13.743 -15.421 85 HD2 PRO 11 2HD PRO 11 10.265 11.118 -15.204 86 HD3 PRO 11 3HD PRO 11 11.877 11.676 -15.696 87 H HIS 12 H HIS 12 12.453 12.421 -10.197 88 HA HIS 12 HA HIS 12 9.740 12.703 -9.270 89 HB2 HIS 12 2HB HIS 12 10.937 10.096 -9.377 90 HB3 HIS 12 3HB HIS 12 10.707 10.559 -7.693 91 HD1 HIS 12 HD1 HIS 12 8.043 12.020 -7.842 92 HD2 HIS 12 HD2 HIS 12 8.822 8.467 -9.848 93 HE1 HIS 12 HE1 HIS 12 5.794 10.976 -8.257 94 H VAL 13 H VAL 13 10.012 14.365 -7.935 95 HA VAL 13 HA VAL 13 12.286 14.296 -6.059 96 HB VAL 13 HB VAL 13 12.149 16.753 -5.964 97 HG11 VAL 13 1HG1 VAL 13 13.541 16.993 -7.719 98 HG12 VAL 13 2HG1 VAL 13 13.354 15.243 -7.853 99 HG13 VAL 13 3HG1 VAL 13 12.385 16.315 -8.865 100 HG21 VAL 13 3HG2 VAL 13 9.735 16.262 -7.517 101 HG22 VAL 13 1HG2 VAL 13 10.203 17.671 -6.566 102 HG23 VAL 13 2HG2 VAL 13 10.769 17.501 -8.227 103 H ILE 14 H ILE 14 11.920 14.713 -3.910 104 HA ILE 14 HA ILE 14 9.125 15.146 -3.092 105 HB ILE 14 HB ILE 14 11.004 13.347 -1.578 106 HG12 ILE 14 2HG1 ILE 14 10.694 12.344 -3.770 107 HG13 ILE 14 3HG1 ILE 14 9.764 11.444 -2.577 108 HG21 ILE 14 1HG2 ILE 14 9.335 13.911 -0.115 109 HG22 ILE 14 2HG2 ILE 14 8.134 14.109 -1.390 110 HG23 ILE 14 3HG2 ILE 14 8.619 12.492 -0.878 111 HD11 ILE 14 3HD1 ILE 14 8.884 12.732 -4.971 112 HD12 ILE 14 1HD1 ILE 14 7.995 11.672 -3.878 113 HD13 ILE 14 2HD1 ILE 14 8.041 13.410 -3.578 114 H LYS 15 H LYS 15 8.845 16.120 -1.007 115 HA LYS 15 HA LYS 15 11.058 17.097 0.500 116 HB2 LYS 15 2HB LYS 15 10.471 19.548 0.076 117 HB3 LYS 15 3HB LYS 15 11.385 18.718 -1.176 118 HG2 LYS 15 2HG LYS 15 9.674 18.785 -2.667 119 HG3 LYS 15 3HG LYS 15 8.432 18.713 -1.415 120 HD2 LYS 15 2HD LYS 15 8.496 20.981 -1.033 121 HD3 LYS 15 3HD LYS 15 10.159 21.138 -1.603 122 HE2 LYS 15 2HE LYS 15 9.113 20.435 -3.899 123 HE3 LYS 15 3HE LYS 15 7.617 21.006 -3.161 124 HZ1 LYS 15 3HZ LYS 15 9.930 22.510 -4.059 125 HZ2 LYS 15 1HZ LYS 15 9.255 23.025 -2.595 126 HZ3 LYS 15 2HZ LYS 15 8.301 22.964 -3.991 127 H SER 16 H SER 16 8.941 15.623 1.302 128 HA SER 16 HA SER 16 7.651 17.421 3.185 129 HB2 SER 16 2HB SER 16 6.200 15.942 1.036 130 HB3 SER 16 3HB SER 16 5.440 16.058 2.623 131 HG SER 16 HG SER 16 6.480 18.341 1.335 132 H LEU 17 H LEU 17 6.796 16.354 5.030 133 HA LEU 17 HA LEU 17 8.272 14.078 5.833 134 HB2 LEU 17 2HB LEU 17 7.006 16.038 7.152 135 HB3 LEU 17 3HB LEU 17 5.795 14.766 7.295 136 HG LEU 17 HG LEU 17 7.568 13.312 8.305 137 HD11 LEU 17 1HD1 LEU 17 9.358 15.009 7.309 138 HD12 LEU 17 2HD1 LEU 17 9.672 14.033 8.743 139 HD13 LEU 17 3HD1 LEU 17 9.181 15.718 8.914 140 HD21 LEU 17 3HD2 LEU 17 7.498 14.423 10.493 141 HD22 LEU 17 1HD2 LEU 17 5.928 14.448 9.689 142 HD23 LEU 17 2HD2 LEU 17 6.927 15.901 9.715 143 H GLU 18 H GLU 18 4.779 14.498 5.241 144 HA GLU 18 HA GLU 18 4.015 11.852 5.599 145 HB2 GLU 18 2HB GLU 18 2.486 13.823 5.337 146 HB3 GLU 18 3HB GLU 18 2.804 13.774 3.609 147 HG2 GLU 18 2HG GLU 18 2.051 11.232 3.996 148 HG3 GLU 18 3HG GLU 18 1.134 12.016 5.281 149 H GLU 19 H GLU 19 4.991 13.501 2.604 150 HA GLU 19 HA GLU 19 4.658 11.360 0.853 151 HB2 GLU 19 2HB GLU 19 5.242 13.844 0.384 152 HB3 GLU 19 3HB GLU 19 6.912 13.320 0.548 153 HG2 GLU 19 2HG GLU 19 6.289 13.340 -1.773 154 HG3 GLU 19 3HG GLU 19 6.557 11.680 -1.244 155 H LEU 20 H LEU 20 7.310 12.152 3.013 156 HA LEU 20 HA LEU 20 9.195 10.321 1.987 157 HB2 LEU 20 2HB LEU 20 9.265 12.275 3.846 158 HB3 LEU 20 3HB LEU 20 9.231 10.853 4.887 159 HG LEU 20 HG LEU 20 11.224 10.032 3.480 160 HD11 LEU 20 1HD1 LEU 20 12.083 12.757 3.001 161 HD12 LEU 20 2HD1 LEU 20 10.666 12.328 2.043 162 HD13 LEU 20 3HD1 LEU 20 12.131 11.351 1.937 163 HD21 LEU 20 3HD2 LEU 20 11.224 10.919 5.855 164 HD22 LEU 20 1HD2 LEU 20 11.732 12.464 5.173 165 HD23 LEU 20 2HD2 LEU 20 12.747 11.036 4.973 166 H ARG 21 H ARG 21 7.267 10.060 4.982 167 HA ARG 21 HA ARG 21 7.823 7.338 5.405 168 HB2 ARG 21 2HB ARG 21 6.969 8.906 7.138 169 HB3 ARG 21 3HB ARG 21 5.403 8.890 6.338 170 HG2 ARG 21 2HG ARG 21 4.994 6.668 6.925 171 HG3 ARG 21 3HG ARG 21 6.691 6.362 7.299 172 HD2 ARG 21 2HD ARG 21 5.579 6.529 9.378 173 HD3 ARG 21 3HD ARG 21 6.453 8.046 9.165 174 HE ARG 21 HE ARG 21 4.452 9.133 9.206 175 HH11 ARG 21 1HH1 ARG 21 3.884 5.798 8.383 176 HH12 ARG 21 2HH1 ARG 21 2.158 5.951 8.403 177 HH21 ARG 21 2HH2 ARG 21 1.191 7.971 8.887 178 HH22 ARG 21 1HH2 ARG 21 2.181 9.347 9.236 179 H GLU 22 H GLU 22 5.704 8.893 3.221 180 HA GLU 22 HA GLU 22 3.874 6.685 2.931 181 HB2 GLU 22 2HB GLU 22 4.253 9.332 1.596 182 HB3 GLU 22 3HB GLU 22 3.305 8.099 0.777 183 HG2 GLU 22 2HG GLU 22 2.697 8.771 3.616 184 HG3 GLU 22 3HG GLU 22 2.151 9.842 2.327 185 H ALA 23 H ALA 23 6.294 8.189 0.783 186 HA ALA 23 HA ALA 23 6.213 6.295 -1.249 187 HB1 ALA 23 1HB ALA 23 8.869 7.157 -1.123 188 HB2 ALA 23 2HB ALA 23 7.565 7.838 -2.098 189 HB3 ALA 23 3HB ALA 23 7.905 8.495 -0.497 190 H THR 24 H THR 24 7.648 6.123 1.893 191 HA THR 24 HA THR 24 9.487 4.014 1.338 192 HB THR 24 HB THR 24 9.065 3.755 4.000 193 HG1 THR 24 HG1 THR 24 7.684 5.311 4.493 194 HG21 THR 24 3HG2 THR 24 11.213 4.224 2.983 195 HG22 THR 24 1HG2 THR 24 10.923 5.366 4.295 196 HG23 THR 24 2HG2 THR 24 10.713 5.876 2.619 197 H ALA 25 H ALA 25 6.104 4.168 2.004 198 HA ALA 25 HA ALA 25 5.739 1.545 3.010 199 HB1 ALA 25 1HB ALA 25 3.782 3.328 1.566 200 HB2 ALA 25 2HB ALA 25 3.374 1.885 2.496 201 HB3 ALA 25 3HB ALA 25 4.064 3.291 3.307 202 H SER 26 H SER 26 6.321 2.784 -0.140 203 HA SER 26 HA SER 26 5.062 0.979 -1.804 204 HB2 SER 26 2HB SER 26 6.562 1.640 -3.484 205 HB3 SER 26 3HB SER 26 6.550 3.018 -2.384 206 HG SER 26 HG SER 26 8.600 2.716 -2.117 207 H ASN 27 H ASN 27 5.733 -0.963 -2.820 208 HA ASN 27 HA ASN 27 7.335 -2.658 -1.060 209 HB2 ASN 27 2HB ASN 27 6.292 -4.526 -2.108 210 HB3 ASN 27 3HB ASN 27 5.022 -3.333 -1.849 211 HD21 ASN 27 2HD2 ASN 27 5.557 -4.805 -5.450 212 HD22 ASN 27 1HD2 ASN 27 6.097 -5.511 -3.968 213 H ARG 28 H ARG 28 8.718 -0.744 -2.641 214 HA ARG 28 HA ARG 28 10.252 -2.551 -4.386 215 HB2 ARG 28 2HB ARG 28 9.693 0.377 -4.900 216 HB3 ARG 28 3HB ARG 28 10.687 -0.673 -5.901 217 HG2 ARG 28 2HG ARG 28 7.846 -1.408 -5.375 218 HG3 ARG 28 3HG ARG 28 8.225 -0.164 -6.568 219 HD2 ARG 28 2HD ARG 28 9.939 -2.453 -6.903 220 HD3 ARG 28 3HD ARG 28 8.244 -2.939 -6.930 221 HE ARG 28 HE ARG 28 8.437 -0.730 -8.573 222 HH11 ARG 28 1HH1 ARG 28 9.792 -3.935 -8.441 223 HH12 ARG 28 2HH1 ARG 28 9.964 -4.074 -10.160 224 HH21 ARG 28 2HH2 ARG 28 9.320 -2.347 -11.521 225 HH22 ARG 28 1HH2 ARG 28 8.659 -0.901 -10.837 226 H ILE 29 H ILE 29 12.386 -1.071 -5.001 227 HA ILE 29 HA ILE 29 13.556 -0.408 -2.379 228 HB ILE 29 HB ILE 29 15.030 -1.383 -4.827 229 HG12 ILE 29 2HG1 ILE 29 15.321 -3.404 -3.113 230 HG13 ILE 29 3HG1 ILE 29 13.764 -2.817 -2.540 231 HG21 ILE 29 1HG2 ILE 29 15.843 -0.653 -2.046 232 HG22 ILE 29 2HG2 ILE 29 16.762 -1.855 -2.950 233 HG23 ILE 29 3HG2 ILE 29 16.591 -0.218 -3.582 234 HD11 ILE 29 3HD1 ILE 29 14.023 -3.174 -5.452 235 HD12 ILE 29 1HD1 ILE 29 14.043 -4.642 -4.475 236 HD13 ILE 29 2HD1 ILE 29 12.675 -3.533 -4.373 237 H SER 30 H SER 30 13.711 1.723 -2.147 238 HA SER 30 HA SER 30 14.494 3.339 -4.483 239 HB2 SER 30 2HB SER 30 13.082 4.307 -1.989 240 HB3 SER 30 3HB SER 30 13.362 5.217 -3.473 241 HG SER 30 HG SER 30 12.120 3.203 -4.354 242 H VAL 31 H VAL 31 15.978 5.073 -4.157 243 HA VAL 31 HA VAL 31 17.879 4.526 -1.988 244 HB VAL 31 HB VAL 31 18.342 6.196 -4.460 245 HG11 VAL 31 1HG1 VAL 31 20.553 6.322 -3.852 246 HG12 VAL 31 2HG1 VAL 31 19.774 6.354 -2.269 247 HG13 VAL 31 3HG1 VAL 31 20.481 4.856 -2.875 248 HG21 VAL 31 3HG2 VAL 31 19.019 3.296 -3.971 249 HG22 VAL 31 1HG2 VAL 31 17.819 3.909 -5.109 250 HG23 VAL 31 2HG2 VAL 31 19.531 4.249 -5.365 251 H ILE 32 H ILE 32 17.131 5.690 -0.270 252 HA ILE 32 HA ILE 32 16.173 8.379 -0.526 253 HB ILE 32 HB ILE 32 17.006 6.933 1.991 254 HG12 ILE 32 2HG1 ILE 32 14.170 7.101 1.652 255 HG13 ILE 32 3HG1 ILE 32 14.864 6.374 0.208 256 HG21 ILE 32 1HG2 ILE 32 15.173 9.291 1.573 257 HG22 ILE 32 2HG2 ILE 32 15.534 8.518 3.115 258 HG23 ILE 32 3HG2 ILE 32 16.807 9.359 2.231 259 HD11 ILE 32 3HD1 ILE 32 16.174 4.964 2.043 260 HD12 ILE 32 1HD1 ILE 32 14.727 5.350 2.973 261 HD13 ILE 32 2HD1 ILE 32 14.585 4.500 1.434 262 H VAL 33 H VAL 33 17.557 9.934 -1.098 263 HA VAL 33 HA VAL 33 20.121 10.096 0.348 264 HB VAL 33 HB VAL 33 19.658 11.138 -2.445 265 HG11 VAL 33 1HG1 VAL 33 22.159 11.137 -2.471 266 HG12 VAL 33 2HG1 VAL 33 21.439 12.279 -1.335 267 HG13 VAL 33 3HG1 VAL 33 22.119 10.761 -0.749 268 HG21 VAL 33 3HG2 VAL 33 19.632 8.965 -3.034 269 HG22 VAL 33 1HG2 VAL 33 21.372 9.066 -2.766 270 HG23 VAL 33 2HG2 VAL 33 20.320 8.433 -1.500 271 H PHE 34 H PHE 34 20.464 11.908 1.463 272 HA PHE 34 HA PHE 34 18.639 14.173 1.008 273 HB2 PHE 34 2HB PHE 34 19.829 14.573 3.485 274 HB3 PHE 34 3HB PHE 34 18.208 13.948 3.198 275 HD1 PHE 34 HD1 PHE 34 21.544 13.199 4.342 276 HD2 PHE 34 HD2 PHE 34 17.830 11.492 3.156 277 HE1 PHE 34 HE1 PHE 34 22.178 11.080 5.421 278 HE2 PHE 34 HE2 PHE 34 18.457 9.370 4.233 279 HZ PHE 34 HZ PHE 34 20.633 9.163 5.368 280 H THR 35 H THR 35 19.454 16.065 0.377 281 HA THR 35 HA THR 35 22.150 16.858 1.028 282 HB THR 35 HB THR 35 22.543 15.452 -0.956 283 HG1 THR 35 HG1 THR 35 23.957 16.879 -1.686 284 HG21 THR 35 3HG2 THR 35 20.530 17.310 -2.192 285 HG22 THR 35 1HG2 THR 35 20.546 15.547 -2.191 286 HG23 THR 35 2HG2 THR 35 21.711 16.439 -3.169 287 H HIS 36 H HIS 36 22.578 19.068 0.561 288 HA HIS 36 HA HIS 36 20.492 20.825 0.971 289 HB2 HIS 36 2HB HIS 36 23.135 21.364 -0.399 290 HB3 HIS 36 3HB HIS 36 22.050 22.606 0.219 291 HD1 HIS 36 HD1 HIS 36 21.703 22.600 2.878 292 HD2 HIS 36 HD2 HIS 36 24.866 20.321 1.442 293 HE1 HIS 36 HE1 HIS 36 23.173 22.160 4.870 294 HA PRO 37 HA PRO 37 18.395 21.054 -2.902 295 HB2 PRO 37 2HB PRO 37 17.068 23.386 -2.487 296 HB3 PRO 37 3HB PRO 37 16.610 21.867 -1.707 297 HG2 PRO 37 2HG PRO 37 18.211 24.150 -0.617 298 HG3 PRO 37 3HG PRO 37 16.931 23.206 0.168 299 HD2 PRO 37 2HD PRO 37 19.561 22.764 0.635 300 HD3 PRO 37 3HD PRO 37 18.353 21.464 0.675 301 H ASP 38 H ASP 38 19.799 24.121 -1.735 302 HA ASP 38 HA ASP 38 20.653 24.675 -4.501 303 HB2 ASP 38 2HB ASP 38 19.027 26.316 -3.846 304 HB3 ASP 38 3HB ASP 38 19.841 26.586 -2.307 305 H SER 39 H SER 39 22.569 23.402 -3.990 306 HA SER 39 HA SER 39 24.554 25.002 -2.515 307 HB2 SER 39 2HB SER 39 23.954 23.012 -1.196 308 HB3 SER 39 3HB SER 39 24.362 21.979 -2.566 309 HG SER 39 HG SER 39 26.003 23.227 -0.748 310 H LYS 40 H LYS 40 25.765 25.869 -4.079 311 HA LYS 40 HA LYS 40 26.233 24.676 -6.603 312 HB2 LYS 40 2HB LYS 40 26.339 27.127 -6.128 313 HB3 LYS 40 3HB LYS 40 27.844 26.852 -5.260 314 HG2 LYS 40 2HG LYS 40 28.490 25.697 -7.573 315 HG3 LYS 40 3HG LYS 40 27.298 26.856 -8.165 316 HD2 LYS 40 2HD LYS 40 28.524 28.692 -7.248 317 HD3 LYS 40 3HD LYS 40 29.618 27.603 -6.391 318 HE2 LYS 40 2HE LYS 40 30.917 27.345 -8.188 319 HE3 LYS 40 3HE LYS 40 29.533 27.066 -9.244 320 HZ1 LYS 40 3HZ LYS 40 31.003 29.119 -9.638 321 HZ2 LYS 40 1HZ LYS 40 30.177 29.790 -8.322 322 HZ3 LYS 40 2HZ LYS 40 29.323 29.306 -9.699 323 H ARG 41 H ARG 41 28.356 25.121 -3.776 324 HA ARG 41 HA ARG 41 30.578 23.772 -4.823 325 HB2 ARG 41 2HB ARG 41 31.467 23.801 -2.634 326 HB3 ARG 41 3HB ARG 41 30.475 25.248 -2.754 327 HG2 ARG 41 2HG ARG 41 28.765 23.264 -1.793 328 HG3 ARG 41 3HG ARG 41 30.283 23.043 -0.922 329 HD2 ARG 41 2HD ARG 41 30.163 25.636 -0.641 330 HD3 ARG 41 3HD ARG 41 28.449 25.400 -0.978 331 HE ARG 41 HE ARG 41 28.201 24.467 1.100 332 HH11 ARG 41 1HH1 ARG 41 31.587 24.622 0.306 333 HH12 ARG 41 2HH1 ARG 41 32.114 24.154 1.889 334 HH21 ARG 41 2HH2 ARG 41 30.574 23.715 3.527 335 HH22 ARG 41 1HH2 ARG 41 28.882 23.851 3.188 336 H SER 42 H SER 42 27.578 22.592 -3.690 337 HA SER 42 HA SER 42 28.656 19.849 -3.622 338 HB2 SER 42 2HB SER 42 27.391 21.094 -1.556 339 HB3 SER 42 3HB SER 42 26.029 20.314 -2.359 340 HG SER 42 HG SER 42 28.388 19.086 -1.375 341 H LYS 43 H LYS 43 26.361 18.405 -3.761 342 HA LYS 43 HA LYS 43 24.865 17.517 -5.226 343 HB2 LYS 43 2HB LYS 43 24.367 20.386 -5.254 344 HB3 LYS 43 3HB LYS 43 23.926 19.624 -6.777 345 HG2 LYS 43 2HG LYS 43 22.900 17.927 -4.837 346 HG3 LYS 43 3HG LYS 43 22.591 19.550 -4.217 347 HD2 LYS 43 2HD LYS 43 22.007 19.096 -7.081 348 HD3 LYS 43 3HD LYS 43 20.948 18.287 -5.923 349 HE2 LYS 43 2HE LYS 43 20.072 20.479 -6.558 350 HE3 LYS 43 3HE LYS 43 20.480 20.420 -4.844 351 HZ1 LYS 43 3HZ LYS 43 21.226 22.401 -6.404 352 HZ2 LYS 43 1HZ LYS 43 22.545 21.375 -6.669 353 HZ3 LYS 43 2HZ LYS 43 22.170 21.882 -5.100 354 H GLU 44 H GLU 44 27.739 18.259 -6.017 355 HA GLU 44 HA GLU 44 27.568 18.525 -8.891 356 HB2 GLU 44 2HB GLU 44 30.034 17.864 -7.288 357 HB3 GLU 44 3HB GLU 44 29.946 18.605 -8.879 358 HG2 GLU 44 2HG GLU 44 28.531 20.373 -7.368 359 HG3 GLU 44 3HG GLU 44 29.750 19.811 -6.225 360 H ILE 45 H ILE 45 28.475 16.015 -6.560 361 HA ILE 45 HA ILE 45 29.164 14.053 -8.475 362 HB ILE 45 HB ILE 45 28.908 12.428 -6.624 363 HG12 ILE 45 2HG1 ILE 45 28.540 13.691 -4.326 364 HG13 ILE 45 3HG1 ILE 45 27.623 14.801 -5.339 365 HG21 ILE 45 1HG2 ILE 45 30.392 14.267 -5.077 366 HG22 ILE 45 2HG2 ILE 45 30.995 13.024 -6.172 367 HG23 ILE 45 3HG2 ILE 45 30.684 14.652 -6.773 368 HD11 ILE 45 3HD1 ILE 45 26.602 12.606 -4.143 369 HD12 ILE 45 1HD1 ILE 45 25.929 13.362 -5.587 370 HD13 ILE 45 2HD1 ILE 45 26.997 11.967 -5.739 371 H LYS 46 H LYS 46 26.175 15.341 -7.572 372 HA LYS 46 HA LYS 46 24.390 13.256 -7.632 373 HB2 LYS 46 2HB LYS 46 24.134 16.030 -8.795 374 HB3 LYS 46 3HB LYS 46 22.786 14.908 -8.677 375 HG2 LYS 46 2HG LYS 46 24.410 15.819 -6.315 376 HG3 LYS 46 3HG LYS 46 22.916 16.595 -6.846 377 HD2 LYS 46 2HD LYS 46 21.609 14.883 -6.116 378 HD3 LYS 46 3HD LYS 46 22.837 13.660 -6.451 379 HE2 LYS 46 2HE LYS 46 23.639 15.508 -4.354 380 HE3 LYS 46 3HE LYS 46 22.144 14.657 -3.967 381 HZ1 LYS 46 3HZ LYS 46 24.080 12.887 -5.062 382 HZ2 LYS 46 1HZ LYS 46 23.269 12.802 -3.580 383 HZ3 LYS 46 2HZ LYS 46 24.703 13.690 -3.709 384 H GLU 47 H GLU 47 25.733 15.001 -10.423 385 HA GLU 47 HA GLU 47 24.360 13.744 -12.460 386 HB2 GLU 47 2HB GLU 47 26.016 15.663 -12.634 387 HB3 GLU 47 3HB GLU 47 27.288 14.450 -12.619 388 HG2 GLU 47 2HG GLU 47 25.601 13.526 -14.571 389 HG3 GLU 47 3HG GLU 47 25.510 15.275 -14.770 390 H LYS 48 H LYS 48 27.198 12.632 -10.690 391 HA LYS 48 HA LYS 48 27.864 10.428 -12.271 392 HB2 LYS 48 2HB LYS 48 28.948 11.530 -10.081 393 HB3 LYS 48 3HB LYS 48 28.135 10.167 -9.323 394 HG2 LYS 48 2HG LYS 48 29.315 8.644 -10.859 395 HG3 LYS 48 3HG LYS 48 30.175 10.030 -11.534 396 HD2 LYS 48 2HD LYS 48 30.279 9.780 -8.601 397 HD3 LYS 48 3HD LYS 48 31.104 8.505 -9.500 398 HE2 LYS 48 2HE LYS 48 32.713 9.898 -10.252 399 HE3 LYS 48 3HE LYS 48 31.596 11.248 -10.450 400 HZ1 LYS 48 3HZ LYS 48 31.727 10.915 -7.758 401 HZ2 LYS 48 1HZ LYS 48 32.573 12.079 -8.648 402 HZ3 LYS 48 2HZ LYS 48 33.318 10.615 -8.248 403 H LEU 49 H LEU 49 25.576 10.718 -9.585 404 HA LEU 49 HA LEU 49 24.868 7.951 -9.588 405 HB2 LEU 49 2HB LEU 49 24.644 9.541 -7.652 406 HB3 LEU 49 3HB LEU 49 23.264 10.250 -8.488 407 HG LEU 49 HG LEU 49 22.144 8.024 -8.385 408 HD11 LEU 49 1HD1 LEU 49 23.988 6.540 -8.175 409 HD12 LEU 49 2HD1 LEU 49 23.061 6.432 -6.679 410 HD13 LEU 49 3HD1 LEU 49 24.562 7.357 -6.721 411 HD21 LEU 49 3HD2 LEU 49 21.320 9.433 -6.776 412 HD22 LEU 49 1HD2 LEU 49 22.884 9.622 -5.983 413 HD23 LEU 49 2HD2 LEU 49 21.960 8.135 -5.767 414 H LYS 50 H LYS 50 23.671 10.827 -11.180 415 HA LYS 50 HA LYS 50 21.193 9.783 -12.051 416 HB2 LYS 50 2HB LYS 50 22.941 12.013 -13.082 417 HB3 LYS 50 3HB LYS 50 21.391 11.616 -13.811 418 HG2 LYS 50 2HG LYS 50 20.531 11.862 -11.342 419 HG3 LYS 50 3HG LYS 50 21.989 12.843 -11.170 420 HD2 LYS 50 2HD LYS 50 21.130 13.972 -13.368 421 HD3 LYS 50 3HD LYS 50 19.574 13.306 -12.868 422 HE2 LYS 50 2HE LYS 50 19.425 14.667 -11.040 423 HE3 LYS 50 3HE LYS 50 21.174 14.772 -10.840 424 HZ1 LYS 50 3HZ LYS 50 20.180 15.971 -13.269 425 HZ2 LYS 50 1HZ LYS 50 21.290 16.570 -12.140 426 HZ3 LYS 50 2HZ LYS 50 19.629 16.722 -11.856 427 H LYS 51 H LYS 51 24.410 9.862 -13.522 428 HA LYS 51 HA LYS 51 23.644 8.735 -16.002 429 HB2 LYS 51 2HB LYS 51 26.032 9.675 -14.792 430 HB3 LYS 51 3HB LYS 51 26.345 8.038 -15.356 431 HG2 LYS 51 2HG LYS 51 25.885 8.594 -17.581 432 HG3 LYS 51 3HG LYS 51 25.078 10.098 -17.129 433 HD2 LYS 51 2HD LYS 51 27.246 10.973 -16.322 434 HD3 LYS 51 3HD LYS 51 28.025 9.490 -16.880 435 HE2 LYS 51 2HE LYS 51 26.362 10.907 -18.862 436 HE3 LYS 51 3HE LYS 51 27.833 11.737 -18.357 437 HZ1 LYS 51 3HZ LYS 51 27.527 9.225 -19.828 438 HZ2 LYS 51 1HZ LYS 51 28.857 9.377 -18.794 439 HZ3 LYS 51 2HZ LYS 51 28.637 10.481 -20.057 440 H LEU 52 H LEU 52 24.447 7.369 -12.899 441 HA LEU 52 HA LEU 52 25.072 4.754 -13.629 442 HB2 LEU 52 2HB LEU 52 25.384 5.554 -11.377 443 HB3 LEU 52 3HB LEU 52 23.649 5.795 -11.186 444 HG LEU 52 HG LEU 52 24.547 3.042 -11.798 445 HD11 LEU 52 1HD1 LEU 52 25.115 4.427 -9.189 446 HD12 LEU 52 2HD1 LEU 52 26.248 3.568 -10.231 447 HD13 LEU 52 3HD1 LEU 52 25.004 2.675 -9.356 448 HD21 LEU 52 3HD2 LEU 52 22.786 2.532 -10.143 449 HD22 LEU 52 1HD2 LEU 52 22.201 3.520 -11.482 450 HD23 LEU 52 2HD2 LEU 52 22.530 4.263 -9.917 451 H ALA 53 H ALA 53 22.083 6.430 -13.763 452 HA ALA 53 HA ALA 53 20.225 4.376 -13.488 453 HB1 ALA 53 1HB ALA 53 20.021 7.000 -13.961 454 HB2 ALA 53 2HB ALA 53 19.688 6.390 -15.583 455 HB3 ALA 53 3HB ALA 53 18.692 5.870 -14.223 456 H GLU 54 H GLU 54 22.526 4.943 -15.973 457 HA GLU 54 HA GLU 54 21.162 3.496 -18.040 458 HB2 GLU 54 2HB GLU 54 22.810 5.214 -18.594 459 HB3 GLU 54 3HB GLU 54 24.066 4.295 -17.777 460 HG2 GLU 54 2HG GLU 54 22.556 3.006 -19.991 461 HG3 GLU 54 3HG GLU 54 23.792 4.202 -20.378 462 H GLU 55 H GLU 55 23.891 2.781 -15.873 463 HA GLU 55 HA GLU 55 24.380 0.175 -16.771 464 HB2 GLU 55 2HB GLU 55 25.887 0.040 -15.068 465 HB3 GLU 55 3HB GLU 55 25.635 1.780 -15.046 466 HG2 GLU 55 2HG GLU 55 23.939 1.462 -13.268 467 HG3 GLU 55 3HG GLU 55 24.350 -0.252 -13.239 468 H PHE 56 H PHE 56 21.992 1.451 -14.573 469 HA PHE 56 HA PHE 56 20.493 -0.989 -14.674 470 HB2 PHE 56 2HB PHE 56 22.276 -1.298 -12.831 471 HB3 PHE 56 3HB PHE 56 21.325 -0.136 -11.911 472 HD1 PHE 56 HD1 PHE 56 20.238 -1.263 -10.229 473 HD2 PHE 56 HD2 PHE 56 20.335 -2.963 -14.129 474 HE1 PHE 56 HE1 PHE 56 18.757 -3.076 -9.471 475 HE2 PHE 56 HE2 PHE 56 18.854 -4.779 -13.379 476 HZ PHE 56 HZ PHE 56 18.062 -4.837 -11.047 477 HA PRO 57 HA PRO 57 18.003 2.865 -14.244 478 HB2 PRO 57 2HB PRO 57 16.179 2.149 -16.124 479 HB3 PRO 57 3HB PRO 57 17.706 2.947 -16.521 480 HG2 PRO 57 2HG PRO 57 16.993 0.043 -16.665 481 HG3 PRO 57 3HG PRO 57 17.898 1.031 -17.826 482 HD2 PRO 57 2HD PRO 57 19.115 -0.632 -16.070 483 HD3 PRO 57 3HD PRO 57 19.855 0.886 -16.616 484 H ASP 58 H ASP 58 17.551 -0.442 -13.698 485 HA ASP 58 HA ASP 58 14.816 -0.621 -13.139 486 HB2 ASP 58 2HB ASP 58 15.732 -2.710 -13.120 487 HB3 ASP 58 3HB ASP 58 17.242 -2.158 -12.401 488 H VAL 59 H VAL 59 17.536 0.147 -10.980 489 HA VAL 59 HA VAL 59 15.929 0.546 -8.676 490 HB VAL 59 HB VAL 59 18.402 0.083 -8.665 491 HG11 VAL 59 1HG1 VAL 59 19.928 1.971 -8.900 492 HG12 VAL 59 2HG1 VAL 59 19.043 1.686 -10.400 493 HG13 VAL 59 3HG1 VAL 59 18.580 3.018 -9.340 494 HG21 VAL 59 3HG2 VAL 59 18.842 1.469 -6.702 495 HG22 VAL 59 1HG2 VAL 59 17.473 2.501 -7.118 496 HG23 VAL 59 2HG2 VAL 59 17.203 0.818 -6.663 497 H ASP 60 H ASP 60 15.083 2.382 -7.784 498 HA ASP 60 HA ASP 60 14.792 4.656 -9.593 499 HB2 ASP 60 2HB ASP 60 12.919 5.311 -8.259 500 HB3 ASP 60 3HB ASP 60 12.797 3.571 -8.501 501 H ILE 61 H ILE 61 14.583 6.844 -8.345 502 HA ILE 61 HA ILE 61 16.827 7.062 -6.447 503 HB ILE 61 HB ILE 61 16.172 8.963 -8.701 504 HG12 ILE 61 2HG1 ILE 61 18.890 7.981 -8.569 505 HG13 ILE 61 3HG1 ILE 61 17.750 6.643 -8.653 506 HG21 ILE 61 1HG2 ILE 61 18.416 9.978 -7.833 507 HG22 ILE 61 2HG2 ILE 61 16.891 10.404 -7.059 508 HG23 ILE 61 3HG2 ILE 61 17.950 9.204 -6.319 509 HD11 ILE 61 3HD1 ILE 61 17.635 6.947 -10.836 510 HD12 ILE 61 1HD1 ILE 61 16.895 8.521 -10.550 511 HD13 ILE 61 2HD1 ILE 61 18.645 8.388 -10.725 512 H TYR 62 H TYR 62 16.593 8.490 -4.765 513 HA TYR 62 HA TYR 62 14.081 10.007 -4.614 514 HB2 TYR 62 2HB TYR 62 13.991 7.798 -3.347 515 HB3 TYR 62 3HB TYR 62 15.199 8.481 -2.263 516 HD1 TYR 62 HD1 TYR 62 11.776 7.999 -2.743 517 HD2 TYR 62 HD2 TYR 62 14.552 10.901 -1.337 518 HE1 TYR 62 HE1 TYR 62 9.987 9.068 -1.435 519 HE2 TYR 62 HE2 TYR 62 12.772 11.977 -0.024 520 HH TYR 62 HH TYR 62 9.435 10.762 -0.111 521 H LEU 63 H LEU 63 14.573 12.076 -4.374 522 HA LEU 63 HA LEU 63 17.066 12.807 -3.009 523 HB2 LEU 63 2HB LEU 63 15.550 13.891 -5.247 524 HB3 LEU 63 3HB LEU 63 16.016 15.121 -4.074 525 HG LEU 63 HG LEU 63 18.070 13.228 -5.145 526 HD11 LEU 63 1HD1 LEU 63 17.588 15.827 -6.516 527 HD12 LEU 63 2HD1 LEU 63 16.621 14.425 -6.973 528 HD13 LEU 63 3HD1 LEU 63 18.378 14.366 -7.109 529 HD21 LEU 63 3HD2 LEU 63 18.743 14.624 -3.315 530 HD22 LEU 63 1HD2 LEU 63 18.101 16.060 -4.113 531 HD23 LEU 63 2HD2 LEU 63 19.503 15.230 -4.787 532 H VAL 64 H VAL 64 17.100 14.138 -1.247 533 HA VAL 64 HA VAL 64 14.518 15.088 -0.208 534 HB VAL 64 HB VAL 64 16.653 13.874 1.543 535 HG11 VAL 64 1HG1 VAL 64 13.824 14.780 2.033 536 HG12 VAL 64 2HG1 VAL 64 14.749 13.805 3.177 537 HG13 VAL 64 3HG1 VAL 64 15.303 15.423 2.745 538 HG21 VAL 64 3HG2 VAL 64 14.667 12.573 -0.102 539 HG22 VAL 64 1HG2 VAL 64 15.964 11.869 0.865 540 HG23 VAL 64 2HG2 VAL 64 14.406 12.229 1.608 541 H ASP 65 H ASP 65 14.543 17.053 0.794 542 HA ASP 65 HA ASP 65 17.130 18.463 0.823 543 HB2 ASP 65 2HB ASP 65 15.352 20.490 0.827 544 HB3 ASP 65 3HB ASP 65 16.001 19.779 -0.648 545 H THR 66 H THR 66 17.896 18.726 2.805 546 HA THR 66 HA THR 66 16.586 18.273 5.185 547 HB THR 66 HB THR 66 18.415 20.125 5.978 548 HG1 THR 66 HG1 THR 66 19.703 20.584 4.374 549 HG21 THR 66 3HG2 THR 66 19.501 17.481 5.173 550 HG22 THR 66 1HG2 THR 66 18.126 17.495 6.277 551 HG23 THR 66 2HG2 THR 66 19.617 18.330 6.714 552 H SER 67 H SER 67 16.572 21.128 3.199 553 HA SER 67 HA SER 67 15.809 23.088 4.994 554 HB2 SER 67 2HB SER 67 16.118 22.981 2.286 555 HB3 SER 67 3HB SER 67 14.370 23.164 2.421 556 HG SER 67 HG SER 67 14.768 25.189 2.766 557 H THR 68 H THR 68 13.980 20.420 3.733 558 HA THR 68 HA THR 68 11.484 21.482 4.831 559 HB THR 68 HB THR 68 10.438 19.467 3.786 560 HG1 THR 68 HG1 THR 68 12.937 19.088 2.491 561 HG21 THR 68 3HG2 THR 68 10.121 20.697 1.947 562 HG22 THR 68 1HG2 THR 68 11.808 20.529 1.462 563 HG23 THR 68 2HG2 THR 68 11.335 21.807 2.583 564 H ASN 69 H ASN 69 13.905 19.045 5.401 565 HA ASN 69 HA ASN 69 12.430 18.208 7.809 566 HB2 ASN 69 2HB ASN 69 13.414 15.965 7.559 567 HB3 ASN 69 3HB ASN 69 12.424 16.392 6.167 568 HD21 ASN 69 2HD2 ASN 69 16.109 15.176 5.583 569 HD22 ASN 69 1HD2 ASN 69 15.150 14.898 6.993 570 HA PRO 70 HA PRO 70 16.633 19.972 8.864 571 HB2 PRO 70 2HB PRO 70 15.717 21.758 10.692 572 HB3 PRO 70 3HB PRO 70 15.850 22.129 8.969 573 HG2 PRO 70 2HG PRO 70 13.442 21.317 10.551 574 HG3 PRO 70 3HG PRO 70 13.592 22.571 9.305 575 HD2 PRO 70 2HD PRO 70 12.538 20.129 8.795 576 HD3 PRO 70 3HD PRO 70 13.446 21.051 7.579 577 H GLU 71 H GLU 71 13.860 19.364 11.016 578 HA GLU 71 HA GLU 71 15.434 18.726 13.286 579 HB2 GLU 71 2HB GLU 71 12.579 18.602 12.547 580 HB3 GLU 71 3HB GLU 71 13.087 17.451 13.775 581 HG2 GLU 71 2HG GLU 71 13.835 20.327 14.035 582 HG3 GLU 71 3HG GLU 71 12.212 19.793 14.466 583 H ALA 72 H ALA 72 14.209 16.868 10.595 584 HA ALA 72 HA ALA 72 14.353 14.284 11.542 585 HB1 ALA 72 1HB ALA 72 15.045 13.729 9.122 586 HB2 ALA 72 2HB ALA 72 13.488 14.512 9.397 587 HB3 ALA 72 3HB ALA 72 14.866 15.460 8.836 588 H ARG 73 H ARG 73 16.980 16.296 10.267 589 HA ARG 73 HA ARG 73 19.028 14.450 10.209 590 HB2 ARG 73 2HB ARG 73 18.878 17.392 10.584 591 HB3 ARG 73 3HB ARG 73 20.398 16.615 11.006 592 HG2 ARG 73 2HG ARG 73 19.288 15.805 8.416 593 HG3 ARG 73 3HG ARG 73 19.750 17.504 8.532 594 HD2 ARG 73 2HD ARG 73 21.799 15.971 9.744 595 HD3 ARG 73 3HD ARG 73 21.413 15.215 8.198 596 HE ARG 73 HE ARG 73 22.286 17.044 7.115 597 HH11 ARG 73 1HH1 ARG 73 21.891 17.768 10.498 598 HH12 ARG 73 2HH1 ARG 73 22.768 19.259 10.415 599 HH21 ARG 73 2HH2 ARG 73 23.649 19.963 8.421 600 HH22 ARG 73 1HH2 ARG 73 23.443 19.006 6.993 601 H GLU 74 H GLU 74 18.468 16.725 12.905 602 HA GLU 74 HA GLU 74 20.201 15.460 14.701 603 HB2 GLU 74 2HB GLU 74 17.782 17.194 15.220 604 HB3 GLU 74 3HB GLU 74 18.928 16.707 16.461 605 HG2 GLU 74 2HG GLU 74 20.465 18.200 15.814 606 HG3 GLU 74 3HG GLU 74 20.140 17.948 14.100 607 H TRP 75 H TRP 75 16.883 14.811 13.858 608 HA TRP 75 HA TRP 75 16.001 13.343 16.022 609 HB2 TRP 75 2HB TRP 75 14.846 13.971 13.744 610 HB3 TRP 75 3HB TRP 75 15.396 12.371 13.255 611 HD1 TRP 75 HD1 TRP 75 12.847 14.113 15.468 612 HE1 TRP 75 HE1 TRP 75 11.187 12.366 16.371 613 HE3 TRP 75 HE3 TRP 75 15.228 9.859 13.929 614 HZ2 TRP 75 HZ2 TRP 75 10.922 9.556 16.425 615 HZ3 TRP 75 HZ3 TRP 75 14.205 7.682 14.447 616 HH2 TRP 75 HH2 TRP 75 12.097 7.536 15.670 617 H TYR 76 H TYR 76 18.245 12.425 13.501 618 HA TYR 76 HA TYR 76 18.688 9.877 14.909 619 HB2 TYR 76 2HB TYR 76 17.493 9.608 12.701 620 HB3 TYR 76 3HB TYR 76 18.937 10.241 11.920 621 HD1 TYR 76 HD1 TYR 76 18.094 7.636 14.474 622 HD2 TYR 76 HD2 TYR 76 20.359 8.671 11.025 623 HE1 TYR 76 HE1 TYR 76 19.055 5.373 14.434 624 HE2 TYR 76 HE2 TYR 76 21.326 6.410 10.974 625 HH TYR 76 HH TYR 76 20.382 3.954 13.362 626 H ASN 77 H ASN 77 19.970 12.725 14.579 627 HA ASN 77 HA ASN 77 22.059 13.637 14.512 628 HB2 ASN 77 2HB ASN 77 23.309 11.064 15.325 629 HB3 ASN 77 3HB ASN 77 23.517 12.678 15.997 630 HD21 ASN 77 2HD2 ASN 77 20.953 12.393 18.355 631 HD22 ASN 77 1HD2 ASN 77 21.986 13.465 17.478 632 H ILE 78 H ILE 78 22.282 13.923 12.291 633 HA ILE 78 HA ILE 78 23.806 11.837 10.876 634 HB ILE 78 HB ILE 78 21.805 13.845 9.924 635 HG12 ILE 78 2HG1 ILE 78 22.311 10.957 9.177 636 HG13 ILE 78 3HG1 ILE 78 21.181 11.482 10.421 637 HG21 ILE 78 1HG2 ILE 78 24.079 12.711 8.318 638 HG22 ILE 78 2HG2 ILE 78 22.588 13.292 7.577 639 HG23 ILE 78 3HG2 ILE 78 23.602 14.399 8.502 640 HD11 ILE 78 3HD1 ILE 78 19.601 11.844 8.918 641 HD12 ILE 78 1HD1 ILE 78 20.674 12.849 7.943 642 HD13 ILE 78 2HD1 ILE 78 20.659 11.100 7.720 643 H THR 79 H THR 79 25.896 12.259 10.701 644 HA THR 79 HA THR 79 26.830 15.029 10.803 645 HB THR 79 HB THR 79 29.122 13.907 10.947 646 HG1 THR 79 HG1 THR 79 28.752 11.655 11.867 647 HG21 THR 79 3HG2 THR 79 28.984 13.765 13.259 648 HG22 THR 79 1HG2 THR 79 27.365 13.067 13.223 649 HG23 THR 79 2HG2 THR 79 27.597 14.779 12.864 650 H SER 80 H SER 80 26.889 12.180 8.732 651 HA SER 80 HA SER 80 28.367 13.655 6.682 652 HB2 SER 80 2HB SER 80 27.830 11.148 5.641 653 HB3 SER 80 3HB SER 80 29.316 11.624 6.463 654 HG SER 80 HG SER 80 27.024 10.451 7.661 655 H VAL 81 H VAL 81 26.736 15.102 6.043 656 HA VAL 81 HA VAL 81 24.141 14.813 5.479 657 HB VAL 81 HB VAL 81 25.317 16.008 3.134 658 HG11 VAL 81 1HG1 VAL 81 24.058 17.889 3.793 659 HG12 VAL 81 2HG1 VAL 81 23.118 16.487 4.310 660 HG13 VAL 81 3HG1 VAL 81 24.064 17.399 5.487 661 HG21 VAL 81 3HG2 VAL 81 26.425 16.968 5.772 662 HG22 VAL 81 1HG2 VAL 81 27.341 16.124 4.523 663 HG23 VAL 81 2HG2 VAL 81 26.672 17.723 4.198 664 HA PRO 82 HA PRO 82 24.901 12.725 1.187 665 HB2 PRO 82 2HB PRO 82 27.421 11.872 0.647 666 HB3 PRO 82 3HB PRO 82 26.848 13.494 0.241 667 HG2 PRO 82 2HG PRO 82 28.492 12.595 2.576 668 HG3 PRO 82 3HG PRO 82 28.690 14.031 1.555 669 HD2 PRO 82 2HD PRO 82 27.530 14.130 4.000 670 HD3 PRO 82 3HD PRO 82 27.049 15.205 2.672 671 H THR 83 H THR 83 23.736 11.023 2.031 672 HA THR 83 HA THR 83 25.317 8.673 2.814 673 HB THR 83 HB THR 83 22.661 9.176 4.114 674 HG1 THR 83 HG1 THR 83 23.988 10.035 5.906 675 HG21 THR 83 3HG2 THR 83 24.912 7.311 4.391 676 HG22 THR 83 1HG2 THR 83 23.210 7.101 4.799 677 HG23 THR 83 2HG2 THR 83 24.288 7.939 5.916 678 H PHE 84 H PHE 84 24.150 6.626 2.542 679 HA PHE 84 HA PHE 84 22.020 6.790 0.517 680 HB2 PHE 84 2HB PHE 84 24.622 5.375 0.413 681 HB3 PHE 84 3HB PHE 84 23.227 4.485 -0.190 682 HD1 PHE 84 HD1 PHE 84 25.009 7.727 -0.534 683 HD2 PHE 84 HD2 PHE 84 22.462 4.840 -2.349 684 HE1 PHE 84 HE1 PHE 84 25.174 8.931 -2.673 685 HE2 PHE 84 HE2 PHE 84 22.623 6.039 -4.491 686 HZ PHE 84 HZ PHE 84 23.981 8.087 -4.656 687 H VAL 85 H VAL 85 20.231 5.982 1.378 688 HA VAL 85 HA VAL 85 20.458 3.650 3.169 689 HB VAL 85 HB VAL 85 18.147 5.584 3.112 690 HG11 VAL 85 1HG1 VAL 85 17.350 4.499 4.975 691 HG12 VAL 85 2HG1 VAL 85 18.084 3.156 4.096 692 HG13 VAL 85 3HG1 VAL 85 18.942 3.904 5.443 693 HG21 VAL 85 3HG2 VAL 85 19.108 6.637 5.095 694 HG22 VAL 85 1HG2 VAL 85 20.534 5.608 4.958 695 HG23 VAL 85 2HG2 VAL 85 20.184 6.802 3.707 696 H ILE 86 H ILE 86 19.773 1.816 2.302 697 HA ILE 86 HA ILE 86 17.861 1.912 0.079 698 HB ILE 86 HB ILE 86 19.304 -0.574 0.925 699 HG12 ILE 86 2HG1 ILE 86 20.428 1.593 -0.863 700 HG13 ILE 86 3HG1 ILE 86 21.017 1.188 0.745 701 HG21 ILE 86 1HG2 ILE 86 17.594 0.230 -1.224 702 HG22 ILE 86 2HG2 ILE 86 19.158 -0.268 -1.866 703 HG23 ILE 86 3HG2 ILE 86 18.232 -1.370 -0.848 704 HD11 ILE 86 3HD1 ILE 86 21.160 -1.220 -0.479 705 HD12 ILE 86 1HD1 ILE 86 21.486 -0.130 -1.826 706 HD13 ILE 86 2HD1 ILE 86 22.489 -0.065 -0.376 707 H GLU 87 H GLU 87 15.822 1.296 0.355 708 HA GLU 87 HA GLU 87 15.161 -0.329 2.724 709 HB2 GLU 87 2HB GLU 87 12.939 0.812 2.686 710 HB3 GLU 87 3HB GLU 87 14.286 1.881 3.051 711 HG2 GLU 87 2HG GLU 87 13.001 3.113 1.574 712 HG3 GLU 87 3HG GLU 87 14.266 2.437 0.549 713 H LYS 88 H LYS 88 12.841 -1.305 2.404 714 HA LYS 88 HA LYS 88 12.058 -2.012 -0.237 715 HB2 LYS 88 2HB LYS 88 14.114 -3.388 -0.025 716 HB3 LYS 88 3HB LYS 88 13.411 -4.181 1.379 717 HG2 LYS 88 2HG LYS 88 11.654 -4.265 -0.929 718 HG3 LYS 88 3HG LYS 88 13.221 -5.016 -1.239 719 HD2 LYS 88 2HD LYS 88 12.736 -6.773 0.053 720 HD3 LYS 88 3HD LYS 88 12.146 -5.743 1.360 721 HE2 LYS 88 2HE LYS 88 10.449 -6.059 -1.062 722 HE3 LYS 88 3HE LYS 88 10.550 -7.412 0.064 723 HZ1 LYS 88 3HZ LYS 88 9.261 -4.840 0.379 724 HZ2 LYS 88 1HZ LYS 88 10.130 -5.365 1.732 725 HZ3 LYS 88 2HZ LYS 88 8.896 -6.329 1.093 726 H GLY 89 H GLY 89 9.947 -1.743 0.212 727 HA2 GLY 89 2HA GLY 89 7.879 -2.654 0.862 728 HA3 GLY 89 3HA GLY 89 8.715 -3.653 2.042 729 H GLY 90 H GLY 90 10.175 -1.656 3.373 730 HA2 GLY 90 2HA GLY 90 9.123 0.644 4.213 731 HA3 GLY 90 3HA GLY 90 8.021 -0.504 4.957 732 H GLU 91 H GLU 91 11.556 -0.445 4.505 733 HA GLU 91 HA GLU 91 12.233 0.104 7.153 734 HB2 GLU 91 2HB GLU 91 11.377 -2.632 6.687 735 HB3 GLU 91 3HB GLU 91 13.031 -2.564 7.278 736 HG2 GLU 91 2HG GLU 91 12.409 -1.925 9.328 737 HG3 GLU 91 3HG GLU 91 11.161 -0.838 8.722 738 HA PRO 92 HA PRO 92 16.239 0.288 5.375 739 HB2 PRO 92 2HB PRO 92 17.835 -0.233 7.508 740 HB3 PRO 92 3HB PRO 92 16.946 1.283 7.321 741 HG2 PRO 92 2HG PRO 92 16.258 -1.127 8.958 742 HG3 PRO 92 3HG PRO 92 16.135 0.589 9.387 743 HD2 PRO 92 2HD PRO 92 13.996 -0.873 8.602 744 HD3 PRO 92 3HD PRO 92 14.148 0.860 8.251 745 H LEU 93 H LEU 93 17.282 -1.093 4.094 746 HA LEU 93 HA LEU 93 17.562 -3.890 4.974 747 HB2 LEU 93 2HB LEU 93 16.118 -3.479 2.986 748 HB3 LEU 93 3HB LEU 93 17.531 -2.838 2.150 749 HG LEU 93 HG LEU 93 18.598 -5.111 2.499 750 HD11 LEU 93 1HD1 LEU 93 15.935 -6.335 2.710 751 HD12 LEU 93 2HD1 LEU 93 16.534 -5.572 4.182 752 HD13 LEU 93 3HD1 LEU 93 17.479 -6.839 3.399 753 HD21 LEU 93 3HD2 LEU 93 16.147 -5.422 0.839 754 HD22 LEU 93 1HD2 LEU 93 17.822 -5.830 0.469 755 HD23 LEU 93 2HD2 LEU 93 17.295 -4.147 0.428 756 H GLY 94 H GLY 94 19.179 -1.164 3.436 757 HA2 GLY 94 2HA GLY 94 21.750 -2.497 3.997 758 HA3 GLY 94 3HA GLY 94 21.470 -1.708 2.452 759 H GLU 95 H GLU 95 23.529 -0.647 3.331 760 HA GLU 95 HA GLU 95 22.857 2.000 4.129 761 HB2 GLU 95 2HB GLU 95 23.878 2.116 6.271 762 HB3 GLU 95 3HB GLU 95 22.780 0.744 6.318 763 HG2 GLU 95 2HG GLU 95 25.034 -0.501 5.562 764 HG3 GLU 95 3HG GLU 95 25.718 0.830 6.493 765 H VAL 96 H VAL 96 24.361 3.386 3.397 766 HA VAL 96 HA VAL 96 27.111 2.493 3.016 767 HB VAL 96 HB VAL 96 25.443 3.584 0.745 768 HG11 VAL 96 1HG1 VAL 96 27.703 4.472 0.685 769 HG12 VAL 96 2HG1 VAL 96 28.366 2.844 0.847 770 HG13 VAL 96 3HG1 VAL 96 27.473 3.294 -0.607 771 HG21 VAL 96 3HG2 VAL 96 26.662 0.869 1.224 772 HG22 VAL 96 1HG2 VAL 96 24.949 1.266 1.088 773 HG23 VAL 96 2HG2 VAL 96 26.000 1.399 -0.322 774 H LYS 97 H LYS 97 28.615 4.151 2.973 775 HA LYS 97 HA LYS 97 27.707 6.911 2.981 776 HB2 LYS 97 2HB LYS 97 28.486 7.480 5.126 777 HB3 LYS 97 3HB LYS 97 27.590 5.985 5.364 778 HG2 LYS 97 2HG LYS 97 29.941 4.881 5.049 779 HG3 LYS 97 3HG LYS 97 30.522 6.484 5.505 780 HD2 LYS 97 2HD LYS 97 28.619 4.767 7.100 781 HD3 LYS 97 3HD LYS 97 30.330 5.023 7.455 782 HE2 LYS 97 2HE LYS 97 29.434 6.590 8.842 783 HE3 LYS 97 3HE LYS 97 29.578 7.564 7.379 784 HZ1 LYS 97 3HZ LYS 97 27.367 7.690 7.150 785 HZ2 LYS 97 1HZ LYS 97 27.322 7.285 8.792 786 HZ3 LYS 97 2HZ LYS 97 27.104 6.086 7.619 787 H GLY 98 H GLY 98 29.203 8.284 2.166 788 HA2 GLY 98 2HA GLY 98 31.511 8.982 1.918 789 HA3 GLY 98 3HA GLY 98 31.964 7.284 1.885 790 HA PRO 99 HA PRO 99 31.341 9.126 -2.455 791 HB2 PRO 99 2HB PRO 99 33.953 9.301 -3.176 792 HB3 PRO 99 3HB PRO 99 33.080 10.627 -2.399 793 HG2 PRO 99 2HG PRO 99 34.945 8.622 -1.190 794 HG3 PRO 99 3HG PRO 99 34.840 10.368 -0.902 795 HD2 PRO 99 2HD PRO 99 33.773 8.545 0.792 796 HD3 PRO 99 3HD PRO 99 33.056 10.150 0.542 797 H ASP 100 H ASP 100 30.509 6.987 -2.787 798 HA ASP 100 HA ASP 100 32.464 5.221 -4.070 799 HB2 ASP 100 2HB ASP 100 31.557 3.248 -3.023 800 HB3 ASP 100 3HB ASP 100 32.020 4.384 -1.759 801 H ILE 101 H ILE 101 30.865 6.951 -5.439 802 HA ILE 101 HA ILE 101 28.337 6.033 -6.191 803 HB ILE 101 HB ILE 101 30.382 7.676 -7.664 804 HG12 ILE 101 2HG1 ILE 101 29.242 8.685 -5.715 805 HG13 ILE 101 3HG1 ILE 101 28.825 9.499 -7.219 806 HG21 ILE 101 1HG2 ILE 101 27.836 6.520 -8.653 807 HG22 ILE 101 2HG2 ILE 101 28.205 8.187 -9.094 808 HG23 ILE 101 3HG2 ILE 101 29.325 6.894 -9.521 809 HD11 ILE 101 3HD1 ILE 101 27.142 7.572 -5.647 810 HD12 ILE 101 1HD1 ILE 101 26.843 9.285 -5.940 811 HD13 ILE 101 2HD1 ILE 101 26.733 8.130 -7.269 812 H ASP 102 H ASP 102 31.522 5.003 -7.155 813 HA ASP 102 HA ASP 102 30.612 3.487 -9.428 814 HB2 ASP 102 2HB ASP 102 33.132 4.316 -8.348 815 HB3 ASP 102 3HB ASP 102 33.160 2.571 -8.584 816 H LYS 103 H LYS 103 31.702 2.746 -6.134 817 HA LYS 103 HA LYS 103 31.351 -0.069 -6.396 818 HB2 LYS 103 2HB LYS 103 32.699 1.424 -4.641 819 HB3 LYS 103 3HB LYS 103 31.216 1.223 -3.718 820 HG2 LYS 103 2HG LYS 103 31.446 -1.142 -3.706 821 HG3 LYS 103 3HG LYS 103 32.767 -1.078 -4.875 822 HD2 LYS 103 2HD LYS 103 33.996 0.329 -3.118 823 HD3 LYS 103 3HD LYS 103 32.769 -0.249 -1.988 824 HE2 LYS 103 2HE LYS 103 33.413 -2.517 -2.334 825 HE3 LYS 103 3HE LYS 103 34.452 -2.079 -3.689 826 HZ1 LYS 103 3HZ LYS 103 35.680 -0.674 -1.944 827 HZ2 LYS 103 1HZ LYS 103 35.928 -2.348 -1.951 828 HZ3 LYS 103 2HZ LYS 103 34.896 -1.650 -0.807 829 H LEU 104 H LEU 104 29.208 2.534 -5.873 830 HA LEU 104 HA LEU 104 27.220 1.448 -4.283 831 HB2 LEU 104 2HB LEU 104 27.353 3.784 -5.195 832 HB3 LEU 104 3HB LEU 104 26.737 3.150 -6.719 833 HG LEU 104 HG LEU 104 24.821 2.274 -5.038 834 HD11 LEU 104 1HD1 LEU 104 26.155 3.604 -3.228 835 HD12 LEU 104 2HD1 LEU 104 24.394 3.673 -3.267 836 HD13 LEU 104 3HD1 LEU 104 25.343 4.998 -3.941 837 HD21 LEU 104 3HD2 LEU 104 24.199 4.980 -5.724 838 HD22 LEU 104 1HD2 LEU 104 23.626 3.484 -6.462 839 HD23 LEU 104 2HD2 LEU 104 25.115 4.237 -7.036 840 H ARG 105 H ARG 105 27.892 0.923 -7.695 841 HA ARG 105 HA ARG 105 25.532 -0.397 -8.409 842 HB2 ARG 105 2HB ARG 105 26.693 -1.170 -10.327 843 HB3 ARG 105 3HB ARG 105 27.373 0.407 -9.948 844 HG2 ARG 105 2HG ARG 105 29.190 -0.879 -8.693 845 HG3 ARG 105 3HG ARG 105 28.589 -2.301 -9.548 846 HD2 ARG 105 2HD ARG 105 28.886 -0.980 -11.684 847 HD3 ARG 105 3HD ARG 105 29.755 0.213 -10.720 848 HE ARG 105 HE ARG 105 31.565 -1.169 -10.756 849 HH11 ARG 105 1HH1 ARG 105 28.717 -3.058 -11.421 850 HH12 ARG 105 2HH1 ARG 105 29.599 -4.516 -11.737 851 HH21 ARG 105 2HH2 ARG 105 31.886 -4.528 -11.594 852 HH22 ARG 105 1HH2 ARG 105 32.737 -3.081 -11.170 853 H GLU 106 H GLU 106 28.389 -1.520 -6.730 854 HA GLU 106 HA GLU 106 27.501 -4.290 -6.823 855 HB2 GLU 106 2HB GLU 106 29.838 -3.295 -5.221 856 HB3 GLU 106 3HB GLU 106 29.593 -4.876 -5.950 857 HG2 GLU 106 2HG GLU 106 29.647 -3.494 -8.182 858 HG3 GLU 106 3HG GLU 106 30.530 -2.340 -7.184 859 H THR 107 H THR 107 27.955 -1.696 -4.460 860 HA THR 107 HA THR 107 27.286 -3.152 -2.158 861 HB THR 107 HB THR 107 26.566 -0.253 -2.425 862 HG1 THR 107 HG1 THR 107 29.220 -1.144 -1.955 863 HG21 THR 107 3HG2 THR 107 27.868 -0.438 -0.122 864 HG22 THR 107 1HG2 THR 107 27.392 -2.129 -0.269 865 HG23 THR 107 2HG2 THR 107 26.162 -0.865 -0.257 866 H LEU 108 H LEU 108 25.298 -1.549 -4.564 867 HA LEU 108 HA LEU 108 22.865 -1.940 -3.041 868 HB2 LEU 108 2HB LEU 108 21.884 -0.527 -4.496 869 HB3 LEU 108 3HB LEU 108 23.555 -0.077 -4.826 870 HG LEU 108 HG LEU 108 23.308 -1.967 -6.672 871 HD11 LEU 108 1HD1 LEU 108 20.924 -1.509 -7.644 872 HD12 LEU 108 2HD1 LEU 108 20.519 -1.192 -5.957 873 HD13 LEU 108 3HD1 LEU 108 21.169 -2.763 -6.428 874 HD21 LEU 108 3HD2 LEU 108 23.581 -0.221 -8.023 875 HD22 LEU 108 1HD2 LEU 108 23.332 0.813 -6.615 876 HD23 LEU 108 2HD2 LEU 108 21.970 0.398 -7.657 877 H ASP 109 H ASP 109 24.688 -3.591 -5.461 878 HA ASP 109 HA ASP 109 22.516 -5.234 -6.391 879 HB2 ASP 109 2HB ASP 109 24.125 -5.039 -8.036 880 HB3 ASP 109 3HB ASP 109 25.458 -5.100 -6.886 881 H GLU 110 H GLU 110 25.355 -5.728 -4.309 882 HA GLU 110 HA GLU 110 24.985 -8.411 -3.715 883 HB2 GLU 110 2HB GLU 110 26.033 -6.266 -1.860 884 HB3 GLU 110 3HB GLU 110 26.297 -7.996 -1.689 885 HG2 GLU 110 2HG GLU 110 27.116 -6.782 -4.252 886 HG3 GLU 110 3HG GLU 110 28.059 -6.348 -2.828 887 H LEU 111 H LEU 111 23.187 -5.660 -2.672 888 HA LEU 111 HA LEU 111 21.870 -7.179 -0.546 889 HB2 LEU 111 2HB LEU 111 22.404 -5.051 0.223 890 HB3 LEU 111 3HB LEU 111 21.964 -4.286 -1.303 891 HG LEU 111 HG LEU 111 19.793 -5.575 0.261 892 HD11 LEU 111 1HD1 LEU 111 21.412 -3.275 1.200 893 HD12 LEU 111 2HD1 LEU 111 20.538 -4.500 2.119 894 HD13 LEU 111 3HD1 LEU 111 19.659 -3.169 1.366 895 HD21 LEU 111 3HD2 LEU 111 20.150 -3.337 -1.664 896 HD22 LEU 111 1HD2 LEU 111 18.810 -3.254 -0.520 897 HD23 LEU 111 2HD2 LEU 111 18.939 -4.619 -1.630 898 H LEU 112 H LEU 112 21.016 -5.256 -3.418 899 HA LEU 112 HA LEU 112 18.281 -5.841 -3.427 900 HB2 LEU 112 2HB LEU 112 19.506 -4.096 -4.780 901 HB3 LEU 112 3HB LEU 112 19.968 -5.395 -5.878 902 HG LEU 112 HG LEU 112 17.642 -5.782 -6.445 903 HD11 LEU 112 1HD1 LEU 112 16.122 -3.768 -5.535 904 HD12 LEU 112 2HD1 LEU 112 17.193 -3.984 -4.150 905 HD13 LEU 112 3HD1 LEU 112 16.232 -5.340 -4.741 906 HD21 LEU 112 3HD2 LEU 112 18.090 -4.277 -8.020 907 HD22 LEU 112 1HD2 LEU 112 19.049 -3.301 -6.908 908 HD23 LEU 112 2HD2 LEU 112 17.301 -3.077 -6.995 909 H ALA 113 H ALA 113 20.985 -7.788 -4.230 910 HA ALA 113 HA ALA 113 19.688 -9.585 -6.020 911 HB1 ALA 113 1HB ALA 113 21.632 -11.072 -5.520 912 HB2 ALA 113 2HB ALA 113 22.072 -9.453 -6.067 913 HB3 ALA 113 3HB ALA 113 22.183 -9.866 -4.356 914 H ARG 114 H ARG 114 19.914 -9.324 -2.554 915 HA ARG 114 HA ARG 114 19.314 -11.913 -1.760 916 HB2 ARG 114 2HB ARG 114 19.923 -10.032 -0.242 917 HB3 ARG 114 3HB ARG 114 18.309 -9.372 -0.469 918 HG2 ARG 114 2HG ARG 114 17.312 -11.271 0.593 919 HG3 ARG 114 3HG ARG 114 18.868 -12.102 0.664 920 HD2 ARG 114 2HD ARG 114 19.335 -11.129 2.605 921 HD3 ARG 114 3HD ARG 114 19.120 -9.534 1.887 922 HE ARG 114 HE ARG 114 16.587 -10.540 2.406 923 HH11 ARG 114 1HH1 ARG 114 19.431 -9.632 4.197 924 HH12 ARG 114 2HH1 ARG 114 18.550 -9.179 5.618 925 HH21 ARG 114 2HH2 ARG 114 16.267 -9.359 5.660 926 HH22 ARG 114 1HH2 ARG 114 15.416 -9.946 4.271 927 H LEU 115 H LEU 115 16.989 -9.243 -2.222 928 HA LEU 115 HA LEU 115 14.693 -10.849 -1.945 929 HB2 LEU 115 2HB LEU 115 14.423 -8.537 -1.639 930 HB3 LEU 115 3HB LEU 115 15.193 -8.161 -3.180 931 HG LEU 115 HG LEU 115 12.709 -9.721 -3.385 932 HD11 LEU 115 1HD1 LEU 115 11.967 -8.366 -1.587 933 HD12 LEU 115 2HD1 LEU 115 11.332 -7.642 -3.065 934 HD13 LEU 115 3HD1 LEU 115 12.732 -6.928 -2.265 935 HD21 LEU 115 3HD2 LEU 115 13.489 -9.009 -5.424 936 HD22 LEU 115 1HD2 LEU 115 14.085 -7.477 -4.785 937 HD23 LEU 115 2HD2 LEU 115 12.355 -7.715 -5.033 938 H GLU 116 H GLU 116 16.079 -9.421 -4.910 939 HA GLU 116 HA GLU 116 14.566 -11.324 -6.518 940 HB2 GLU 116 2HB GLU 116 14.685 -8.893 -7.122 941 HB3 GLU 116 3HB GLU 116 16.399 -9.109 -7.448 942 HG2 GLU 116 2HG GLU 116 15.876 -9.655 -9.522 943 HG3 GLU 116 3HG GLU 116 15.109 -11.115 -8.899 Start of MODEL 5 1 H1 MET 1 H MET 1 6.369 3.117 -4.299 2 HA MET 1 HA MET 1 4.935 1.537 -3.496 3 HB2 MET 1 2HB MET 1 4.640 3.327 -1.821 4 HB3 MET 1 3HB MET 1 3.314 3.984 -2.770 5 HG2 MET 1 2HG MET 1 2.352 1.554 -2.498 6 HG3 MET 1 3HG MET 1 3.420 1.534 -1.096 7 HE1 MET 1 3HE MET 1 0.973 1.710 1.008 8 HE2 MET 1 1HE MET 1 2.725 1.737 0.808 9 HE3 MET 1 2HE MET 1 1.901 3.112 1.542 10 H ALA 2 H ALA 2 4.591 1.081 -5.885 11 HA ALA 2 HA ALA 2 1.833 0.590 -6.326 12 HB1 ALA 2 1HB ALA 2 3.105 2.771 -7.969 13 HB2 ALA 2 2HB ALA 2 1.621 1.934 -8.427 14 HB3 ALA 2 3HB ALA 2 1.674 2.887 -6.945 15 H ARG 3 H ARG 3 1.590 -0.033 -8.850 16 HA ARG 3 HA ARG 3 4.003 -1.425 -9.746 17 HB2 ARG 3 2HB ARG 3 1.511 -2.687 -8.769 18 HB3 ARG 3 3HB ARG 3 2.174 -3.347 -10.258 19 HG2 ARG 3 2HG ARG 3 4.389 -3.181 -8.666 20 HG3 ARG 3 3HG ARG 3 3.120 -3.592 -7.511 21 HD2 ARG 3 2HD ARG 3 2.531 -5.288 -9.536 22 HD3 ARG 3 3HD ARG 3 4.283 -5.180 -9.700 23 HE ARG 3 HE ARG 3 2.810 -6.438 -7.568 24 HH11 ARG 3 1HH1 ARG 3 5.841 -5.026 -8.535 25 HH12 ARG 3 2HH1 ARG 3 6.767 -5.879 -7.345 26 HH21 ARG 3 2HH2 ARG 3 5.729 -7.325 -5.902 27 HH22 ARG 3 1HH2 ARG 3 4.018 -7.567 -5.997 28 HA PRO 4 HA PRO 4 1.643 0.663 -13.162 29 HB2 PRO 4 2HB PRO 4 3.822 1.861 -14.252 30 HB3 PRO 4 3HB PRO 4 2.880 2.587 -12.945 31 HG2 PRO 4 2HG PRO 4 5.458 1.071 -12.807 32 HG3 PRO 4 3HG PRO 4 4.986 2.555 -11.958 33 HD2 PRO 4 2HD PRO 4 4.930 0.120 -10.775 34 HD3 PRO 4 3HD PRO 4 3.782 1.409 -10.361 35 H SER 5 H SER 5 4.424 -1.400 -12.940 36 HA SER 5 HA SER 5 5.368 -2.918 -14.354 37 HB2 SER 5 2HB SER 5 2.584 -2.997 -15.542 38 HB3 SER 5 3HB SER 5 3.816 -4.251 -15.680 39 HG SER 5 HG SER 5 3.215 -4.973 -13.810 40 H ASN 6 H ASN 6 6.085 -0.473 -15.121 41 HA ASN 6 HA ASN 6 6.625 -0.779 -17.887 42 HB2 ASN 6 2HB ASN 6 4.193 0.168 -17.733 43 HB3 ASN 6 3HB ASN 6 5.000 1.684 -17.346 44 HD21 ASN 6 2HD2 ASN 6 5.008 2.301 -20.762 45 HD22 ASN 6 1HD2 ASN 6 4.395 2.722 -19.203 46 H VAL 7 H VAL 7 8.053 0.881 -18.711 47 HA VAL 7 HA VAL 7 9.648 2.056 -16.575 48 HB VAL 7 HB VAL 7 11.278 2.556 -18.398 49 HG11 VAL 7 1HG1 VAL 7 10.948 0.294 -17.049 50 HG12 VAL 7 2HG1 VAL 7 10.665 -0.334 -18.674 51 HG13 VAL 7 3HG1 VAL 7 12.187 0.471 -18.291 52 HG21 VAL 7 3HG2 VAL 7 9.399 0.951 -20.127 53 HG22 VAL 7 1HG2 VAL 7 9.604 2.700 -20.219 54 HG23 VAL 7 2HG2 VAL 7 10.954 1.633 -20.602 55 H LYS 8 H LYS 8 9.965 4.205 -16.263 56 HA LYS 8 HA LYS 8 8.450 6.040 -18.004 57 HB2 LYS 8 2HB LYS 8 8.443 5.688 -15.112 58 HB3 LYS 8 3HB LYS 8 8.781 7.350 -15.578 59 HG2 LYS 8 2HG LYS 8 6.577 7.605 -15.707 60 HG3 LYS 8 3HG LYS 8 6.668 6.669 -17.202 61 HD2 LYS 8 2HD LYS 8 6.514 4.615 -15.618 62 HD3 LYS 8 3HD LYS 8 5.884 5.781 -14.453 63 HE2 LYS 8 2HE LYS 8 3.910 5.918 -15.500 64 HE3 LYS 8 3HE LYS 8 4.662 6.011 -17.091 65 HZ1 LYS 8 3HZ LYS 8 3.210 3.978 -16.470 66 HZ2 LYS 8 1HZ LYS 8 4.598 3.440 -15.666 67 HZ3 LYS 8 2HZ LYS 8 4.648 3.741 -17.329 68 HA PRO 9 HA PRO 9 12.083 8.392 -18.723 69 HB2 PRO 9 2HB PRO 9 11.155 10.943 -18.658 70 HB3 PRO 9 3HB PRO 9 10.797 9.823 -19.979 71 HG2 PRO 9 2HG PRO 9 9.108 10.580 -17.625 72 HG3 PRO 9 3HG PRO 9 8.637 10.383 -19.323 73 HD2 PRO 9 2HD PRO 9 8.186 8.475 -17.455 74 HD3 PRO 9 3HD PRO 9 8.520 8.087 -19.155 75 H SER 10 H SER 10 13.710 8.612 -17.331 76 HA SER 10 HA SER 10 14.968 9.269 -15.554 77 HB2 SER 10 2HB SER 10 13.200 11.486 -16.092 78 HB3 SER 10 3HB SER 10 13.524 11.371 -14.362 79 HG SER 10 HG SER 10 15.280 11.863 -16.482 80 HA PRO 11 HA PRO 11 13.376 7.342 -11.950 81 HB2 PRO 11 2HB PRO 11 14.744 8.589 -9.964 82 HB3 PRO 11 3HB PRO 11 15.498 7.439 -11.075 83 HG2 PRO 11 2HG PRO 11 15.529 10.432 -11.138 84 HG3 PRO 11 3HG PRO 11 16.857 9.292 -11.426 85 HD2 PRO 11 2HD PRO 11 15.514 10.505 -13.441 86 HD3 PRO 11 3HD PRO 11 16.193 8.871 -13.593 87 H HIS 12 H HIS 12 12.749 8.068 -9.512 88 HA HIS 12 HA HIS 12 10.554 9.944 -9.884 89 HB2 HIS 12 2HB HIS 12 11.199 7.784 -7.940 90 HB3 HIS 12 3HB HIS 12 10.178 9.103 -7.376 91 HD1 HIS 12 HD1 HIS 12 10.060 7.564 -10.830 92 HD2 HIS 12 HD2 HIS 12 7.766 7.810 -7.375 93 HE1 HIS 12 HE1 HIS 12 7.841 6.540 -11.422 94 H VAL 13 H VAL 13 10.270 11.823 -8.735 95 HA VAL 13 HA VAL 13 12.601 12.736 -7.177 96 HB VAL 13 HB VAL 13 12.364 14.009 -9.234 97 HG11 VAL 13 1HG1 VAL 13 9.919 15.413 -8.639 98 HG12 VAL 13 2HG1 VAL 13 10.402 14.575 -10.115 99 HG13 VAL 13 3HG1 VAL 13 9.626 13.682 -8.806 100 HG21 VAL 13 3HG2 VAL 13 12.995 15.093 -7.011 101 HG22 VAL 13 1HG2 VAL 13 12.497 16.167 -8.318 102 HG23 VAL 13 2HG2 VAL 13 11.370 15.779 -7.018 103 H ILE 14 H ILE 14 12.286 13.403 -5.141 104 HA ILE 14 HA ILE 14 9.523 13.879 -4.241 105 HB ILE 14 HB ILE 14 11.600 12.559 -2.508 106 HG12 ILE 14 2HG1 ILE 14 11.254 11.070 -4.385 107 HG13 ILE 14 3HG1 ILE 14 10.411 10.421 -2.983 108 HG21 ILE 14 1HG2 ILE 14 9.159 11.755 -1.634 109 HG22 ILE 14 2HG2 ILE 14 10.041 13.144 -1.002 110 HG23 ILE 14 3HG2 ILE 14 8.796 13.375 -2.230 111 HD11 ILE 14 3HD1 ILE 14 8.596 12.077 -4.377 112 HD12 ILE 14 1HD1 ILE 14 9.385 11.028 -5.554 113 HD13 ILE 14 2HD1 ILE 14 8.552 10.327 -4.166 114 H LYS 15 H LYS 15 9.297 15.285 -2.419 115 HA LYS 15 HA LYS 15 11.480 16.649 -1.242 116 HB2 LYS 15 2HB LYS 15 10.872 18.922 -2.250 117 HB3 LYS 15 3HB LYS 15 11.810 17.822 -3.252 118 HG2 LYS 15 2HG LYS 15 10.151 17.560 -4.758 119 HG3 LYS 15 3HG LYS 15 8.879 17.657 -3.537 120 HD2 LYS 15 2HD LYS 15 8.505 19.661 -4.527 121 HD3 LYS 15 3HD LYS 15 9.787 20.178 -3.429 122 HE2 LYS 15 2HE LYS 15 10.735 19.076 -5.975 123 HE3 LYS 15 3HE LYS 15 9.787 20.554 -6.130 124 HZ1 LYS 15 3HZ LYS 15 12.340 20.671 -5.748 125 HZ2 LYS 15 1HZ LYS 15 11.929 20.433 -4.124 126 HZ3 LYS 15 2HZ LYS 15 11.319 21.769 -4.963 127 H SER 16 H SER 16 9.524 15.461 0.038 128 HA SER 16 HA SER 16 8.243 17.589 1.462 129 HB2 SER 16 2HB SER 16 6.710 15.988 -0.508 130 HB3 SER 16 3HB SER 16 5.947 16.226 1.064 131 HG SER 16 HG SER 16 6.243 17.973 -0.968 132 H LEU 17 H LEU 17 7.243 16.876 3.423 133 HA LEU 17 HA LEU 17 8.568 14.695 4.634 134 HB2 LEU 17 2HB LEU 17 7.344 16.886 5.574 135 HB3 LEU 17 3HB LEU 17 6.068 15.703 5.853 136 HG LEU 17 HG LEU 17 7.807 14.345 7.115 137 HD11 LEU 17 1HD1 LEU 17 9.835 15.233 7.696 138 HD12 LEU 17 2HD1 LEU 17 9.295 16.897 7.478 139 HD13 LEU 17 3HD1 LEU 17 9.652 15.896 6.071 140 HD21 LEU 17 3HD2 LEU 17 6.027 15.599 8.218 141 HD22 LEU 17 1HD2 LEU 17 7.025 17.053 8.190 142 HD23 LEU 17 2HD2 LEU 17 7.522 15.662 9.152 143 H GLU 18 H GLU 18 5.116 15.150 3.853 144 HA GLU 18 HA GLU 18 4.227 12.623 4.573 145 HB2 GLU 18 2HB GLU 18 3.203 14.872 3.096 146 HB3 GLU 18 3HB GLU 18 2.738 13.374 2.301 147 HG2 GLU 18 2HG GLU 18 2.317 13.846 5.235 148 HG3 GLU 18 3HG GLU 18 1.130 14.300 4.014 149 H GLU 19 H GLU 19 5.430 13.747 1.426 150 HA GLU 19 HA GLU 19 5.055 11.360 0.016 151 HB2 GLU 19 2HB GLU 19 5.705 13.706 -0.847 152 HB3 GLU 19 3HB GLU 19 7.360 13.218 -0.509 153 HG2 GLU 19 2HG GLU 19 6.889 12.830 -2.820 154 HG3 GLU 19 3HG GLU 19 7.055 11.277 -2.003 155 H LEU 20 H LEU 20 7.673 12.438 2.096 156 HA LEU 20 HA LEU 20 9.505 10.379 1.446 157 HB2 LEU 20 2HB LEU 20 9.683 12.655 2.852 158 HB3 LEU 20 3HB LEU 20 9.529 11.507 4.180 159 HG LEU 20 HG LEU 20 11.486 10.270 3.014 160 HD11 LEU 20 1HD1 LEU 20 11.704 11.350 0.965 161 HD12 LEU 20 2HD1 LEU 20 13.007 12.037 1.934 162 HD13 LEU 20 3HD1 LEU 20 11.521 12.952 1.680 163 HD21 LEU 20 3HD2 LEU 20 13.005 11.364 4.409 164 HD22 LEU 20 1HD2 LEU 20 11.445 11.627 5.189 165 HD23 LEU 20 2HD2 LEU 20 12.185 12.917 4.241 166 H ARG 21 H ARG 21 7.601 10.791 4.439 167 HA ARG 21 HA ARG 21 8.047 8.276 5.500 168 HB2 ARG 21 2HB ARG 21 6.987 10.134 6.727 169 HB3 ARG 21 3HB ARG 21 5.537 9.941 5.752 170 HG2 ARG 21 2HG ARG 21 4.767 8.452 7.191 171 HG3 ARG 21 3HG ARG 21 6.162 7.418 6.877 172 HD2 ARG 21 2HD ARG 21 6.113 9.692 8.857 173 HD3 ARG 21 3HD ARG 21 5.874 7.995 9.272 174 HE ARG 21 HE ARG 21 8.274 8.148 7.900 175 HH11 ARG 21 1HH1 ARG 21 6.912 9.396 10.851 176 HH12 ARG 21 2HH1 ARG 21 8.434 9.464 11.677 177 HH21 ARG 21 2HH2 ARG 21 10.350 8.803 10.610 178 HH22 ARG 21 1HH2 ARG 21 10.283 8.233 8.977 179 H GLU 22 H GLU 22 5.895 9.249 2.948 180 HA GLU 22 HA GLU 22 4.394 6.780 2.973 181 HB2 GLU 22 2HB GLU 22 4.431 9.171 1.140 182 HB3 GLU 22 3HB GLU 22 3.483 7.735 0.781 183 HG2 GLU 22 2HG GLU 22 3.188 9.114 3.413 184 HG3 GLU 22 3HG GLU 22 2.370 9.734 1.980 185 H ALA 23 H ALA 23 7.157 8.113 1.322 186 HA ALA 23 HA ALA 23 7.228 6.208 -0.800 187 HB1 ALA 23 1HB ALA 23 8.542 7.869 -1.511 188 HB2 ALA 23 2HB ALA 23 8.868 8.434 0.128 189 HB3 ALA 23 3HB ALA 23 9.807 7.104 -0.549 190 H THR 24 H THR 24 8.262 6.208 2.495 191 HA THR 24 HA THR 24 10.234 4.163 2.279 192 HB THR 24 HB THR 24 9.367 3.980 4.869 193 HG1 THR 24 HG1 THR 24 8.331 5.744 5.419 194 HG21 THR 24 3HG2 THR 24 11.359 5.786 3.532 195 HG22 THR 24 1HG2 THR 24 11.647 4.305 4.445 196 HG23 THR 24 2HG2 THR 24 11.160 5.778 5.284 197 H ALA 25 H ALA 25 6.838 4.142 2.187 198 HA ALA 25 HA ALA 25 6.427 1.531 3.297 199 HB1 ALA 25 1HB ALA 25 4.626 3.222 1.568 200 HB2 ALA 25 2HB ALA 25 4.147 1.754 2.421 201 HB3 ALA 25 3HB ALA 25 4.644 3.181 3.332 202 H SER 26 H SER 26 7.277 2.798 0.192 203 HA SER 26 HA SER 26 6.415 0.658 -1.430 204 HB2 SER 26 2HB SER 26 8.898 2.063 -2.225 205 HB3 SER 26 3HB SER 26 7.416 1.785 -3.139 206 HG SER 26 HG SER 26 7.809 4.014 -2.538 207 H ASN 27 H ASN 27 7.204 -1.322 -1.754 208 HA ASN 27 HA ASN 27 9.686 -2.055 -0.376 209 HB2 ASN 27 2HB ASN 27 8.903 -4.315 -0.399 210 HB3 ASN 27 3HB ASN 27 7.545 -3.307 0.094 211 HD21 ASN 27 2HD2 ASN 27 7.192 -5.734 -3.018 212 HD22 ASN 27 1HD2 ASN 27 8.477 -5.784 -1.865 213 H ARG 28 H ARG 28 9.935 -0.622 -2.778 214 HA ARG 28 HA ARG 28 10.877 -2.684 -4.658 215 HB2 ARG 28 2HB ARG 28 9.808 0.085 -5.055 216 HB3 ARG 28 3HB ARG 28 10.914 -0.594 -6.241 217 HG2 ARG 28 2HG ARG 28 8.584 -2.237 -5.422 218 HG3 ARG 28 3HG ARG 28 8.294 -0.840 -6.460 219 HD2 ARG 28 2HD ARG 28 10.508 -2.088 -7.578 220 HD3 ARG 28 3HD ARG 28 9.452 -3.416 -7.099 221 HE ARG 28 HE ARG 28 8.079 -2.854 -8.825 222 HH11 ARG 28 1HH1 ARG 28 10.000 -0.072 -7.996 223 HH12 ARG 28 2HH1 ARG 28 9.389 0.899 -9.294 224 HH21 ARG 28 2HH2 ARG 28 7.834 0.037 -10.739 225 HH22 ARG 28 1HH2 ARG 28 7.267 -1.586 -10.538 226 H ILE 29 H ILE 29 12.237 -1.528 -2.246 227 HA ILE 29 HA ILE 29 14.280 -0.736 -1.611 228 HB ILE 29 HB ILE 29 15.075 -1.861 -4.299 229 HG12 ILE 29 2HG1 ILE 29 15.895 -3.727 -2.617 230 HG13 ILE 29 3HG1 ILE 29 14.629 -3.057 -1.595 231 HG21 ILE 29 1HG2 ILE 29 17.059 -0.945 -3.857 232 HG22 ILE 29 2HG2 ILE 29 16.583 -0.521 -2.213 233 HG23 ILE 29 3HG2 ILE 29 17.204 -2.134 -2.563 234 HD11 ILE 29 3HD1 ILE 29 14.251 -5.037 -3.372 235 HD12 ILE 29 1HD1 ILE 29 12.985 -3.926 -2.848 236 HD13 ILE 29 2HD1 ILE 29 13.840 -3.638 -4.364 237 H SER 30 H SER 30 13.777 1.476 -1.620 238 HA SER 30 HA SER 30 14.583 2.972 -4.019 239 HB2 SER 30 2HB SER 30 12.726 3.597 -1.741 240 HB3 SER 30 3HB SER 30 13.424 4.899 -2.704 241 HG SER 30 HG SER 30 12.135 2.709 -3.928 242 H VAL 31 H VAL 31 15.959 4.784 -3.828 243 HA VAL 31 HA VAL 31 17.879 4.535 -1.644 244 HB VAL 31 HB VAL 31 18.181 6.403 -3.975 245 HG11 VAL 31 1HG1 VAL 31 19.814 6.659 -2.244 246 HG12 VAL 31 2HG1 VAL 31 20.103 4.919 -2.189 247 HG13 VAL 31 3HG1 VAL 31 20.586 5.851 -3.607 248 HG21 VAL 31 3HG2 VAL 31 19.496 4.395 -4.976 249 HG22 VAL 31 1HG2 VAL 31 18.441 3.425 -3.949 250 HG23 VAL 31 2HG2 VAL 31 17.747 4.477 -5.182 251 H ILE 32 H ILE 32 17.632 5.766 0.092 252 HA ILE 32 HA ILE 32 16.227 8.327 -0.147 253 HB ILE 32 HB ILE 32 16.977 6.780 2.337 254 HG12 ILE 32 2HG1 ILE 32 14.151 7.069 1.874 255 HG13 ILE 32 3HG1 ILE 32 14.910 6.336 0.465 256 HG21 ILE 32 1HG2 ILE 32 15.462 8.337 3.487 257 HG22 ILE 32 2HG2 ILE 32 16.841 9.163 2.763 258 HG23 ILE 32 3HG2 ILE 32 15.262 9.234 1.983 259 HD11 ILE 32 3HD1 ILE 32 14.774 4.404 1.533 260 HD12 ILE 32 1HD1 ILE 32 16.022 5.002 2.626 261 HD13 ILE 32 2HD1 ILE 32 14.318 5.196 3.042 262 H VAL 33 H VAL 33 17.731 9.782 -0.832 263 HA VAL 33 HA VAL 33 20.159 10.075 0.814 264 HB VAL 33 HB VAL 33 19.794 11.177 -1.967 265 HG11 VAL 33 1HG1 VAL 33 22.300 11.172 -1.887 266 HG12 VAL 33 2HG1 VAL 33 21.526 12.286 -0.759 267 HG13 VAL 33 3HG1 VAL 33 22.181 10.755 -0.178 268 HG21 VAL 33 3HG2 VAL 33 19.575 8.747 -2.063 269 HG22 VAL 33 1HG2 VAL 33 21.097 9.274 -2.781 270 HG23 VAL 33 2HG2 VAL 33 21.082 8.568 -1.165 271 H PHE 34 H PHE 34 20.386 11.873 1.978 272 HA PHE 34 HA PHE 34 18.513 14.087 1.477 273 HB2 PHE 34 2HB PHE 34 19.336 14.618 3.964 274 HB3 PHE 34 3HB PHE 34 17.993 13.529 3.631 275 HD1 PHE 34 HD1 PHE 34 18.282 11.108 3.812 276 HD2 PHE 34 HD2 PHE 34 21.413 13.808 4.823 277 HE1 PHE 34 HE1 PHE 34 19.450 9.302 5.006 278 HE2 PHE 34 HE2 PHE 34 22.586 12.006 6.018 279 HZ PHE 34 HZ PHE 34 21.605 9.749 6.111 280 H THR 35 H THR 35 19.613 15.439 0.155 281 HA THR 35 HA THR 35 22.044 16.653 1.250 282 HB THR 35 HB THR 35 22.902 16.760 -1.186 283 HG1 THR 35 HG1 THR 35 21.019 14.627 -1.327 284 HG21 THR 35 3HG2 THR 35 23.522 14.122 -0.820 285 HG22 THR 35 1HG2 THR 35 23.068 14.620 0.810 286 HG23 THR 35 2HG2 THR 35 24.352 15.473 -0.048 287 H HIS 36 H HIS 36 22.238 18.821 0.880 288 HA HIS 36 HA HIS 36 19.906 20.262 0.165 289 HB2 HIS 36 2HB HIS 36 22.690 21.412 0.328 290 HB3 HIS 36 3HB HIS 36 21.160 22.233 0.624 291 HD1 HIS 36 HD1 HIS 36 20.073 21.920 2.931 292 HD2 HIS 36 HD2 HIS 36 23.641 19.844 2.460 293 HE1 HIS 36 HE1 HIS 36 20.719 21.160 5.240 294 HA PRO 37 HA PRO 37 20.307 20.733 -4.182 295 HB2 PRO 37 2HB PRO 37 19.183 23.179 -4.529 296 HB3 PRO 37 3HB PRO 37 18.241 21.737 -4.134 297 HG2 PRO 37 2HG PRO 37 19.201 23.925 -2.330 298 HG3 PRO 37 3HG PRO 37 17.621 23.121 -2.372 299 HD2 PRO 37 2HD PRO 37 19.531 22.487 -0.560 300 HD3 PRO 37 3HD PRO 37 18.380 21.292 -1.192 301 H ASP 38 H ASP 38 21.381 23.461 -2.194 302 HA ASP 38 HA ASP 38 23.235 24.279 -4.311 303 HB2 ASP 38 2HB ASP 38 23.350 26.381 -3.300 304 HB3 ASP 38 3HB ASP 38 21.675 25.908 -3.033 305 H SER 39 H SER 39 23.536 21.887 -2.540 306 HA SER 39 HA SER 39 25.648 22.443 -0.703 307 HB2 SER 39 2HB SER 39 24.390 20.510 -0.211 308 HB3 SER 39 3HB SER 39 24.506 19.908 -1.865 309 HG SER 39 HG SER 39 26.233 19.606 0.234 310 H LYS 40 H LYS 40 27.375 23.423 -1.652 311 HA LYS 40 HA LYS 40 28.467 22.825 -4.155 312 HB2 LYS 40 2HB LYS 40 28.954 24.871 -2.822 313 HB3 LYS 40 3HB LYS 40 29.934 23.894 -1.737 314 HG2 LYS 40 2HG LYS 40 30.635 23.665 -4.577 315 HG3 LYS 40 3HG LYS 40 30.891 25.260 -3.865 316 HD2 LYS 40 2HD LYS 40 32.023 23.911 -1.942 317 HD3 LYS 40 3HD LYS 40 32.149 22.640 -3.160 318 HE2 LYS 40 2HE LYS 40 33.221 25.450 -3.397 319 HE3 LYS 40 3HE LYS 40 34.174 23.998 -3.093 320 HZ1 LYS 40 3HZ LYS 40 34.197 24.725 -5.437 321 HZ2 LYS 40 1HZ LYS 40 32.532 24.440 -5.527 322 HZ3 LYS 40 2HZ LYS 40 33.595 23.156 -5.241 323 H ARG 41 H ARG 41 29.509 21.735 -0.927 324 HA ARG 41 HA ARG 41 31.623 20.118 -1.730 325 HB2 ARG 41 2HB ARG 41 31.317 18.939 0.416 326 HB3 ARG 41 3HB ARG 41 31.251 20.687 0.603 327 HG2 ARG 41 2HG ARG 41 28.663 19.349 0.181 328 HG3 ARG 41 3HG ARG 41 29.483 18.992 1.702 329 HD2 ARG 41 2HD ARG 41 29.757 21.730 1.427 330 HD3 ARG 41 3HD ARG 41 28.127 21.411 0.837 331 HE ARG 41 HE ARG 41 28.375 20.017 3.206 332 HH11 ARG 41 1HH1 ARG 41 28.552 23.336 2.171 333 HH12 ARG 41 2HH1 ARG 41 27.990 23.973 3.681 334 HH21 ARG 41 2HH2 ARG 41 27.468 22.554 5.402 335 HH22 ARG 41 1HH2 ARG 41 27.633 20.843 5.198 336 H SER 42 H SER 42 28.218 19.614 -1.985 337 HA SER 42 HA SER 42 28.725 16.990 -3.198 338 HB2 SER 42 2HB SER 42 26.280 17.437 -1.502 339 HB3 SER 42 3HB SER 42 26.998 15.914 -2.027 340 HG SER 42 HG SER 42 27.337 16.801 0.262 341 H LYS 43 H LYS 43 28.581 18.895 -4.902 342 HA LYS 43 HA LYS 43 25.783 19.023 -5.822 343 HB2 LYS 43 2HB LYS 43 27.665 21.114 -5.396 344 HB3 LYS 43 3HB LYS 43 27.391 20.989 -7.129 345 HG2 LYS 43 2HG LYS 43 24.852 20.836 -6.057 346 HG3 LYS 43 3HG LYS 43 25.668 22.028 -5.043 347 HD2 LYS 43 2HD LYS 43 25.651 22.100 -8.058 348 HD3 LYS 43 3HD LYS 43 24.511 22.986 -7.042 349 HE2 LYS 43 2HE LYS 43 25.997 24.600 -6.663 350 HE3 LYS 43 3HE LYS 43 27.228 23.434 -6.182 351 HZ1 LYS 43 3HZ LYS 43 26.859 24.788 -8.703 352 HZ2 LYS 43 1HZ LYS 43 27.173 23.132 -8.852 353 HZ3 LYS 43 2HZ LYS 43 28.261 24.128 -8.024 354 H GLU 44 H GLU 44 29.095 18.319 -6.633 355 HA GLU 44 HA GLU 44 28.661 18.038 -9.448 356 HB2 GLU 44 2HB GLU 44 30.903 16.865 -7.800 357 HB3 GLU 44 3HB GLU 44 30.902 17.158 -9.533 358 HG2 GLU 44 2HG GLU 44 30.327 19.605 -8.209 359 HG3 GLU 44 3HG GLU 44 31.744 18.876 -7.456 360 H ILE 45 H ILE 45 28.768 15.835 -6.691 361 HA ILE 45 HA ILE 45 28.628 13.425 -8.137 362 HB ILE 45 HB ILE 45 27.759 12.433 -6.027 363 HG12 ILE 45 2HG1 ILE 45 27.942 14.155 -4.044 364 HG13 ILE 45 3HG1 ILE 45 27.577 15.332 -5.301 365 HG21 ILE 45 1HG2 ILE 45 30.266 13.457 -6.583 366 HG22 ILE 45 2HG2 ILE 45 29.934 14.016 -4.944 367 HG23 ILE 45 3HG2 ILE 45 29.868 12.294 -5.318 368 HD11 ILE 45 3HD1 ILE 45 25.430 14.863 -5.124 369 HD12 ILE 45 1HD1 ILE 45 25.745 13.178 -5.538 370 HD13 ILE 45 2HD1 ILE 45 25.794 13.696 -3.853 371 H LYS 46 H LYS 46 26.321 15.865 -7.663 372 HA LYS 46 HA LYS 46 23.909 14.500 -7.540 373 HB2 LYS 46 2HB LYS 46 24.640 17.099 -8.884 374 HB3 LYS 46 3HB LYS 46 22.985 16.513 -8.788 375 HG2 LYS 46 2HG LYS 46 24.130 16.404 -6.187 376 HG3 LYS 46 3HG LYS 46 24.439 17.999 -6.877 377 HD2 LYS 46 2HD LYS 46 21.902 17.819 -7.568 378 HD3 LYS 46 3HD LYS 46 21.851 16.674 -6.225 379 HE2 LYS 46 2HE LYS 46 23.308 18.938 -5.356 380 HE3 LYS 46 3HE LYS 46 21.851 19.527 -6.155 381 HZ1 LYS 46 3HZ LYS 46 21.474 17.305 -4.326 382 HZ2 LYS 46 1HZ LYS 46 20.532 18.691 -4.557 383 HZ3 LYS 46 2HZ LYS 46 21.930 18.767 -3.608 384 H GLU 47 H GLU 47 25.791 15.435 -10.406 385 HA GLU 47 HA GLU 47 23.964 14.259 -12.254 386 HB2 GLU 47 2HB GLU 47 26.296 15.871 -12.385 387 HB3 GLU 47 3HB GLU 47 26.599 14.438 -13.357 388 HG2 GLU 47 2HG GLU 47 25.689 16.078 -14.795 389 HG3 GLU 47 3HG GLU 47 24.430 14.875 -14.522 390 H LYS 48 H LYS 48 26.875 13.175 -10.615 391 HA LYS 48 HA LYS 48 27.447 10.883 -12.078 392 HB2 LYS 48 2HB LYS 48 27.717 11.212 -9.085 393 HB3 LYS 48 3HB LYS 48 28.596 10.072 -10.094 394 HG2 LYS 48 2HG LYS 48 28.797 13.066 -10.332 395 HG3 LYS 48 3HG LYS 48 29.925 12.048 -9.434 396 HD2 LYS 48 2HD LYS 48 31.078 11.822 -11.327 397 HD3 LYS 48 3HD LYS 48 29.736 10.853 -11.941 398 HE2 LYS 48 2HE LYS 48 28.751 12.717 -13.005 399 HE3 LYS 48 3HE LYS 48 29.782 13.853 -12.137 400 HZ1 LYS 48 3HZ LYS 48 30.352 13.327 -14.551 401 HZ2 LYS 48 1HZ LYS 48 30.930 11.846 -13.973 402 HZ3 LYS 48 2HZ LYS 48 31.615 13.292 -13.426 403 H LEU 49 H LEU 49 25.296 11.257 -9.271 404 HA LEU 49 HA LEU 49 24.468 8.533 -9.261 405 HB2 LEU 49 2HB LEU 49 24.391 10.134 -7.320 406 HB3 LEU 49 3HB LEU 49 22.994 10.882 -8.091 407 HG LEU 49 HG LEU 49 21.878 8.609 -7.962 408 HD11 LEU 49 1HD1 LEU 49 23.680 7.138 -7.608 409 HD12 LEU 49 2HD1 LEU 49 22.806 7.189 -6.077 410 HD13 LEU 49 3HD1 LEU 49 24.306 8.097 -6.267 411 HD21 LEU 49 3HD2 LEU 49 21.711 8.908 -5.322 412 HD22 LEU 49 1HD2 LEU 49 20.950 10.029 -6.451 413 HD23 LEU 49 2HD2 LEU 49 22.499 10.437 -5.713 414 H LYS 50 H LYS 50 23.271 11.467 -10.760 415 HA LYS 50 HA LYS 50 20.728 10.531 -11.519 416 HB2 LYS 50 2HB LYS 50 21.622 12.928 -11.563 417 HB3 LYS 50 3HB LYS 50 22.366 12.506 -13.100 418 HG2 LYS 50 2HG LYS 50 19.676 11.692 -13.256 419 HG3 LYS 50 3HG LYS 50 19.683 13.312 -12.555 420 HD2 LYS 50 2HD LYS 50 21.487 13.625 -14.545 421 HD3 LYS 50 3HD LYS 50 20.426 12.410 -15.261 422 HE2 LYS 50 2HE LYS 50 19.446 14.983 -14.037 423 HE3 LYS 50 3HE LYS 50 19.802 14.788 -15.753 424 HZ1 LYS 50 3HZ LYS 50 17.458 14.477 -15.328 425 HZ2 LYS 50 1HZ LYS 50 17.783 13.254 -14.205 426 HZ3 LYS 50 2HZ LYS 50 18.142 13.017 -15.841 427 H LYS 51 H LYS 51 23.879 10.363 -13.102 428 HA LYS 51 HA LYS 51 22.921 9.254 -15.537 429 HB2 LYS 51 2HB LYS 51 25.528 9.819 -14.306 430 HB3 LYS 51 3HB LYS 51 25.528 8.421 -15.372 431 HG2 LYS 51 2HG LYS 51 24.545 9.838 -17.151 432 HG3 LYS 51 3HG LYS 51 24.705 11.229 -16.077 433 HD2 LYS 51 2HD LYS 51 27.033 11.175 -16.155 434 HD3 LYS 51 3HD LYS 51 27.071 9.500 -16.710 435 HE2 LYS 51 2HE LYS 51 25.694 10.702 -18.722 436 HE3 LYS 51 3HE LYS 51 26.788 11.996 -18.233 437 HZ1 LYS 51 3HZ LYS 51 28.443 9.894 -18.314 438 HZ2 LYS 51 1HZ LYS 51 28.202 10.960 -19.606 439 HZ3 LYS 51 2HZ LYS 51 27.368 9.490 -19.556 440 H LEU 52 H LEU 52 24.027 7.891 -12.495 441 HA LEU 52 HA LEU 52 24.432 5.252 -13.196 442 HB2 LEU 52 2HB LEU 52 24.925 6.075 -10.986 443 HB3 LEU 52 3HB LEU 52 23.218 6.392 -10.685 444 HG LEU 52 HG LEU 52 24.020 3.594 -11.282 445 HD11 LEU 52 1HD1 LEU 52 25.749 4.137 -9.748 446 HD12 LEU 52 2HD1 LEU 52 24.505 3.277 -8.841 447 HD13 LEU 52 3HD1 LEU 52 24.637 5.031 -8.710 448 HD21 LEU 52 3HD2 LEU 52 21.716 3.934 -10.954 449 HD22 LEU 52 1HD2 LEU 52 21.985 4.983 -9.562 450 HD23 LEU 52 2HD2 LEU 52 22.305 3.253 -9.436 451 H ALA 53 H ALA 53 21.454 7.018 -12.926 452 HA ALA 53 HA ALA 53 19.595 4.996 -12.589 453 HB1 ALA 53 1HB ALA 53 18.988 7.167 -14.531 454 HB2 ALA 53 2HB ALA 53 18.005 6.514 -13.220 455 HB3 ALA 53 3HB ALA 53 19.346 7.602 -12.859 456 H GLU 54 H GLU 54 21.568 5.731 -15.340 457 HA GLU 54 HA GLU 54 19.979 4.207 -17.204 458 HB2 GLU 54 2HB GLU 54 21.348 6.159 -17.906 459 HB3 GLU 54 3HB GLU 54 22.799 5.254 -17.499 460 HG2 GLU 54 2HG GLU 54 21.041 3.799 -19.295 461 HG3 GLU 54 3HG GLU 54 21.569 5.345 -19.956 462 H GLU 55 H GLU 55 22.994 3.761 -15.408 463 HA GLU 55 HA GLU 55 23.786 1.327 -16.521 464 HB2 GLU 55 2HB GLU 55 25.385 1.279 -14.897 465 HB3 GLU 55 3HB GLU 55 24.898 2.960 -14.733 466 HG2 GLU 55 2HG GLU 55 24.871 2.308 -12.552 467 HG3 GLU 55 3HG GLU 55 23.199 1.976 -13.000 468 H PHE 56 H PHE 56 21.267 2.069 -14.270 469 HA PHE 56 HA PHE 56 20.123 -0.513 -14.482 470 HB2 PHE 56 2HB PHE 56 22.065 -0.844 -12.828 471 HB3 PHE 56 3HB PHE 56 21.101 0.106 -11.702 472 HD1 PHE 56 HD1 PHE 56 20.319 -1.325 -10.077 473 HD2 PHE 56 HD2 PHE 56 20.133 -2.522 -14.158 474 HE1 PHE 56 HE1 PHE 56 19.086 -3.351 -9.423 475 HE2 PHE 56 HE2 PHE 56 18.899 -4.549 -13.510 476 HZ PHE 56 HZ PHE 56 18.374 -4.966 -11.140 477 HA PRO 57 HA PRO 57 17.303 2.975 -13.348 478 HB2 PRO 57 2HB PRO 57 15.479 2.421 -15.280 479 HB3 PRO 57 3HB PRO 57 16.902 3.431 -15.563 480 HG2 PRO 57 2HG PRO 57 16.470 0.541 -16.215 481 HG3 PRO 57 3HG PRO 57 17.223 1.809 -17.199 482 HD2 PRO 57 2HD PRO 57 18.670 -0.006 -15.805 483 HD3 PRO 57 3HD PRO 57 19.235 1.653 -16.084 484 H ASP 58 H ASP 58 17.190 -0.408 -13.415 485 HA ASP 58 HA ASP 58 14.542 -1.026 -12.872 486 HB2 ASP 58 2HB ASP 58 15.684 -2.974 -13.062 487 HB3 ASP 58 3HB ASP 58 17.156 -2.295 -12.372 488 H VAL 59 H VAL 59 17.116 -0.099 -10.608 489 HA VAL 59 HA VAL 59 15.392 -0.204 -8.319 490 HB VAL 59 HB VAL 59 17.900 -0.524 -8.265 491 HG11 VAL 59 1HG1 VAL 59 18.475 1.391 -9.692 492 HG12 VAL 59 2HG1 VAL 59 17.903 2.489 -8.434 493 HG13 VAL 59 3HG1 VAL 59 19.302 1.456 -8.135 494 HG21 VAL 59 3HG2 VAL 59 18.129 0.418 -6.075 495 HG22 VAL 59 1HG2 VAL 59 16.857 1.597 -6.394 496 HG23 VAL 59 2HG2 VAL 59 16.460 -0.116 -6.265 497 H ASP 60 H ASP 60 14.840 1.621 -6.978 498 HA ASP 60 HA ASP 60 14.182 3.979 -8.589 499 HB2 ASP 60 2HB ASP 60 13.095 3.850 -5.867 500 HB3 ASP 60 3HB ASP 60 12.274 4.145 -7.397 501 H ILE 61 H ILE 61 15.603 5.583 -8.483 502 HA ILE 61 HA ILE 61 16.896 6.143 -5.894 503 HB ILE 61 HB ILE 61 18.035 7.141 -8.471 504 HG12 ILE 61 2HG1 ILE 61 19.507 4.921 -8.127 505 HG13 ILE 61 3HG1 ILE 61 17.964 4.324 -7.527 506 HG21 ILE 61 1HG2 ILE 61 18.735 7.374 -5.811 507 HG22 ILE 61 2HG2 ILE 61 19.831 6.136 -6.424 508 HG23 ILE 61 3HG2 ILE 61 19.770 7.720 -7.197 509 HD11 ILE 61 3HD1 ILE 61 18.076 5.734 -10.149 510 HD12 ILE 61 1HD1 ILE 61 18.595 4.053 -10.031 511 HD13 ILE 61 2HD1 ILE 61 16.950 4.502 -9.579 512 H TYR 62 H TYR 62 16.109 7.887 -4.934 513 HA TYR 62 HA TYR 62 15.410 10.216 -6.588 514 HB2 TYR 62 2HB TYR 62 13.419 10.622 -5.371 515 HB3 TYR 62 3HB TYR 62 13.387 8.907 -5.763 516 HD1 TYR 62 HD1 TYR 62 13.212 11.337 -3.153 517 HD2 TYR 62 HD2 TYR 62 14.161 7.267 -3.952 518 HE1 TYR 62 HE1 TYR 62 12.914 10.806 -0.770 519 HE2 TYR 62 HE2 TYR 62 13.865 6.724 -1.571 520 HH TYR 62 HH TYR 62 13.344 9.223 0.832 521 H LEU 63 H LEU 63 15.850 12.222 -5.702 522 HA LEU 63 HA LEU 63 17.698 12.178 -3.436 523 HB2 LEU 63 2HB LEU 63 18.190 14.528 -4.169 524 HB3 LEU 63 3HB LEU 63 18.608 13.262 -5.323 525 HG LEU 63 HG LEU 63 15.947 14.371 -5.763 526 HD11 LEU 63 1HD1 LEU 63 16.741 16.451 -5.056 527 HD12 LEU 63 2HD1 LEU 63 16.968 16.471 -6.804 528 HD13 LEU 63 3HD1 LEU 63 18.343 16.176 -5.740 529 HD21 LEU 63 3HD2 LEU 63 16.838 13.017 -7.447 530 HD22 LEU 63 1HD2 LEU 63 18.412 13.809 -7.378 531 HD23 LEU 63 2HD2 LEU 63 17.028 14.657 -8.067 532 H VAL 64 H VAL 64 17.512 13.656 -1.698 533 HA VAL 64 HA VAL 64 14.838 14.840 -1.352 534 HB VAL 64 HB VAL 64 16.404 13.516 0.863 535 HG11 VAL 64 1HG1 VAL 64 14.197 13.652 2.030 536 HG12 VAL 64 2HG1 VAL 64 14.947 15.215 1.699 537 HG13 VAL 64 3HG1 VAL 64 13.615 14.643 0.692 538 HG21 VAL 64 3HG2 VAL 64 15.708 11.831 -0.750 539 HG22 VAL 64 1HG2 VAL 64 14.763 11.698 0.733 540 HG23 VAL 64 2HG2 VAL 64 14.055 12.444 -0.700 541 H ASP 65 H ASP 65 14.749 16.822 -0.388 542 HA ASP 65 HA ASP 65 17.340 18.089 0.202 543 HB2 ASP 65 2HB ASP 65 15.776 20.219 -0.130 544 HB3 ASP 65 3HB ASP 65 16.539 19.405 -1.493 545 H THR 66 H THR 66 17.722 18.857 2.183 546 HA THR 66 HA THR 66 16.091 18.235 4.362 547 HB THR 66 HB THR 66 17.557 19.647 5.707 548 HG1 THR 66 HG1 THR 66 17.987 21.439 4.554 549 HG21 THR 66 3HG2 THR 66 18.575 17.594 5.329 550 HG22 THR 66 1HG2 THR 66 19.808 18.732 4.787 551 HG23 THR 66 2HG2 THR 66 18.792 17.905 3.607 552 H SER 67 H SER 67 15.963 20.878 2.174 553 HA SER 67 HA SER 67 14.756 22.831 3.798 554 HB2 SER 67 2HB SER 67 15.545 22.648 1.135 555 HB3 SER 67 3HB SER 67 13.798 22.872 1.048 556 HG SER 67 HG SER 67 14.750 24.885 1.126 557 H THR 68 H THR 68 13.576 19.874 2.606 558 HA THR 68 HA THR 68 10.784 20.703 3.024 559 HB THR 68 HB THR 68 10.178 18.582 1.870 560 HG1 THR 68 HG1 THR 68 12.035 17.662 0.633 561 HG21 THR 68 3HG2 THR 68 10.030 20.217 0.307 562 HG22 THR 68 1HG2 THR 68 11.420 19.379 -0.383 563 HG23 THR 68 2HG2 THR 68 11.660 20.812 0.618 564 H ASN 69 H ASN 69 13.327 18.698 4.232 565 HA ASN 69 HA ASN 69 11.574 17.835 6.413 566 HB2 ASN 69 2HB ASN 69 12.496 15.559 6.345 567 HB3 ASN 69 3HB ASN 69 11.665 15.952 4.843 568 HD21 ASN 69 2HD2 ASN 69 14.942 14.292 4.178 569 HD22 ASN 69 1HD2 ASN 69 13.582 13.908 5.172 570 HA PRO 70 HA PRO 70 15.719 19.542 7.754 571 HB2 PRO 70 2HB PRO 70 14.699 21.425 9.422 572 HB3 PRO 70 3HB PRO 70 14.988 21.719 7.703 573 HG2 PRO 70 2HG PRO 70 12.433 21.033 9.103 574 HG3 PRO 70 3HG PRO 70 12.722 22.228 7.825 575 HD2 PRO 70 2HD PRO 70 11.650 19.792 7.326 576 HD3 PRO 70 3HD PRO 70 12.683 20.638 6.156 577 H GLU 71 H GLU 71 12.756 19.085 9.678 578 HA GLU 71 HA GLU 71 14.120 18.506 12.098 579 HB2 GLU 71 2HB GLU 71 11.304 18.223 11.133 580 HB3 GLU 71 3HB GLU 71 11.780 17.421 12.623 581 HG2 GLU 71 2HG GLU 71 12.752 19.844 13.140 582 HG3 GLU 71 3HG GLU 71 11.458 20.298 12.033 583 H ALA 72 H ALA 72 13.309 16.635 9.319 584 HA ALA 72 HA ALA 72 13.169 14.060 10.355 585 HB1 ALA 72 1HB ALA 72 13.944 13.317 8.118 586 HB2 ALA 72 2HB ALA 72 12.632 14.494 8.054 587 HB3 ALA 72 3HB ALA 72 14.287 15.001 7.719 588 H ARG 73 H ARG 73 15.881 16.178 10.032 589 HA ARG 73 HA ARG 73 17.897 14.145 10.170 590 HB2 ARG 73 2HB ARG 73 17.795 17.011 9.852 591 HB3 ARG 73 3HB ARG 73 18.994 16.575 11.063 592 HG2 ARG 73 2HG ARG 73 19.519 14.784 9.069 593 HG3 ARG 73 3HG ARG 73 19.030 16.220 8.167 594 HD2 ARG 73 2HD ARG 73 21.233 15.988 10.208 595 HD3 ARG 73 3HD ARG 73 21.396 16.319 8.484 596 HE ARG 73 HE ARG 73 20.773 18.202 10.556 597 HH11 ARG 73 1HH1 ARG 73 20.454 17.488 7.164 598 HH12 ARG 73 2HH1 ARG 73 20.267 19.147 6.699 599 HH21 ARG 73 2HH2 ARG 73 20.310 20.796 8.288 600 HH22 ARG 73 1HH2 ARG 73 20.528 20.390 9.957 601 H GLU 74 H GLU 74 16.831 16.645 12.485 602 HA GLU 74 HA GLU 74 18.301 15.733 14.669 603 HB2 GLU 74 2HB GLU 74 16.858 17.897 14.320 604 HB3 GLU 74 3HB GLU 74 15.587 16.935 15.060 605 HG2 GLU 74 2HG GLU 74 17.170 16.518 16.971 606 HG3 GLU 74 3HG GLU 74 18.222 17.738 16.255 607 H TRP 75 H TRP 75 15.432 14.479 13.231 608 HA TRP 75 HA TRP 75 14.189 13.162 15.312 609 HB2 TRP 75 2HB TRP 75 13.627 13.290 12.752 610 HB3 TRP 75 3HB TRP 75 14.519 11.772 12.678 611 HD1 TRP 75 HD1 TRP 75 11.256 13.270 13.959 612 HE1 TRP 75 HE1 TRP 75 9.676 11.357 14.646 613 HE3 TRP 75 HE3 TRP 75 14.509 9.348 13.556 614 HZ2 TRP 75 HZ2 TRP 75 9.795 8.556 14.973 615 HZ3 TRP 75 HZ3 TRP 75 13.697 7.084 14.074 616 HH2 TRP 75 HH2 TRP 75 11.388 6.698 14.769 617 H TYR 76 H TYR 76 16.990 12.127 13.413 618 HA TYR 76 HA TYR 76 17.509 10.076 15.460 619 HB2 TYR 76 2HB TYR 76 16.682 9.129 13.267 620 HB3 TYR 76 3HB TYR 76 18.153 9.750 12.527 621 HD1 TYR 76 HD1 TYR 76 17.403 7.896 15.692 622 HD2 TYR 76 HD2 TYR 76 19.657 8.065 12.087 623 HE1 TYR 76 HE1 TYR 76 18.590 5.843 16.345 624 HE2 TYR 76 HE2 TYR 76 20.849 6.012 12.730 625 HH TYR 76 HH TYR 76 20.189 3.935 14.364 626 H ASN 77 H ASN 77 18.493 12.915 14.669 627 HA ASN 77 HA ASN 77 20.447 14.088 14.642 628 HB2 ASN 77 2HB ASN 77 20.730 13.341 16.870 629 HB3 ASN 77 3HB ASN 77 21.150 11.710 16.355 630 HD21 ASN 77 2HD2 ASN 77 23.972 14.609 15.723 631 HD22 ASN 77 1HD2 ASN 77 22.304 14.925 15.400 632 H ILE 78 H ILE 78 20.925 14.032 12.452 633 HA ILE 78 HA ILE 78 22.613 11.854 11.468 634 HB ILE 78 HB ILE 78 21.022 14.007 10.127 635 HG12 ILE 78 2HG1 ILE 78 20.038 11.772 10.602 636 HG13 ILE 78 3HG1 ILE 78 20.104 12.140 8.881 637 HG21 ILE 78 1HG2 ILE 78 22.096 13.235 7.966 638 HG22 ILE 78 2HG2 ILE 78 23.077 14.271 9.002 639 HG23 ILE 78 3HG2 ILE 78 23.369 12.532 8.964 640 HD11 ILE 78 3HD1 ILE 78 20.734 9.863 9.212 641 HD12 ILE 78 1HD1 ILE 78 22.165 10.773 8.729 642 HD13 ILE 78 2HD1 ILE 78 21.936 10.320 10.418 643 H THR 79 H THR 79 24.735 12.070 11.630 644 HA THR 79 HA THR 79 25.949 14.669 12.012 645 HB THR 79 HB THR 79 28.097 13.283 12.086 646 HG1 THR 79 HG1 THR 79 27.431 10.978 12.636 647 HG21 THR 79 3HG2 THR 79 27.696 13.584 14.258 648 HG22 THR 79 1HG2 THR 79 26.834 12.046 14.260 649 HG23 THR 79 2HG2 THR 79 25.953 13.551 13.991 650 H SER 80 H SER 80 25.848 12.163 9.535 651 HA SER 80 HA SER 80 27.477 13.866 7.776 652 HB2 SER 80 2HB SER 80 26.818 11.192 6.778 653 HB3 SER 80 3HB SER 80 28.384 11.993 6.904 654 HG SER 80 HG SER 80 28.681 11.150 8.846 655 H VAL 81 H VAL 81 26.541 14.914 6.153 656 HA VAL 81 HA VAL 81 23.723 14.712 5.708 657 HB VAL 81 HB VAL 81 25.103 16.145 3.613 658 HG11 VAL 81 1HG1 VAL 81 23.619 17.864 4.178 659 HG12 VAL 81 2HG1 VAL 81 22.735 16.385 4.558 660 HG13 VAL 81 3HG1 VAL 81 23.486 17.322 5.851 661 HG21 VAL 81 3HG2 VAL 81 26.025 17.922 5.157 662 HG22 VAL 81 1HG2 VAL 81 25.905 16.732 6.453 663 HG23 VAL 81 2HG2 VAL 81 26.952 16.424 5.068 664 HA PRO 82 HA PRO 82 25.062 13.016 1.386 665 HB2 PRO 82 2HB PRO 82 27.674 12.351 1.062 666 HB3 PRO 82 3HB PRO 82 27.044 13.966 0.718 667 HG2 PRO 82 2HG PRO 82 28.489 12.974 3.145 668 HG3 PRO 82 3HG PRO 82 28.700 14.497 2.262 669 HD2 PRO 82 2HD PRO 82 27.287 14.333 4.566 670 HD3 PRO 82 3HD PRO 82 26.881 15.484 3.276 671 H THR 83 H THR 83 23.874 11.393 2.762 672 HA THR 83 HA THR 83 25.514 8.968 3.116 673 HB THR 83 HB THR 83 22.954 9.071 4.573 674 HG1 THR 83 HG1 THR 83 24.212 11.241 4.716 675 HG21 THR 83 3HG2 THR 83 23.979 7.535 5.843 676 HG22 THR 83 1HG2 THR 83 25.414 8.538 6.045 677 HG23 THR 83 2HG2 THR 83 25.239 7.529 4.609 678 H PHE 84 H PHE 84 24.250 6.923 2.898 679 HA PHE 84 HA PHE 84 22.001 7.167 1.028 680 HB2 PHE 84 2HB PHE 84 24.625 5.862 0.560 681 HB3 PHE 84 3HB PHE 84 23.201 4.994 -0.005 682 HD1 PHE 84 HD1 PHE 84 24.739 8.386 -0.121 683 HD2 PHE 84 HD2 PHE 84 22.377 5.453 -2.104 684 HE1 PHE 84 HE1 PHE 84 24.687 9.796 -2.137 685 HE2 PHE 84 HE2 PHE 84 22.321 6.857 -4.123 686 HZ PHE 84 HZ PHE 84 23.478 9.032 -4.142 687 H VAL 85 H VAL 85 20.336 6.211 1.981 688 HA VAL 85 HA VAL 85 20.823 3.771 3.561 689 HB VAL 85 HB VAL 85 18.328 5.416 3.816 690 HG11 VAL 85 1HG1 VAL 85 18.708 3.073 4.815 691 HG12 VAL 85 2HG1 VAL 85 19.763 3.898 5.965 692 HG13 VAL 85 3HG1 VAL 85 18.057 4.336 5.860 693 HG21 VAL 85 3HG2 VAL 85 21.045 6.129 4.720 694 HG22 VAL 85 1HG2 VAL 85 19.650 7.157 4.390 695 HG23 VAL 85 2HG2 VAL 85 19.762 6.288 5.920 696 H ILE 86 H ILE 86 19.844 1.924 2.986 697 HA ILE 86 HA ILE 86 17.976 2.032 0.714 698 HB ILE 86 HB ILE 86 19.364 -0.480 1.569 699 HG12 ILE 86 2HG1 ILE 86 20.540 1.647 -0.234 700 HG13 ILE 86 3HG1 ILE 86 21.126 1.231 1.373 701 HG21 ILE 86 1HG2 ILE 86 17.660 0.350 -0.568 702 HG22 ILE 86 2HG2 ILE 86 19.210 -0.172 -1.226 703 HG23 ILE 86 3HG2 ILE 86 18.276 -1.260 -0.200 704 HD11 ILE 86 3HD1 ILE 86 21.465 -0.175 -1.197 705 HD12 ILE 86 1HD1 ILE 86 22.573 -0.004 0.164 706 HD13 ILE 86 2HD1 ILE 86 21.258 -1.178 0.239 707 H GLU 87 H GLU 87 15.918 1.596 1.114 708 HA GLU 87 HA GLU 87 15.265 -0.163 3.386 709 HB2 GLU 87 2HB GLU 87 13.407 1.186 3.968 710 HB3 GLU 87 3HB GLU 87 14.754 2.293 3.747 711 HG2 GLU 87 2HG GLU 87 13.140 3.417 2.615 712 HG3 GLU 87 3HG GLU 87 13.796 2.441 1.302 713 H LYS 88 H LYS 88 13.684 -1.678 3.081 714 HA LYS 88 HA LYS 88 12.613 -1.896 0.344 715 HB2 LYS 88 2HB LYS 88 14.202 -3.680 0.892 716 HB3 LYS 88 3HB LYS 88 13.257 -4.099 2.315 717 HG2 LYS 88 2HG LYS 88 11.931 -5.414 1.125 718 HG3 LYS 88 3HG LYS 88 11.597 -4.123 -0.031 719 HD2 LYS 88 2HD LYS 88 12.652 -5.497 -1.475 720 HD3 LYS 88 3HD LYS 88 14.109 -4.799 -0.763 721 HE2 LYS 88 2HE LYS 88 13.346 -6.889 0.941 722 HE3 LYS 88 3HE LYS 88 13.158 -7.514 -0.697 723 HZ1 LYS 88 3HZ LYS 88 15.511 -7.224 0.744 724 HZ2 LYS 88 1HZ LYS 88 15.578 -6.081 -0.501 725 HZ3 LYS 88 2HZ LYS 88 15.342 -7.716 -0.865 726 H GLY 89 H GLY 89 10.922 -0.425 1.322 727 HA2 GLY 89 2HA GLY 89 8.828 -0.085 2.216 728 HA3 GLY 89 3HA GLY 89 8.511 -1.705 1.612 729 H GLY 90 H GLY 90 10.753 -0.770 4.186 730 HA2 GLY 90 2HA GLY 90 8.989 -1.530 6.305 731 HA3 GLY 90 3HA GLY 90 10.137 -2.806 5.929 732 H GLU 91 H GLU 91 12.313 -2.533 6.414 733 HA GLU 91 HA GLU 91 12.990 -0.108 7.940 734 HB2 GLU 91 2HB GLU 91 14.534 -1.951 9.167 735 HB3 GLU 91 3HB GLU 91 12.945 -1.471 9.745 736 HG2 GLU 91 2HG GLU 91 13.196 -3.724 7.807 737 HG3 GLU 91 3HG GLU 91 13.550 -3.985 9.514 738 HA PRO 92 HA PRO 92 16.720 0.171 5.650 739 HB2 PRO 92 2HB PRO 92 18.561 0.833 7.533 740 HB3 PRO 92 3HB PRO 92 17.312 1.952 6.975 741 HG2 PRO 92 2HG PRO 92 17.375 0.262 9.446 742 HG3 PRO 92 3HG PRO 92 16.865 1.950 9.258 743 HD2 PRO 92 2HD PRO 92 15.100 -0.098 9.406 744 HD3 PRO 92 3HD PRO 92 14.789 1.364 8.447 745 H LEU 93 H LEU 93 17.922 -1.385 4.776 746 HA LEU 93 HA LEU 93 19.026 -3.471 6.540 747 HB2 LEU 93 2HB LEU 93 17.251 -3.891 4.587 748 HB3 LEU 93 3HB LEU 93 18.733 -3.977 3.637 749 HG LEU 93 HG LEU 93 18.167 -6.198 4.216 750 HD11 LEU 93 1HD1 LEU 93 20.569 -5.341 4.612 751 HD12 LEU 93 2HD1 LEU 93 20.118 -6.928 5.234 752 HD13 LEU 93 3HD1 LEU 93 20.189 -5.542 6.322 753 HD21 LEU 93 3HD2 LEU 93 18.146 -5.604 7.144 754 HD22 LEU 93 1HD2 LEU 93 17.412 -6.945 6.263 755 HD23 LEU 93 2HD2 LEU 93 16.692 -5.336 6.180 756 H GLY 94 H GLY 94 19.644 -1.327 3.825 757 HA2 GLY 94 2HA GLY 94 22.467 -2.161 3.819 758 HA3 GLY 94 3HA GLY 94 21.663 -1.284 2.526 759 H GLU 95 H GLU 95 24.045 -0.350 3.349 760 HA GLU 95 HA GLU 95 23.391 2.285 4.237 761 HB2 GLU 95 2HB GLU 95 24.587 2.356 6.292 762 HB3 GLU 95 3HB GLU 95 23.502 0.976 6.390 763 HG2 GLU 95 2HG GLU 95 25.724 -0.203 5.402 764 HG3 GLU 95 3HG GLU 95 26.433 1.081 6.380 765 H VAL 96 H VAL 96 24.785 3.695 3.371 766 HA VAL 96 HA VAL 96 27.520 2.867 2.773 767 HB VAL 96 HB VAL 96 25.654 3.958 0.662 768 HG11 VAL 96 1HG1 VAL 96 27.569 3.757 -0.853 769 HG12 VAL 96 2HG1 VAL 96 27.893 4.897 0.455 770 HG13 VAL 96 3HG1 VAL 96 28.589 3.276 0.503 771 HG21 VAL 96 3HG2 VAL 96 26.163 1.807 -0.485 772 HG22 VAL 96 1HG2 VAL 96 26.980 1.269 0.982 773 HG23 VAL 96 2HG2 VAL 96 25.251 1.616 1.012 774 H LYS 97 H LYS 97 28.986 4.550 2.662 775 HA LYS 97 HA LYS 97 28.068 7.295 2.718 776 HB2 LYS 97 2HB LYS 97 28.914 7.878 4.849 777 HB3 LYS 97 3HB LYS 97 27.957 6.424 5.101 778 HG2 LYS 97 2HG LYS 97 29.717 5.613 6.182 779 HG3 LYS 97 3HG LYS 97 30.486 5.445 4.601 780 HD2 LYS 97 2HD LYS 97 30.662 8.139 5.737 781 HD3 LYS 97 3HD LYS 97 31.478 6.900 6.694 782 HE2 LYS 97 2HE LYS 97 32.366 6.191 4.289 783 HE3 LYS 97 3HE LYS 97 32.068 7.897 3.960 784 HZ1 LYS 97 3HZ LYS 97 33.502 8.486 5.792 785 HZ2 LYS 97 1HZ LYS 97 34.338 7.480 4.720 786 HZ3 LYS 97 2HZ LYS 97 33.748 6.857 6.177 787 H GLY 98 H GLY 98 29.656 8.773 2.152 788 HA2 GLY 98 2HA GLY 98 31.923 9.434 1.800 789 HA3 GLY 98 3HA GLY 98 32.376 7.737 1.748 790 HA PRO 99 HA PRO 99 31.833 9.595 -2.576 791 HB2 PRO 99 2HB PRO 99 34.448 9.559 -3.305 792 HB3 PRO 99 3HB PRO 99 33.690 10.947 -2.517 793 HG2 PRO 99 2HG PRO 99 35.386 8.786 -1.328 794 HG3 PRO 99 3HG PRO 99 35.427 10.533 -1.027 795 HD2 PRO 99 2HD PRO 99 34.218 8.793 0.659 796 HD3 PRO 99 3HD PRO 99 33.636 10.453 0.421 797 H ASP 100 H ASP 100 30.828 7.487 -2.821 798 HA ASP 100 HA ASP 100 32.571 5.644 -4.269 799 HB2 ASP 100 2HB ASP 100 31.738 3.692 -3.112 800 HB3 ASP 100 3HB ASP 100 32.407 4.810 -1.926 801 H ILE 101 H ILE 101 30.895 7.383 -5.479 802 HA ILE 101 HA ILE 101 28.255 6.571 -5.893 803 HB ILE 101 HB ILE 101 30.187 8.104 -7.608 804 HG12 ILE 101 2HG1 ILE 101 29.211 9.179 -5.599 805 HG13 ILE 101 3HG1 ILE 101 28.717 9.972 -7.091 806 HG21 ILE 101 1HG2 ILE 101 27.530 7.001 -8.353 807 HG22 ILE 101 2HG2 ILE 101 27.944 8.625 -8.899 808 HG23 ILE 101 3HG2 ILE 101 28.967 7.259 -9.343 809 HD11 ILE 101 3HD1 ILE 101 27.088 8.114 -5.381 810 HD12 ILE 101 1HD1 ILE 101 26.824 9.835 -5.662 811 HD13 ILE 101 2HD1 ILE 101 26.588 8.680 -6.974 812 H ASP 102 H ASP 102 31.252 5.389 -7.238 813 HA ASP 102 HA ASP 102 30.024 3.873 -9.342 814 HB2 ASP 102 2HB ASP 102 32.721 4.446 -8.418 815 HB3 ASP 102 3HB ASP 102 32.529 2.752 -8.860 816 H LYS 103 H LYS 103 31.407 3.098 -6.164 817 HA LYS 103 HA LYS 103 30.868 0.316 -6.315 818 HB2 LYS 103 2HB LYS 103 32.499 1.569 -4.761 819 HB3 LYS 103 3HB LYS 103 31.094 1.866 -3.746 820 HG2 LYS 103 2HG LYS 103 30.727 -0.586 -3.632 821 HG3 LYS 103 3HG LYS 103 32.236 -0.809 -4.519 822 HD2 LYS 103 2HD LYS 103 33.057 -0.975 -2.404 823 HD3 LYS 103 3HD LYS 103 33.140 0.780 -2.580 824 HE2 LYS 103 2HE LYS 103 30.883 0.917 -1.527 825 HE3 LYS 103 3HE LYS 103 30.971 -0.817 -1.225 826 HZ1 LYS 103 3HZ LYS 103 33.072 -0.344 0.022 827 HZ2 LYS 103 1HZ LYS 103 31.665 0.265 0.738 828 HZ3 LYS 103 2HZ LYS 103 32.707 1.303 -0.097 829 H LEU 104 H LEU 104 28.895 3.031 -5.709 830 HA LEU 104 HA LEU 104 26.977 2.069 -3.956 831 HB2 LEU 104 2HB LEU 104 27.177 4.386 -4.937 832 HB3 LEU 104 3HB LEU 104 26.377 3.755 -6.375 833 HG LEU 104 HG LEU 104 24.603 3.030 -4.466 834 HD11 LEU 104 1HD1 LEU 104 24.594 4.318 -2.634 835 HD12 LEU 104 2HD1 LEU 104 25.083 5.760 -3.523 836 HD13 LEU 104 3HD1 LEU 104 26.296 4.587 -3.011 837 HD21 LEU 104 3HD2 LEU 104 23.960 5.692 -5.179 838 HD22 LEU 104 1HD2 LEU 104 23.366 4.191 -5.892 839 HD23 LEU 104 2HD2 LEU 104 24.811 4.965 -6.543 840 H ARG 105 H ARG 105 27.336 1.516 -7.417 841 HA ARG 105 HA ARG 105 24.864 0.248 -7.859 842 HB2 ARG 105 2HB ARG 105 25.790 -0.521 -9.928 843 HB3 ARG 105 3HB ARG 105 26.423 1.093 -9.631 844 HG2 ARG 105 2HG ARG 105 28.399 -0.285 -8.532 845 HG3 ARG 105 3HG ARG 105 27.817 -1.521 -9.649 846 HD2 ARG 105 2HD ARG 105 28.053 0.041 -11.510 847 HD3 ARG 105 3HD ARG 105 28.606 1.292 -10.398 848 HE ARG 105 HE ARG 105 30.357 -0.720 -9.970 849 HH11 ARG 105 1HH1 ARG 105 29.240 0.900 -12.842 850 HH12 ARG 105 2HH1 ARG 105 30.725 0.672 -13.706 851 HH21 ARG 105 2HH2 ARG 105 32.474 -0.425 -12.713 852 HH22 ARG 105 1HH2 ARG 105 32.317 -1.027 -11.097 853 H GLU 106 H GLU 106 27.940 -0.931 -6.657 854 HA GLU 106 HA GLU 106 27.182 -3.703 -6.792 855 HB2 GLU 106 2HB GLU 106 29.415 -2.652 -5.085 856 HB3 GLU 106 3HB GLU 106 29.300 -4.188 -5.932 857 HG2 GLU 106 2HG GLU 106 29.461 -2.930 -8.079 858 HG3 GLU 106 3HG GLU 106 29.778 -1.475 -7.136 859 H THR 107 H THR 107 27.686 -1.368 -4.151 860 HA THR 107 HA THR 107 26.964 -3.006 -2.026 861 HB THR 107 HB THR 107 26.221 -0.096 -2.049 862 HG1 THR 107 HG1 THR 107 28.848 -0.888 -1.437 863 HG21 THR 107 3HG2 THR 107 25.870 -0.627 0.098 864 HG22 THR 107 1HG2 THR 107 27.624 -0.718 0.249 865 HG23 THR 107 2HG2 THR 107 26.689 -2.179 -0.070 866 H LEU 108 H LEU 108 24.959 -1.216 -4.281 867 HA LEU 108 HA LEU 108 22.527 -1.774 -2.812 868 HB2 LEU 108 2HB LEU 108 21.536 -0.250 -4.139 869 HB3 LEU 108 3HB LEU 108 23.203 0.238 -4.440 870 HG LEU 108 HG LEU 108 22.974 -1.483 -6.435 871 HD11 LEU 108 1HD1 LEU 108 20.467 -1.729 -5.448 872 HD12 LEU 108 2HD1 LEU 108 20.907 -2.021 -7.130 873 HD13 LEU 108 3HD1 LEU 108 20.227 -0.466 -6.654 874 HD21 LEU 108 3HD2 LEU 108 23.228 1.146 -6.288 875 HD22 LEU 108 1HD2 LEU 108 21.572 1.096 -6.895 876 HD23 LEU 108 2HD2 LEU 108 22.871 0.333 -7.812 877 H ASP 109 H ASP 109 24.382 -3.191 -5.353 878 HA ASP 109 HA ASP 109 22.246 -4.768 -6.450 879 HB2 ASP 109 2HB ASP 109 23.894 -4.446 -8.034 880 HB3 ASP 109 3HB ASP 109 25.198 -4.587 -6.859 881 H GLU 110 H GLU 110 25.043 -5.434 -4.356 882 HA GLU 110 HA GLU 110 24.657 -8.153 -3.983 883 HB2 GLU 110 2HB GLU 110 25.659 -6.173 -1.930 884 HB3 GLU 110 3HB GLU 110 25.932 -7.909 -1.912 885 HG2 GLU 110 2HG GLU 110 26.822 -6.277 -4.248 886 HG3 GLU 110 3HG GLU 110 27.786 -6.323 -2.773 887 H LEU 111 H LEU 111 22.841 -5.489 -2.757 888 HA LEU 111 HA LEU 111 21.475 -7.174 -0.792 889 HB2 LEU 111 2HB LEU 111 21.991 -5.123 0.167 890 HB3 LEU 111 3HB LEU 111 21.602 -4.229 -1.301 891 HG LEU 111 HG LEU 111 19.370 -5.622 0.069 892 HD11 LEU 111 1HD1 LEU 111 20.644 -3.108 1.138 893 HD12 LEU 111 2HD1 LEU 111 20.553 -4.666 1.957 894 HD13 LEU 111 3HD1 LEU 111 19.079 -3.754 1.633 895 HD21 LEU 111 3HD2 LEU 111 18.614 -4.474 -1.762 896 HD22 LEU 111 1HD2 LEU 111 19.819 -3.196 -1.598 897 HD23 LEU 111 2HD2 LEU 111 18.426 -3.239 -0.516 898 H LEU 112 H LEU 112 20.714 -5.050 -3.544 899 HA LEU 112 HA LEU 112 17.970 -5.596 -3.654 900 HB2 LEU 112 2HB LEU 112 19.217 -3.766 -4.846 901 HB3 LEU 112 3HB LEU 112 19.740 -4.981 -6.010 902 HG LEU 112 HG LEU 112 17.463 -5.335 -6.728 903 HD11 LEU 112 1HD1 LEU 112 16.802 -3.501 -4.449 904 HD12 LEU 112 2HD1 LEU 112 16.160 -5.105 -4.802 905 HD13 LEU 112 3HD1 LEU 112 15.700 -3.731 -5.808 906 HD21 LEU 112 3HD2 LEU 112 18.934 -3.009 -7.120 907 HD22 LEU 112 1HD2 LEU 112 17.290 -2.453 -6.807 908 HD23 LEU 112 2HD2 LEU 112 17.599 -3.599 -8.111 909 H ALA 113 H ALA 113 20.671 -7.516 -4.515 910 HA ALA 113 HA ALA 113 19.396 -9.167 -6.461 911 HB1 ALA 113 1HB ALA 113 21.328 -10.728 -5.929 912 HB2 ALA 113 2HB ALA 113 21.747 -9.125 -6.533 913 HB3 ALA 113 3HB ALA 113 21.888 -9.483 -4.812 914 H ARG 114 H ARG 114 19.463 -9.092 -2.999 915 HA ARG 114 HA ARG 114 18.834 -11.761 -2.424 916 HB2 ARG 114 2HB ARG 114 18.203 -9.195 -0.969 917 HB3 ARG 114 3HB ARG 114 17.807 -10.780 -0.319 918 HG2 ARG 114 2HG ARG 114 20.452 -11.056 -0.971 919 HG3 ARG 114 3HG ARG 114 20.359 -9.381 -0.424 920 HD2 ARG 114 2HD ARG 114 19.534 -10.008 1.689 921 HD3 ARG 114 3HD ARG 114 19.148 -11.639 1.143 922 HE ARG 114 HE ARG 114 21.917 -11.193 0.894 923 HH11 ARG 114 1HH1 ARG 114 19.461 -11.667 3.316 924 HH12 ARG 114 2HH1 ARG 114 20.549 -12.367 4.468 925 HH21 ARG 114 2HH2 ARG 114 22.766 -12.620 3.948 926 HH22 ARG 114 1HH2 ARG 114 23.359 -12.114 2.402 927 H LEU 115 H LEU 115 16.676 -8.959 -2.852 928 HA LEU 115 HA LEU 115 14.247 -10.213 -2.472 929 HB2 LEU 115 2HB LEU 115 14.246 -7.876 -2.674 930 HB3 LEU 115 3HB LEU 115 15.071 -7.927 -4.230 931 HG LEU 115 HG LEU 115 12.377 -9.153 -4.099 932 HD11 LEU 115 1HD1 LEU 115 12.262 -7.006 -2.771 933 HD12 LEU 115 2HD1 LEU 115 11.195 -7.114 -4.170 934 HD13 LEU 115 3HD1 LEU 115 12.680 -6.167 -4.266 935 HD21 LEU 115 3HD2 LEU 115 13.980 -7.549 -6.071 936 HD22 LEU 115 1HD2 LEU 115 12.267 -7.899 -6.310 937 HD23 LEU 115 2HD2 LEU 115 13.430 -9.221 -6.199 938 H GLU 116 H GLU 116 16.362 -10.287 -5.255 939 HA GLU 116 HA GLU 116 14.652 -11.201 -7.227 940 HB2 GLU 116 2HB GLU 116 17.342 -10.777 -7.049 941 HB3 GLU 116 3HB GLU 116 17.279 -12.529 -7.175 942 HG2 GLU 116 2HG GLU 116 15.765 -12.159 -9.192 943 HG3 GLU 116 3HG GLU 116 16.301 -10.481 -9.130 Start of MODEL 6 1 H1 MET 1 H MET 1 2.900 5.266 -2.863 2 HA MET 1 HA MET 1 4.765 3.513 -2.975 3 HB2 MET 1 2HB MET 1 3.756 2.093 -1.226 4 HB3 MET 1 3HB MET 1 3.523 3.807 -0.910 5 HG2 MET 1 2HG MET 1 1.326 3.566 -0.855 6 HG3 MET 1 3HG MET 1 1.319 2.763 -2.423 7 HE1 MET 1 3HE MET 1 -0.868 0.611 -1.262 8 HE2 MET 1 1HE MET 1 0.087 1.146 -2.646 9 HE3 MET 1 2HE MET 1 0.325 -0.470 -1.982 10 H ALA 2 H ALA 2 3.944 3.200 -5.502 11 HA ALA 2 HA ALA 2 3.385 0.322 -5.647 12 HB1 ALA 2 1HB ALA 2 2.169 2.265 -7.592 13 HB2 ALA 2 2HB ALA 2 1.806 0.551 -7.385 14 HB3 ALA 2 3HB ALA 2 1.328 1.710 -6.145 15 H ARG 3 H ARG 3 3.738 -0.385 -8.071 16 HA ARG 3 HA ARG 3 6.476 0.132 -8.644 17 HB2 ARG 3 2HB ARG 3 4.382 -1.663 -9.605 18 HB3 ARG 3 3HB ARG 3 5.454 -1.119 -10.889 19 HG2 ARG 3 2HG ARG 3 7.166 -1.791 -8.817 20 HG3 ARG 3 3HG ARG 3 5.917 -3.037 -8.779 21 HD2 ARG 3 2HD ARG 3 6.368 -2.903 -11.429 22 HD3 ARG 3 3HD ARG 3 7.963 -2.456 -10.824 23 HE ARG 3 HE ARG 3 7.327 -4.675 -9.395 24 HH11 ARG 3 1HH1 ARG 3 7.442 -3.930 -12.793 25 HH12 ARG 3 2HH1 ARG 3 7.845 -5.547 -13.267 26 HH21 ARG 3 2HH2 ARG 3 8.079 -7.184 -11.681 27 HH22 ARG 3 1HH2 ARG 3 7.857 -6.808 -10.006 28 HA PRO 4 HA PRO 4 6.325 3.432 -11.530 29 HB2 PRO 4 2HB PRO 4 8.155 2.676 -13.387 30 HB3 PRO 4 3HB PRO 4 8.600 3.211 -11.762 31 HG2 PRO 4 2HG PRO 4 8.351 0.428 -12.838 32 HG3 PRO 4 3HG PRO 4 9.604 1.114 -11.787 33 HD2 PRO 4 2HD PRO 4 7.577 -0.408 -10.835 34 HD3 PRO 4 3HD PRO 4 8.306 0.909 -9.894 35 H SER 5 H SER 5 6.446 0.295 -13.227 36 HA SER 5 HA SER 5 5.408 -0.458 -15.112 37 HB2 SER 5 2HB SER 5 3.306 1.122 -13.685 38 HB3 SER 5 3HB SER 5 2.949 0.489 -15.292 39 HG SER 5 HG SER 5 3.063 -1.526 -14.547 40 H ASN 6 H ASN 6 7.164 1.233 -15.954 41 HA ASN 6 HA ASN 6 5.972 2.452 -18.250 42 HB2 ASN 6 2HB ASN 6 6.163 4.082 -15.986 43 HB3 ASN 6 3HB ASN 6 7.534 4.545 -16.989 44 HD21 ASN 6 2HD2 ASN 6 4.097 6.151 -17.798 45 HD22 ASN 6 1HD2 ASN 6 4.670 5.575 -16.273 46 H VAL 7 H VAL 7 7.897 3.981 -19.248 47 HA VAL 7 HA VAL 7 9.843 2.229 -20.152 48 HB VAL 7 HB VAL 7 11.071 4.210 -20.963 49 HG11 VAL 7 1HG1 VAL 7 8.445 3.417 -21.615 50 HG12 VAL 7 2HG1 VAL 7 8.491 5.178 -21.715 51 HG13 VAL 7 3HG1 VAL 7 9.630 4.210 -22.651 52 HG21 VAL 7 3HG2 VAL 7 9.440 5.522 -18.911 53 HG22 VAL 7 1HG2 VAL 7 10.993 5.993 -19.602 54 HG23 VAL 7 2HG2 VAL 7 9.497 6.375 -20.454 55 H LYS 8 H LYS 8 9.886 4.392 -17.385 56 HA LYS 8 HA LYS 8 12.031 2.928 -16.179 57 HB2 LYS 8 2HB LYS 8 12.557 5.515 -17.523 58 HB3 LYS 8 3HB LYS 8 13.251 5.321 -15.918 59 HG2 LYS 8 2HG LYS 8 14.937 4.224 -16.835 60 HG3 LYS 8 3HG LYS 8 13.812 2.943 -17.291 61 HD2 LYS 8 2HD LYS 8 13.314 4.211 -19.375 62 HD3 LYS 8 3HD LYS 8 14.578 5.359 -18.928 63 HE2 LYS 8 2HE LYS 8 16.255 3.653 -19.050 64 HE3 LYS 8 3HE LYS 8 15.035 2.399 -19.265 65 HZ1 LYS 8 3HZ LYS 8 15.829 2.789 -21.395 66 HZ2 LYS 8 1HZ LYS 8 15.906 4.465 -21.184 67 HZ3 LYS 8 2HZ LYS 8 14.406 3.703 -21.351 68 HA PRO 9 HA PRO 9 10.200 4.419 -12.481 69 HB2 PRO 9 2HB PRO 9 12.332 4.637 -10.815 70 HB3 PRO 9 3HB PRO 9 11.667 3.081 -11.324 71 HG2 PRO 9 2HG PRO 9 14.049 4.558 -12.376 72 HG3 PRO 9 3HG PRO 9 13.870 2.829 -12.026 73 HD2 PRO 9 2HD PRO 9 13.699 3.833 -14.535 74 HD3 PRO 9 3HD PRO 9 12.772 2.413 -14.009 75 H SER 10 H SER 10 13.037 6.216 -13.588 76 HA SER 10 HA SER 10 13.532 8.436 -13.603 77 HB2 SER 10 2HB SER 10 11.831 9.778 -14.247 78 HB3 SER 10 3HB SER 10 10.854 8.311 -14.193 79 HG SER 10 HG SER 10 9.870 9.031 -12.473 80 HA PRO 11 HA PRO 11 14.355 9.694 -9.483 81 HB2 PRO 11 2HB PRO 11 14.491 12.396 -9.710 82 HB3 PRO 11 3HB PRO 11 15.732 11.314 -10.352 83 HG2 PRO 11 2HG PRO 11 13.470 12.660 -11.778 84 HG3 PRO 11 3HG PRO 11 15.157 12.466 -12.289 85 HD2 PRO 11 2HD PRO 11 13.163 10.888 -13.219 86 HD3 PRO 11 3HD PRO 11 14.824 10.300 -13.002 87 H HIS 12 H HIS 12 13.185 9.951 -7.680 88 HA HIS 12 HA HIS 12 10.497 11.094 -7.923 89 HB2 HIS 12 2HB HIS 12 10.731 8.791 -7.014 90 HB3 HIS 12 3HB HIS 12 11.670 9.443 -5.674 91 HD1 HIS 12 HD1 HIS 12 9.641 8.267 -4.289 92 HD2 HIS 12 HD2 HIS 12 8.719 11.712 -6.421 93 HE1 HIS 12 HE1 HIS 12 7.476 9.100 -3.318 94 H VAL 13 H VAL 13 10.018 13.010 -7.077 95 HA VAL 13 HA VAL 13 11.906 14.191 -5.145 96 HB VAL 13 HB VAL 13 11.235 16.393 -5.961 97 HG11 VAL 13 1HG1 VAL 13 12.956 14.711 -7.158 98 HG12 VAL 13 2HG1 VAL 13 11.870 15.045 -8.509 99 HG13 VAL 13 3HG1 VAL 13 12.693 16.372 -7.688 100 HG21 VAL 13 3HG2 VAL 13 9.272 14.785 -7.489 101 HG22 VAL 13 1HG2 VAL 13 9.111 16.384 -6.763 102 HG23 VAL 13 2HG2 VAL 13 9.960 16.193 -8.297 103 H ILE 14 H ILE 14 11.116 15.205 -3.330 104 HA ILE 14 HA ILE 14 8.209 15.034 -2.885 105 HB ILE 14 HB ILE 14 8.645 14.492 -0.522 106 HG12 ILE 14 2HG1 ILE 14 11.111 13.501 -0.254 107 HG13 ILE 14 3HG1 ILE 14 11.464 14.744 -1.450 108 HG21 ILE 14 1HG2 ILE 14 8.813 12.235 -0.876 109 HG22 ILE 14 2HG2 ILE 14 8.452 12.786 -2.511 110 HG23 ILE 14 3HG2 ILE 14 10.112 12.405 -2.056 111 HD11 ILE 14 3HD1 ILE 14 11.704 16.106 0.287 112 HD12 ILE 14 1HD1 ILE 14 9.943 16.089 0.391 113 HD13 ILE 14 2HD1 ILE 14 10.896 14.988 1.387 114 H LYS 15 H LYS 15 7.575 16.380 -0.894 115 HA LYS 15 HA LYS 15 9.215 18.657 -0.290 116 HB2 LYS 15 2HB LYS 15 7.603 20.335 -1.176 117 HB3 LYS 15 3HB LYS 15 8.421 19.418 -2.434 118 HG2 LYS 15 2HG LYS 15 6.121 17.961 -1.928 119 HG3 LYS 15 3HG LYS 15 5.600 19.646 -1.846 120 HD2 LYS 15 2HD LYS 15 6.456 20.084 -4.040 121 HD3 LYS 15 3HD LYS 15 7.226 18.497 -4.111 122 HE2 LYS 15 2HE LYS 15 5.380 17.728 -5.082 123 HE3 LYS 15 3HE LYS 15 4.536 17.989 -3.557 124 HZ1 LYS 15 3HZ LYS 15 4.604 19.698 -5.952 125 HZ2 LYS 15 1HZ LYS 15 4.306 20.391 -4.437 126 HZ3 LYS 15 2HZ LYS 15 3.275 19.192 -5.037 127 H SER 16 H SER 16 7.724 16.500 1.054 128 HA SER 16 HA SER 16 6.447 18.146 3.061 129 HB2 SER 16 2HB SER 16 4.899 16.592 1.139 130 HB3 SER 16 3HB SER 16 4.555 16.128 2.805 131 HG SER 16 HG SER 16 3.992 18.473 1.467 132 H LEU 17 H LEU 17 5.920 16.912 5.020 133 HA LEU 17 HA LEU 17 8.004 15.081 5.657 134 HB2 LEU 17 2HB LEU 17 6.521 16.777 7.110 135 HB3 LEU 17 3HB LEU 17 5.648 15.280 7.434 136 HG LEU 17 HG LEU 17 7.787 14.283 8.234 137 HD11 LEU 17 1HD1 LEU 17 9.061 16.209 6.927 138 HD12 LEU 17 2HD1 LEU 17 9.747 15.426 8.350 139 HD13 LEU 17 3HD1 LEU 17 8.956 16.994 8.503 140 HD21 LEU 17 3HD2 LEU 17 7.791 15.465 10.373 141 HD22 LEU 17 1HD2 LEU 17 6.147 15.192 9.795 142 HD23 LEU 17 2HD2 LEU 17 6.879 16.790 9.647 143 H GLU 18 H GLU 18 4.459 14.712 5.519 144 HA GLU 18 HA GLU 18 4.286 12.013 6.057 145 HB2 GLU 18 2HB GLU 18 2.553 14.027 5.112 146 HB3 GLU 18 3HB GLU 18 2.416 12.692 3.977 147 HG2 GLU 18 2HG GLU 18 1.087 11.631 5.382 148 HG3 GLU 18 3HG GLU 18 2.376 11.598 6.584 149 H GLU 19 H GLU 19 4.684 13.567 2.882 150 HA GLU 19 HA GLU 19 4.648 11.344 1.259 151 HB2 GLU 19 2HB GLU 19 4.941 13.875 0.697 152 HB3 GLU 19 3HB GLU 19 6.660 13.515 0.780 153 HG2 GLU 19 2HG GLU 19 5.763 13.423 -1.506 154 HG3 GLU 19 3HG GLU 19 6.463 11.894 -0.979 155 H LEU 20 H LEU 20 7.270 12.556 3.264 156 HA LEU 20 HA LEU 20 9.269 10.808 2.249 157 HB2 LEU 20 2HB LEU 20 9.323 12.995 3.806 158 HB3 LEU 20 3HB LEU 20 9.466 11.749 5.043 159 HG LEU 20 HG LEU 20 11.417 10.859 3.610 160 HD11 LEU 20 1HD1 LEU 20 12.275 12.100 1.939 161 HD12 LEU 20 2HD1 LEU 20 11.859 13.629 2.714 162 HD13 LEU 20 3HD1 LEU 20 10.628 12.723 1.835 163 HD21 LEU 20 3HD2 LEU 20 12.969 12.229 4.797 164 HD22 LEU 20 1HD2 LEU 20 11.562 11.992 5.834 165 HD23 LEU 20 2HD2 LEU 20 11.778 13.519 4.978 166 H ARG 21 H ARG 21 7.678 10.790 5.445 167 HA ARG 21 HA ARG 21 8.527 8.299 6.274 168 HB2 ARG 21 2HB ARG 21 6.469 10.190 7.051 169 HB3 ARG 21 3HB ARG 21 5.937 8.531 7.290 170 HG2 ARG 21 2HG ARG 21 8.167 8.184 8.494 171 HG3 ARG 21 3HG ARG 21 8.271 9.946 8.523 172 HD2 ARG 21 2HD ARG 21 6.056 8.259 9.683 173 HD3 ARG 21 3HD ARG 21 7.301 9.119 10.589 174 HE ARG 21 HE ARG 21 6.041 11.033 9.072 175 HH11 ARG 21 1HH1 ARG 21 5.097 8.723 11.500 176 HH12 ARG 21 2HH1 ARG 21 3.798 9.696 12.107 177 HH21 ARG 21 2HH2 ARG 21 3.364 11.743 11.174 178 HH22 ARG 21 1HH2 ARG 21 4.334 12.323 9.862 179 H GLU 22 H GLU 22 6.003 9.126 4.021 180 HA GLU 22 HA GLU 22 4.855 6.477 3.998 181 HB2 GLU 22 2HB GLU 22 3.369 8.313 3.574 182 HB3 GLU 22 3HB GLU 22 4.398 8.918 2.283 183 HG2 GLU 22 2HG GLU 22 3.598 7.457 0.769 184 HG3 GLU 22 3HG GLU 22 3.402 6.166 1.953 185 H ALA 23 H ALA 23 7.178 8.313 2.138 186 HA ALA 23 HA ALA 23 7.290 6.589 -0.110 187 HB1 ALA 23 1HB ALA 23 8.777 8.897 0.890 188 HB2 ALA 23 2HB ALA 23 9.760 7.753 -0.025 189 HB3 ALA 23 3HB ALA 23 8.323 8.465 -0.759 190 H THR 24 H THR 24 8.621 6.425 3.069 191 HA THR 24 HA THR 24 10.741 4.597 2.440 192 HB THR 24 HB THR 24 10.406 4.220 5.088 193 HG1 THR 24 HG1 THR 24 9.365 5.856 6.020 194 HG21 THR 24 3HG2 THR 24 11.944 6.222 5.374 195 HG22 THR 24 1HG2 THR 24 11.750 6.495 3.643 196 HG23 THR 24 2HG2 THR 24 12.469 4.993 4.225 197 H ALA 25 H ALA 25 7.370 4.337 3.169 198 HA ALA 25 HA ALA 25 7.568 1.475 3.715 199 HB1 ALA 25 1HB ALA 25 6.094 2.898 5.106 200 HB2 ALA 25 2HB ALA 25 5.112 3.221 3.677 201 HB3 ALA 25 3HB ALA 25 5.238 1.579 4.307 202 H SER 26 H SER 26 7.848 3.054 1.023 203 HA SER 26 HA SER 26 5.779 2.291 -0.688 204 HB2 SER 26 2HB SER 26 7.221 2.848 -2.477 205 HB3 SER 26 3HB SER 26 7.739 3.883 -1.147 206 HG SER 26 HG SER 26 8.990 1.601 -2.219 207 H ASN 27 H ASN 27 6.001 0.687 -2.503 208 HA ASN 27 HA ASN 27 6.854 -1.882 -1.377 209 HB2 ASN 27 2HB ASN 27 5.342 -2.918 -2.953 210 HB3 ASN 27 3HB ASN 27 4.488 -1.620 -2.125 211 HD21 ASN 27 2HD2 ASN 27 3.900 -1.564 -5.831 212 HD22 ASN 27 1HD2 ASN 27 3.835 -2.817 -4.644 213 H ARG 28 H ARG 28 8.965 -0.408 -2.219 214 HA ARG 28 HA ARG 28 10.107 -2.091 -4.224 215 HB2 ARG 28 2HB ARG 28 10.484 -0.522 -5.958 216 HB3 ARG 28 3HB ARG 28 8.777 -0.394 -5.556 217 HG2 ARG 28 2HG ARG 28 9.203 1.612 -4.264 218 HG3 ARG 28 3HG ARG 28 10.933 1.467 -4.579 219 HD2 ARG 28 2HD ARG 28 10.582 2.769 -6.355 220 HD3 ARG 28 3HD ARG 28 9.808 1.369 -7.096 221 HE ARG 28 HE ARG 28 7.795 2.426 -6.880 222 HH11 ARG 28 1HH1 ARG 28 10.095 3.943 -4.753 223 HH12 ARG 28 2HH1 ARG 28 9.023 5.225 -4.295 224 HH21 ARG 28 2HH2 ARG 28 6.907 5.317 -5.167 225 HH22 ARG 28 1HH2 ARG 28 6.374 4.108 -6.286 226 H ILE 29 H ILE 29 12.281 -0.653 -4.993 227 HA ILE 29 HA ILE 29 13.569 -0.005 -2.423 228 HB ILE 29 HB ILE 29 14.924 -1.028 -4.919 229 HG12 ILE 29 2HG1 ILE 29 15.189 -2.993 -3.030 230 HG13 ILE 29 3HG1 ILE 29 13.557 -2.416 -2.714 231 HG21 ILE 29 1HG2 ILE 29 15.849 -0.110 -2.273 232 HG22 ILE 29 2HG2 ILE 29 16.608 -1.573 -2.897 233 HG23 ILE 29 3HG2 ILE 29 16.665 -0.081 -3.836 234 HD11 ILE 29 3HD1 ILE 29 12.749 -3.351 -4.568 235 HD12 ILE 29 1HD1 ILE 29 14.129 -2.846 -5.542 236 HD13 ILE 29 2HD1 ILE 29 14.234 -4.301 -4.552 237 H SER 30 H SER 30 13.678 2.143 -2.240 238 HA SER 30 HA SER 30 14.572 3.691 -4.583 239 HB2 SER 30 2HB SER 30 13.000 4.785 -2.246 240 HB3 SER 30 3HB SER 30 13.318 5.569 -3.794 241 HG SER 30 HG SER 30 12.137 3.593 -4.643 242 H VAL 31 H VAL 31 16.406 4.825 -4.417 243 HA VAL 31 HA VAL 31 18.002 4.566 -2.038 244 HB VAL 31 HB VAL 31 18.629 6.188 -4.505 245 HG11 VAL 31 1HG1 VAL 31 19.934 6.332 -2.220 246 HG12 VAL 31 2HG1 VAL 31 20.674 4.844 -2.813 247 HG13 VAL 31 3HG1 VAL 31 20.788 6.326 -3.763 248 HG21 VAL 31 3HG2 VAL 31 19.821 4.218 -5.327 249 HG22 VAL 31 1HG2 VAL 31 19.256 3.293 -3.936 250 HG23 VAL 31 2HG2 VAL 31 18.100 3.885 -5.129 251 H ILE 32 H ILE 32 17.121 5.764 -0.395 252 HA ILE 32 HA ILE 32 16.301 8.494 -0.775 253 HB ILE 32 HB ILE 32 16.700 6.926 1.775 254 HG12 ILE 32 2HG1 ILE 32 13.995 7.655 0.840 255 HG13 ILE 32 3HG1 ILE 32 14.832 6.461 -0.144 256 HG21 ILE 32 1HG2 ILE 32 16.844 9.327 2.157 257 HG22 ILE 32 2HG2 ILE 32 15.318 9.564 1.307 258 HG23 ILE 32 3HG2 ILE 32 15.350 8.675 2.830 259 HD11 ILE 32 3HD1 ILE 32 13.932 6.283 2.690 260 HD12 ILE 32 1HD1 ILE 32 13.694 5.150 1.360 261 HD13 ILE 32 2HD1 ILE 32 15.276 5.290 2.127 262 H VAL 33 H VAL 33 17.682 10.119 -0.956 263 HA VAL 33 HA VAL 33 20.144 10.064 0.663 264 HB VAL 33 HB VAL 33 19.929 11.277 -2.093 265 HG11 VAL 33 1HG1 VAL 33 22.447 11.229 -1.880 266 HG12 VAL 33 2HG1 VAL 33 21.607 12.387 -0.847 267 HG13 VAL 33 3HG1 VAL 33 22.207 10.872 -0.170 268 HG21 VAL 33 3HG2 VAL 33 19.766 8.956 -2.459 269 HG22 VAL 33 1HG2 VAL 33 21.467 9.348 -2.709 270 HG23 VAL 33 2HG2 VAL 33 20.949 8.593 -1.202 271 H PHE 34 H PHE 34 20.273 11.698 2.042 272 HA PHE 34 HA PHE 34 18.458 13.948 1.790 273 HB2 PHE 34 2HB PHE 34 20.450 13.842 3.992 274 HB3 PHE 34 3HB PHE 34 18.745 14.277 4.036 275 HD1 PHE 34 HD1 PHE 34 17.198 12.144 3.288 276 HD2 PHE 34 HD2 PHE 34 20.994 11.988 5.207 277 HE1 PHE 34 HE1 PHE 34 16.652 9.917 4.180 278 HE2 PHE 34 HE2 PHE 34 20.455 9.760 6.101 279 HZ PHE 34 HZ PHE 34 18.282 8.721 5.587 280 H THR 35 H THR 35 19.039 15.635 0.604 281 HA THR 35 HA THR 35 21.687 16.797 0.977 282 HB THR 35 HB THR 35 21.530 17.154 -1.687 283 HG1 THR 35 HG1 THR 35 21.041 14.793 -2.334 284 HG21 THR 35 3HG2 THR 35 23.028 15.046 -1.815 285 HG22 THR 35 1HG2 THR 35 22.807 14.978 -0.067 286 HG23 THR 35 2HG2 THR 35 23.549 16.396 -0.808 287 H HIS 36 H HIS 36 21.703 18.989 0.850 288 HA HIS 36 HA HIS 36 19.389 20.457 1.159 289 HB2 HIS 36 2HB HIS 36 22.061 21.381 0.082 290 HB3 HIS 36 3HB HIS 36 20.778 22.455 0.634 291 HD1 HIS 36 HD1 HIS 36 20.274 22.454 3.214 292 HD2 HIS 36 HD2 HIS 36 23.617 20.266 2.075 293 HE1 HIS 36 HE1 HIS 36 21.559 22.036 5.335 294 HA PRO 37 HA PRO 37 17.581 20.994 -2.804 295 HB2 PRO 37 2HB PRO 37 16.543 23.492 -2.572 296 HB3 PRO 37 3HB PRO 37 15.865 22.089 -1.739 297 HG2 PRO 37 2HG PRO 37 17.695 24.213 -0.690 298 HG3 PRO 37 3HG PRO 37 16.274 23.481 0.078 299 HD2 PRO 37 2HD PRO 37 18.806 22.744 0.695 300 HD3 PRO 37 3HD PRO 37 17.442 21.608 0.742 301 H ASP 38 H ASP 38 19.319 23.919 -1.725 302 HA ASP 38 HA ASP 38 20.265 24.276 -4.491 303 HB2 ASP 38 2HB ASP 38 18.988 26.185 -3.805 304 HB3 ASP 38 3HB ASP 38 19.849 26.281 -2.271 305 H SER 39 H SER 39 21.934 22.682 -4.046 306 HA SER 39 HA SER 39 24.102 23.705 -2.338 307 HB2 SER 39 2HB SER 39 22.940 21.157 -2.467 308 HB3 SER 39 3HB SER 39 24.503 20.990 -3.266 309 HG SER 39 HG SER 39 23.914 21.671 -0.616 310 H LYS 40 H LYS 40 25.156 25.057 -3.738 311 HA LYS 40 HA LYS 40 25.799 24.267 -6.425 312 HB2 LYS 40 2HB LYS 40 25.438 26.662 -5.436 313 HB3 LYS 40 3HB LYS 40 27.139 26.540 -5.003 314 HG2 LYS 40 2HG LYS 40 26.582 25.797 -7.769 315 HG3 LYS 40 3HG LYS 40 26.164 27.467 -7.379 316 HD2 LYS 40 2HD LYS 40 28.310 28.061 -7.359 317 HD3 LYS 40 3HD LYS 40 28.711 26.764 -6.230 318 HE2 LYS 40 2HE LYS 40 29.943 26.006 -7.959 319 HE3 LYS 40 3HE LYS 40 28.401 25.344 -8.498 320 HZ1 LYS 40 3HZ LYS 40 28.102 27.470 -9.761 321 HZ2 LYS 40 1HZ LYS 40 29.343 26.470 -10.327 322 HZ3 LYS 40 2HZ LYS 40 29.714 27.840 -9.407 323 H ARG 41 H ARG 41 27.703 24.849 -3.470 324 HA ARG 41 HA ARG 41 30.163 23.998 -4.574 325 HB2 ARG 41 2HB ARG 41 29.154 24.402 -1.775 326 HB3 ARG 41 3HB ARG 41 30.738 23.692 -2.057 327 HG2 ARG 41 2HG ARG 41 30.663 25.957 -3.678 328 HG3 ARG 41 3HG ARG 41 29.920 26.447 -2.154 329 HD2 ARG 41 2HD ARG 41 31.871 25.538 -0.948 330 HD3 ARG 41 3HD ARG 41 32.616 25.140 -2.495 331 HE ARG 41 HE ARG 41 31.888 27.901 -2.286 332 HH11 ARG 41 1HH1 ARG 41 34.323 25.543 -1.494 333 HH12 ARG 41 2HH1 ARG 41 35.606 26.704 -1.408 334 HH21 ARG 41 2HH2 ARG 41 35.175 28.921 -1.795 335 HH22 ARG 41 1HH2 ARG 41 33.568 29.440 -2.176 336 H SER 42 H SER 42 27.457 22.298 -3.267 337 HA SER 42 HA SER 42 28.989 19.782 -3.375 338 HB2 SER 42 2HB SER 42 27.538 20.818 -1.230 339 HB3 SER 42 3HB SER 42 26.477 19.591 -1.922 340 HG SER 42 HG SER 42 29.174 19.229 -1.109 341 H LYS 43 H LYS 43 26.966 17.967 -3.370 342 HA LYS 43 HA LYS 43 25.493 16.871 -4.712 343 HB2 LYS 43 2HB LYS 43 24.605 19.652 -4.755 344 HB3 LYS 43 3HB LYS 43 24.158 18.776 -6.213 345 HG2 LYS 43 2HG LYS 43 23.230 16.986 -4.665 346 HG3 LYS 43 3HG LYS 43 23.403 18.175 -3.373 347 HD2 LYS 43 2HD LYS 43 21.688 19.446 -4.133 348 HD3 LYS 43 3HD LYS 43 22.045 19.102 -5.827 349 HE2 LYS 43 2HE LYS 43 21.251 16.657 -4.871 350 HE3 LYS 43 3HE LYS 43 20.213 17.770 -3.982 351 HZ1 LYS 43 3HZ LYS 43 19.663 18.792 -6.178 352 HZ2 LYS 43 1HZ LYS 43 19.102 17.208 -5.977 353 HZ3 LYS 43 2HZ LYS 43 20.472 17.507 -6.923 354 H GLU 44 H GLU 44 28.175 18.056 -5.694 355 HA GLU 44 HA GLU 44 27.851 18.336 -8.524 356 HB2 GLU 44 2HB GLU 44 30.318 18.289 -8.582 357 HB3 GLU 44 3HB GLU 44 29.700 19.436 -7.403 358 HG2 GLU 44 2HG GLU 44 30.097 17.761 -5.628 359 HG3 GLU 44 3HG GLU 44 30.823 16.703 -6.836 360 H ILE 45 H ILE 45 28.892 15.741 -6.362 361 HA ILE 45 HA ILE 45 29.615 13.910 -8.397 362 HB ILE 45 HB ILE 45 29.455 12.181 -6.633 363 HG12 ILE 45 2HG1 ILE 45 29.095 13.312 -4.262 364 HG13 ILE 45 3HG1 ILE 45 28.110 14.430 -5.199 365 HG21 ILE 45 1HG2 ILE 45 30.886 14.081 -5.050 366 HG22 ILE 45 2HG2 ILE 45 31.513 12.801 -6.087 367 HG23 ILE 45 3HG2 ILE 45 31.187 14.398 -6.759 368 HD11 ILE 45 3HD1 ILE 45 27.168 12.186 -4.087 369 HD12 ILE 45 1HD1 ILE 45 26.486 12.914 -5.540 370 HD13 ILE 45 2HD1 ILE 45 27.618 11.568 -5.676 371 H LYS 46 H LYS 46 26.608 15.056 -7.387 372 HA LYS 46 HA LYS 46 24.877 12.935 -7.497 373 HB2 LYS 46 2HB LYS 46 24.564 15.749 -8.535 374 HB3 LYS 46 3HB LYS 46 23.238 14.594 -8.529 375 HG2 LYS 46 2HG LYS 46 24.770 15.408 -6.070 376 HG3 LYS 46 3HG LYS 46 23.258 16.155 -6.594 377 HD2 LYS 46 2HD LYS 46 22.012 14.399 -5.919 378 HD3 LYS 46 3HD LYS 46 23.218 13.216 -6.429 379 HE2 LYS 46 2HE LYS 46 24.181 14.784 -4.207 380 HE3 LYS 46 3HE LYS 46 22.635 14.029 -3.820 381 HZ1 LYS 46 3HZ LYS 46 23.557 12.012 -3.759 382 HZ2 LYS 46 1HZ LYS 46 25.040 12.819 -3.645 383 HZ3 LYS 46 2HZ LYS 46 24.488 12.271 -5.147 384 H GLU 47 H GLU 47 26.234 14.736 -10.236 385 HA GLU 47 HA GLU 47 24.854 13.595 -12.324 386 HB2 GLU 47 2HB GLU 47 26.498 15.428 -12.555 387 HB3 GLU 47 3HB GLU 47 27.799 14.276 -12.293 388 HG2 GLU 47 2HG GLU 47 27.032 13.051 -14.318 389 HG3 GLU 47 3HG GLU 47 25.882 14.355 -14.607 390 H LYS 48 H LYS 48 27.583 12.281 -10.526 391 HA LYS 48 HA LYS 48 28.218 10.109 -12.141 392 HB2 LYS 48 2HB LYS 48 28.262 10.144 -9.119 393 HB3 LYS 48 3HB LYS 48 29.216 9.110 -10.174 394 HG2 LYS 48 2HG LYS 48 29.855 11.651 -11.028 395 HG3 LYS 48 3HG LYS 48 29.713 11.824 -9.277 396 HD2 LYS 48 2HD LYS 48 31.147 9.618 -9.273 397 HD3 LYS 48 3HD LYS 48 31.612 10.177 -10.882 398 HE2 LYS 48 2HE LYS 48 32.329 12.314 -9.924 399 HE3 LYS 48 3HE LYS 48 31.865 11.752 -8.320 400 HZ1 LYS 48 3HZ LYS 48 34.138 11.366 -8.423 401 HZ2 LYS 48 1HZ LYS 48 34.089 10.821 -10.024 402 HZ3 LYS 48 2HZ LYS 48 33.482 9.849 -8.781 403 H LEU 49 H LEU 49 25.792 10.372 -9.569 404 HA LEU 49 HA LEU 49 24.925 7.655 -9.848 405 HB2 LEU 49 2HB LEU 49 24.760 9.054 -7.761 406 HB3 LEU 49 3HB LEU 49 23.443 9.927 -8.542 407 HG LEU 49 HG LEU 49 22.230 7.725 -8.708 408 HD11 LEU 49 1HD1 LEU 49 24.230 6.301 -8.429 409 HD12 LEU 49 2HD1 LEU 49 22.938 5.907 -7.295 410 HD13 LEU 49 3HD1 LEU 49 24.338 6.829 -6.749 411 HD21 LEU 49 3HD2 LEU 49 21.956 7.694 -6.064 412 HD22 LEU 49 1HD2 LEU 49 21.308 8.994 -7.064 413 HD23 LEU 49 2HD2 LEU 49 22.840 9.213 -6.217 414 H LYS 50 H LYS 50 23.935 10.765 -11.122 415 HA LYS 50 HA LYS 50 21.418 10.022 -12.132 416 HB2 LYS 50 2HB LYS 50 22.135 12.358 -11.923 417 HB3 LYS 50 3HB LYS 50 23.354 12.103 -13.165 418 HG2 LYS 50 2HG LYS 50 21.105 11.305 -14.460 419 HG3 LYS 50 3HG LYS 50 20.476 12.581 -13.414 420 HD2 LYS 50 2HD LYS 50 22.800 13.677 -14.398 421 HD3 LYS 50 3HD LYS 50 22.182 12.761 -15.775 422 HE2 LYS 50 2HE LYS 50 20.236 14.005 -15.894 423 HE3 LYS 50 3HE LYS 50 20.339 14.518 -14.211 424 HZ1 LYS 50 3HZ LYS 50 20.850 16.266 -15.910 425 HZ2 LYS 50 1HZ LYS 50 22.260 15.409 -16.284 426 HZ3 LYS 50 2HZ LYS 50 22.043 16.044 -14.732 427 H LYS 51 H LYS 51 24.658 9.875 -13.538 428 HA LYS 51 HA LYS 51 23.814 9.014 -16.111 429 HB2 LYS 51 2HB LYS 51 26.148 9.942 -15.140 430 HB3 LYS 51 3HB LYS 51 26.500 8.219 -15.137 431 HG2 LYS 51 2HG LYS 51 25.933 8.111 -17.521 432 HG3 LYS 51 3HG LYS 51 25.625 9.849 -17.514 433 HD2 LYS 51 2HD LYS 51 27.778 10.052 -18.095 434 HD3 LYS 51 3HD LYS 51 28.126 9.688 -16.404 435 HE2 LYS 51 2HE LYS 51 28.003 7.214 -17.182 436 HE3 LYS 51 3HE LYS 51 28.239 7.889 -18.793 437 HZ1 LYS 51 3HZ LYS 51 30.046 8.454 -16.510 438 HZ2 LYS 51 1HZ LYS 51 30.305 8.815 -18.143 439 HZ3 LYS 51 2HZ LYS 51 30.314 7.206 -17.621 440 H LEU 52 H LEU 52 24.621 7.362 -13.130 441 HA LEU 52 HA LEU 52 24.992 4.772 -14.058 442 HB2 LEU 52 2HB LEU 52 25.430 5.353 -11.771 443 HB3 LEU 52 3HB LEU 52 23.735 5.756 -11.504 444 HG LEU 52 HG LEU 52 24.285 2.979 -12.342 445 HD11 LEU 52 1HD1 LEU 52 25.148 4.064 -9.669 446 HD12 LEU 52 2HD1 LEU 52 26.138 3.220 -10.860 447 HD13 LEU 52 3HD1 LEU 52 24.868 2.353 -9.996 448 HD21 LEU 52 3HD2 LEU 52 22.576 2.540 -10.626 449 HD22 LEU 52 1HD2 LEU 52 22.037 3.719 -11.823 450 HD23 LEU 52 2HD2 LEU 52 22.556 4.258 -10.226 451 H ALA 53 H ALA 53 22.111 6.662 -13.870 452 HA ALA 53 HA ALA 53 20.107 4.776 -13.704 453 HB1 ALA 53 1HB ALA 53 19.726 6.929 -15.701 454 HB2 ALA 53 2HB ALA 53 18.690 6.420 -14.366 455 HB3 ALA 53 3HB ALA 53 20.109 7.419 -14.050 456 H GLU 54 H GLU 54 22.272 5.439 -16.347 457 HA GLU 54 HA GLU 54 20.743 4.008 -18.313 458 HB2 GLU 54 2HB GLU 54 22.315 5.851 -18.886 459 HB3 GLU 54 3HB GLU 54 23.653 4.823 -18.391 460 HG2 GLU 54 2HG GLU 54 23.135 4.977 -20.877 461 HG3 GLU 54 3HG GLU 54 23.366 3.371 -20.187 462 H GLU 55 H GLU 55 23.421 3.295 -16.151 463 HA GLU 55 HA GLU 55 24.141 0.803 -17.264 464 HB2 GLU 55 2HB GLU 55 25.778 1.540 -15.845 465 HB3 GLU 55 3HB GLU 55 24.631 2.217 -14.699 466 HG2 GLU 55 2HG GLU 55 25.871 0.314 -13.781 467 HG3 GLU 55 3HG GLU 55 24.133 0.027 -13.831 468 H PHE 56 H PHE 56 21.852 1.712 -14.728 469 HA PHE 56 HA PHE 56 20.368 -0.724 -15.155 470 HB2 PHE 56 2HB PHE 56 22.233 -1.232 -13.454 471 HB3 PHE 56 3HB PHE 56 21.322 -0.213 -12.346 472 HD1 PHE 56 HD1 PHE 56 20.372 -1.583 -10.760 473 HD2 PHE 56 HD2 PHE 56 20.207 -2.730 -14.855 474 HE1 PHE 56 HE1 PHE 56 18.954 -3.503 -10.162 475 HE2 PHE 56 HE2 PHE 56 18.788 -4.651 -14.264 476 HZ PHE 56 HZ PHE 56 18.158 -5.039 -11.915 477 HA PRO 57 HA PRO 57 17.816 2.972 -14.095 478 HB2 PRO 57 2HB PRO 57 15.951 2.501 -16.011 479 HB3 PRO 57 3HB PRO 57 17.447 3.389 -16.324 480 HG2 PRO 57 2HG PRO 57 16.793 0.523 -16.887 481 HG3 PRO 57 3HG PRO 57 17.640 1.699 -17.909 482 HD2 PRO 57 2HD PRO 57 18.946 -0.179 -16.460 483 HD3 PRO 57 3HD PRO 57 19.636 1.423 -16.790 484 H ASP 58 H ASP 58 17.451 -0.390 -14.047 485 HA ASP 58 HA ASP 58 14.742 -0.730 -13.452 486 HB2 ASP 58 2HB ASP 58 15.697 -2.776 -13.745 487 HB3 ASP 58 3HB ASP 58 17.225 -2.283 -13.020 488 H VAL 59 H VAL 59 17.291 0.633 -11.589 489 HA VAL 59 HA VAL 59 15.862 0.346 -9.069 490 HB VAL 59 HB VAL 59 18.444 1.815 -9.617 491 HG11 VAL 59 1HG1 VAL 59 17.379 2.559 -7.582 492 HG12 VAL 59 2HG1 VAL 59 17.155 0.891 -7.052 493 HG13 VAL 59 3HG1 VAL 59 18.780 1.565 -7.182 494 HG21 VAL 59 3HG2 VAL 59 18.071 -0.970 -8.522 495 HG22 VAL 59 1HG2 VAL 59 18.556 -0.597 -10.176 496 HG23 VAL 59 2HG2 VAL 59 19.600 -0.146 -8.828 497 H ASP 60 H ASP 60 15.067 2.070 -7.854 498 HA ASP 60 HA ASP 60 14.387 4.440 -9.440 499 HB2 ASP 60 2HB ASP 60 12.417 3.492 -8.592 500 HB3 ASP 60 3HB ASP 60 13.151 3.134 -7.032 501 H ILE 61 H ILE 61 14.641 6.540 -8.614 502 HA ILE 61 HA ILE 61 16.687 6.747 -6.506 503 HB ILE 61 HB ILE 61 16.070 8.675 -8.748 504 HG12 ILE 61 2HG1 ILE 61 18.762 7.569 -8.590 505 HG13 ILE 61 3HG1 ILE 61 17.542 6.319 -8.806 506 HG21 ILE 61 1HG2 ILE 61 16.840 10.090 -7.119 507 HG22 ILE 61 2HG2 ILE 61 17.825 8.846 -6.351 508 HG23 ILE 61 3HG2 ILE 61 18.364 9.594 -7.854 509 HD11 ILE 61 3HD1 ILE 61 18.692 7.903 -10.771 510 HD12 ILE 61 1HD1 ILE 61 17.299 6.835 -10.943 511 HD13 ILE 61 2HD1 ILE 61 17.061 8.543 -10.569 512 H TYR 62 H TYR 62 16.405 8.118 -4.800 513 HA TYR 62 HA TYR 62 13.923 9.689 -4.703 514 HB2 TYR 62 2HB TYR 62 13.637 7.516 -3.495 515 HB3 TYR 62 3HB TYR 62 14.943 7.993 -2.416 516 HD1 TYR 62 HD1 TYR 62 14.518 9.354 -0.548 517 HD2 TYR 62 HD2 TYR 62 11.549 8.960 -3.570 518 HE1 TYR 62 HE1 TYR 62 12.905 10.524 0.894 519 HE2 TYR 62 HE2 TYR 62 9.928 10.130 -2.137 520 HH TYR 62 HH TYR 62 9.546 10.654 0.163 521 H LEU 63 H LEU 63 14.445 11.740 -4.395 522 HA LEU 63 HA LEU 63 16.910 12.388 -2.940 523 HB2 LEU 63 2HB LEU 63 15.247 13.864 -4.948 524 HB3 LEU 63 3HB LEU 63 16.388 14.721 -3.913 525 HG LEU 63 HG LEU 63 17.311 12.415 -5.585 526 HD11 LEU 63 1HD1 LEU 63 16.776 15.226 -6.502 527 HD12 LEU 63 2HD1 LEU 63 16.243 13.712 -7.234 528 HD13 LEU 63 3HD1 LEU 63 17.945 14.171 -7.298 529 HD21 LEU 63 3HD2 LEU 63 18.495 14.287 -3.812 530 HD22 LEU 63 1HD2 LEU 63 19.104 14.610 -5.436 531 HD23 LEU 63 2HD2 LEU 63 19.273 13.000 -4.735 532 H VAL 64 H VAL 64 16.924 13.954 -1.293 533 HA VAL 64 HA VAL 64 14.327 14.826 -0.257 534 HB VAL 64 HB VAL 64 16.405 13.532 1.511 535 HG11 VAL 64 1HG1 VAL 64 13.586 14.458 2.056 536 HG12 VAL 64 2HG1 VAL 64 14.625 13.611 3.203 537 HG13 VAL 64 3HG1 VAL 64 15.067 15.221 2.634 538 HG21 VAL 64 3HG2 VAL 64 13.825 12.419 0.417 539 HG22 VAL 64 1HG2 VAL 64 15.457 11.818 0.124 540 HG23 VAL 64 2HG2 VAL 64 14.745 11.689 1.732 541 H ASP 65 H ASP 65 14.351 16.796 0.720 542 HA ASP 65 HA ASP 65 16.957 18.167 0.835 543 HB2 ASP 65 2HB ASP 65 15.280 20.237 0.779 544 HB3 ASP 65 3HB ASP 65 15.835 19.448 -0.695 545 H THR 66 H THR 66 17.412 19.531 2.583 546 HA THR 66 HA THR 66 16.359 18.662 5.084 547 HB THR 66 HB THR 66 17.742 20.805 5.846 548 HG1 THR 66 HG1 THR 66 18.790 21.705 4.253 549 HG21 THR 66 3HG2 THR 66 19.291 18.487 4.735 550 HG22 THR 66 1HG2 THR 66 18.208 18.280 6.110 551 HG23 THR 66 2HG2 THR 66 19.568 19.397 6.220 552 H SER 67 H SER 67 15.553 21.189 2.891 553 HA SER 67 HA SER 67 14.354 22.993 4.717 554 HB2 SER 67 2HB SER 67 14.809 22.889 1.932 555 HB3 SER 67 3HB SER 67 13.069 23.079 2.142 556 HG SER 67 HG SER 67 14.710 24.997 2.193 557 H THR 68 H THR 68 13.437 19.924 3.662 558 HA THR 68 HA THR 68 10.609 20.418 4.316 559 HB THR 68 HB THR 68 10.335 18.056 3.288 560 HG1 THR 68 HG1 THR 68 12.695 17.762 3.192 561 HG21 THR 68 3HG2 THR 68 9.322 19.584 1.955 562 HG22 THR 68 1HG2 THR 68 10.699 19.255 0.904 563 HG23 THR 68 2HG2 THR 68 10.713 20.668 1.960 564 H ASN 69 H ASN 69 13.469 18.676 5.227 565 HA ASN 69 HA ASN 69 12.010 17.567 7.526 566 HB2 ASN 69 2HB ASN 69 13.865 15.666 7.250 567 HB3 ASN 69 3HB ASN 69 12.304 15.572 6.442 568 HD21 ASN 69 2HD2 ASN 69 15.726 15.879 4.341 569 HD22 ASN 69 1HD2 ASN 69 15.689 15.866 6.069 570 HA PRO 70 HA PRO 70 15.808 20.032 8.719 571 HB2 PRO 70 2HB PRO 70 14.515 21.705 10.422 572 HB3 PRO 70 3HB PRO 70 14.687 22.038 8.694 573 HG2 PRO 70 2HG PRO 70 12.351 20.900 10.181 574 HG3 PRO 70 3HG PRO 70 12.372 22.120 8.894 575 HD2 PRO 70 2HD PRO 70 11.751 19.525 8.431 576 HD3 PRO 70 3HD PRO 70 12.570 20.541 7.227 577 H GLU 71 H GLU 71 13.047 19.052 10.745 578 HA GLU 71 HA GLU 71 14.769 18.578 13.021 579 HB2 GLU 71 2HB GLU 71 11.835 18.514 12.511 580 HB3 GLU 71 3HB GLU 71 12.454 17.571 13.858 581 HG2 GLU 71 2HG GLU 71 13.158 19.435 15.018 582 HG3 GLU 71 3HG GLU 71 13.235 20.435 13.568 583 H ALA 72 H ALA 72 13.187 16.730 10.516 584 HA ALA 72 HA ALA 72 13.197 14.179 11.549 585 HB1 ALA 72 1HB ALA 72 12.605 13.600 9.481 586 HB2 ALA 72 2HB ALA 72 12.770 15.306 9.062 587 HB3 ALA 72 3HB ALA 72 14.117 14.198 8.798 588 H ARG 73 H ARG 73 15.898 16.093 10.429 589 HA ARG 73 HA ARG 73 17.804 14.053 10.143 590 HB2 ARG 73 2HB ARG 73 17.761 16.879 10.022 591 HB3 ARG 73 3HB ARG 73 19.029 16.440 11.159 592 HG2 ARG 73 2HG ARG 73 19.268 14.731 8.918 593 HG3 ARG 73 3HG ARG 73 19.081 16.381 8.322 594 HD2 ARG 73 2HD ARG 73 21.138 15.350 10.265 595 HD3 ARG 73 3HD ARG 73 21.414 15.964 8.636 596 HE ARG 73 HE ARG 73 21.030 17.511 11.037 597 HH11 ARG 73 1HH1 ARG 73 20.908 17.502 7.558 598 HH12 ARG 73 2HH1 ARG 73 21.100 19.219 7.417 599 HH21 ARG 73 2HH2 ARG 73 21.314 20.508 9.298 600 HH22 ARG 73 1HH2 ARG 73 21.283 19.772 10.865 601 H GLU 74 H GLU 74 17.093 16.153 12.931 602 HA GLU 74 HA GLU 74 18.977 15.021 14.675 603 HB2 GLU 74 2HB GLU 74 16.525 16.681 14.996 604 HB3 GLU 74 3HB GLU 74 17.169 15.888 16.426 605 HG2 GLU 74 2HG GLU 74 18.336 17.803 16.590 606 HG3 GLU 74 3HG GLU 74 19.426 16.960 15.491 607 H TRP 75 H TRP 75 15.875 13.926 13.626 608 HA TRP 75 HA TRP 75 15.024 12.312 15.689 609 HB2 TRP 75 2HB TRP 75 14.026 12.768 13.301 610 HB3 TRP 75 3HB TRP 75 14.874 11.283 12.880 611 HD1 TRP 75 HD1 TRP 75 14.288 9.306 15.065 612 HE1 TRP 75 HE1 TRP 75 11.904 8.569 15.697 613 HE3 TRP 75 HE3 TRP 75 11.683 13.284 13.186 614 HZ2 TRP 75 HZ2 TRP 75 9.268 9.545 15.434 615 HZ3 TRP 75 HZ3 TRP 75 9.234 13.304 13.417 616 HH2 TRP 75 HH2 TRP 75 8.053 11.472 14.517 617 H TYR 76 H TYR 76 17.498 11.648 13.260 618 HA TYR 76 HA TYR 76 18.297 9.293 14.838 619 HB2 TYR 76 2HB TYR 76 17.214 8.699 12.646 620 HB3 TYR 76 3HB TYR 76 18.539 9.525 11.834 621 HD1 TYR 76 HD1 TYR 76 20.246 8.192 11.055 622 HD2 TYR 76 HD2 TYR 76 18.089 6.937 14.501 623 HE1 TYR 76 HE1 TYR 76 21.583 6.130 11.133 624 HE2 TYR 76 HE2 TYR 76 19.422 4.872 14.590 625 HH TYR 76 HH TYR 76 21.718 4.126 13.786 626 H ASN 77 H ASN 77 19.134 12.302 14.209 627 HA ASN 77 HA ASN 77 21.066 13.507 14.079 628 HB2 ASN 77 2HB ASN 77 21.508 12.678 16.251 629 HB3 ASN 77 3HB ASN 77 21.912 11.075 15.644 630 HD21 ASN 77 2HD2 ASN 77 24.647 14.105 15.385 631 HD22 ASN 77 1HD2 ASN 77 22.956 14.451 15.467 632 H ILE 78 H ILE 78 21.315 13.478 11.827 633 HA ILE 78 HA ILE 78 23.022 11.401 10.678 634 HB ILE 78 HB ILE 78 21.248 13.508 9.500 635 HG12 ILE 78 2HG1 ILE 78 20.375 11.241 10.027 636 HG13 ILE 78 3HG1 ILE 78 20.294 11.622 8.310 637 HG21 ILE 78 1HG2 ILE 78 23.078 13.896 8.138 638 HG22 ILE 78 2HG2 ILE 78 23.620 12.221 8.216 639 HG23 ILE 78 3HG2 ILE 78 22.207 12.645 7.251 640 HD11 ILE 78 3HD1 ILE 78 21.423 9.785 7.847 641 HD12 ILE 78 1HD1 ILE 78 22.780 10.355 8.819 642 HD13 ILE 78 2HD1 ILE 78 21.498 9.401 9.567 643 H THR 79 H THR 79 25.139 11.708 10.677 644 HA THR 79 HA THR 79 26.244 14.384 10.936 645 HB THR 79 HB THR 79 28.455 13.102 10.994 646 HG1 THR 79 HG1 THR 79 27.921 10.803 11.691 647 HG21 THR 79 3HG2 THR 79 27.644 13.884 13.053 648 HG22 THR 79 1HG2 THR 79 27.916 12.162 13.319 649 HG23 THR 79 2HG2 THR 79 26.282 12.764 13.042 650 H SER 80 H SER 80 26.150 11.750 8.600 651 HA SER 80 HA SER 80 27.686 13.378 6.700 652 HB2 SER 80 2HB SER 80 27.341 11.016 5.414 653 HB3 SER 80 3HB SER 80 28.696 11.352 6.492 654 HG SER 80 HG SER 80 27.158 9.385 6.777 655 H VAL 81 H VAL 81 26.085 14.824 6.064 656 HA VAL 81 HA VAL 81 23.482 14.515 5.472 657 HB VAL 81 HB VAL 81 24.677 15.896 3.237 658 HG11 VAL 81 1HG1 VAL 81 23.318 17.085 5.641 659 HG12 VAL 81 2HG1 VAL 81 23.345 17.692 3.984 660 HG13 VAL 81 3HG1 VAL 81 22.434 16.233 4.375 661 HG21 VAL 81 3HG2 VAL 81 25.936 17.582 4.472 662 HG22 VAL 81 1HG2 VAL 81 25.694 16.679 5.967 663 HG23 VAL 81 2HG2 VAL 81 26.663 15.987 4.667 664 HA PRO 82 HA PRO 82 24.356 12.749 1.059 665 HB2 PRO 82 2HB PRO 82 26.904 11.996 0.502 666 HB3 PRO 82 3HB PRO 82 26.297 13.628 0.200 667 HG2 PRO 82 2HG PRO 82 27.929 12.609 2.493 668 HG3 PRO 82 3HG PRO 82 28.105 14.117 1.578 669 HD2 PRO 82 2HD PRO 82 26.908 14.017 4.004 670 HD3 PRO 82 3HD PRO 82 26.420 15.170 2.746 671 H THR 83 H THR 83 23.247 11.173 2.544 672 HA THR 83 HA THR 83 24.869 8.748 2.953 673 HB THR 83 HB THR 83 22.482 8.308 4.279 674 HG1 THR 83 HG1 THR 83 23.329 10.978 4.810 675 HG21 THR 83 3HG2 THR 83 24.900 7.883 4.957 676 HG22 THR 83 1HG2 THR 83 23.787 8.341 6.246 677 HG23 THR 83 2HG2 THR 83 24.904 9.533 5.579 678 H PHE 84 H PHE 84 23.836 6.685 2.530 679 HA PHE 84 HA PHE 84 21.741 6.851 0.465 680 HB2 PHE 84 2HB PHE 84 24.376 5.511 0.425 681 HB3 PHE 84 3HB PHE 84 23.033 4.567 -0.210 682 HD1 PHE 84 HD1 PHE 84 23.069 4.580 -2.501 683 HD2 PHE 84 HD2 PHE 84 23.933 8.183 -0.405 684 HE1 PHE 84 HE1 PHE 84 23.236 5.782 -4.642 685 HE2 PHE 84 HE2 PHE 84 24.101 9.390 -2.542 686 HZ PHE 84 HZ PHE 84 23.752 8.190 -4.664 687 H VAL 85 H VAL 85 19.933 5.971 1.200 688 HA VAL 85 HA VAL 85 20.123 3.649 3.006 689 HB VAL 85 HB VAL 85 17.752 5.496 2.760 690 HG11 VAL 85 1HG1 VAL 85 18.420 3.827 5.142 691 HG12 VAL 85 2HG1 VAL 85 16.850 4.387 4.564 692 HG13 VAL 85 3HG1 VAL 85 17.678 3.070 3.733 693 HG21 VAL 85 3HG2 VAL 85 19.977 5.596 4.796 694 HG22 VAL 85 1HG2 VAL 85 19.698 6.775 3.515 695 HG23 VAL 85 2HG2 VAL 85 18.514 6.581 4.809 696 H ILE 86 H ILE 86 19.633 1.791 2.061 697 HA ILE 86 HA ILE 86 17.859 1.791 -0.274 698 HB ILE 86 HB ILE 86 19.457 -0.561 0.712 699 HG12 ILE 86 2HG1 ILE 86 20.362 1.543 -1.266 700 HG13 ILE 86 3HG1 ILE 86 20.963 1.388 0.381 701 HG21 ILE 86 1HG2 ILE 86 18.190 0.200 -1.907 702 HG22 ILE 86 2HG2 ILE 86 19.362 -1.108 -1.755 703 HG23 ILE 86 3HG2 ILE 86 17.831 -1.191 -0.883 704 HD11 ILE 86 3HD1 ILE 86 22.585 0.199 -0.598 705 HD12 ILE 86 1HD1 ILE 86 21.402 -1.108 -0.546 706 HD13 ILE 86 2HD1 ILE 86 21.608 -0.162 -2.021 707 H GLU 87 H GLU 87 15.815 1.189 -0.055 708 HA GLU 87 HA GLU 87 15.072 -0.442 2.281 709 HB2 GLU 87 2HB GLU 87 12.783 0.502 1.950 710 HB3 GLU 87 3HB GLU 87 13.999 1.702 2.365 711 HG2 GLU 87 2HG GLU 87 13.859 2.743 0.367 712 HG3 GLU 87 3HG GLU 87 13.525 1.253 -0.512 713 H LYS 88 H LYS 88 12.882 -1.633 1.812 714 HA LYS 88 HA LYS 88 12.428 -2.567 -0.835 715 HB2 LYS 88 2HB LYS 88 14.615 -3.743 0.234 716 HB3 LYS 88 3HB LYS 88 13.366 -4.828 0.831 717 HG2 LYS 88 2HG LYS 88 12.798 -4.387 -1.885 718 HG3 LYS 88 3HG LYS 88 14.536 -4.673 -1.771 719 HD2 LYS 88 2HD LYS 88 13.782 -6.829 -1.947 720 HD3 LYS 88 3HD LYS 88 13.764 -6.639 -0.192 721 HE2 LYS 88 2HE LYS 88 11.289 -5.684 -1.088 722 HE3 LYS 88 3HE LYS 88 11.587 -7.161 -2.003 723 HZ1 LYS 88 3HZ LYS 88 10.666 -8.062 -0.160 724 HZ2 LYS 88 1HZ LYS 88 11.153 -6.803 0.859 725 HZ3 LYS 88 2HZ LYS 88 12.260 -7.996 0.401 726 H GLY 89 H GLY 89 10.268 -2.430 -0.597 727 HA2 GLY 89 2HA GLY 89 8.221 -3.476 -0.091 728 HA3 GLY 89 3HA GLY 89 9.008 -4.324 1.232 729 H GLY 90 H GLY 90 10.184 -2.069 2.495 730 HA2 GLY 90 2HA GLY 90 8.953 0.165 3.110 731 HA3 GLY 90 3HA GLY 90 7.769 -0.971 3.737 732 H GLU 91 H GLU 91 11.330 -0.789 3.832 733 HA GLU 91 HA GLU 91 11.554 -0.133 6.535 734 HB2 GLU 91 2HB GLU 91 12.334 -2.457 7.327 735 HB3 GLU 91 3HB GLU 91 10.605 -2.152 7.230 736 HG2 GLU 91 2HG GLU 91 10.296 -3.627 5.552 737 HG3 GLU 91 3HG GLU 91 11.865 -3.293 4.821 738 HA PRO 92 HA PRO 92 15.765 0.244 5.365 739 HB2 PRO 92 2HB PRO 92 17.030 -0.052 7.749 740 HB3 PRO 92 3HB PRO 92 16.094 1.388 7.330 741 HG2 PRO 92 2HG PRO 92 15.297 -0.972 8.990 742 HG3 PRO 92 3HG PRO 92 15.007 0.752 9.285 743 HD2 PRO 92 2HD PRO 92 13.109 -0.892 8.272 744 HD3 PRO 92 3HD PRO 92 13.213 0.827 7.839 745 H LEU 93 H LEU 93 17.047 -1.143 4.333 746 HA LEU 93 HA LEU 93 17.236 -3.901 5.317 747 HB2 LEU 93 2HB LEU 93 16.445 -3.407 2.974 748 HB3 LEU 93 3HB LEU 93 18.081 -2.851 2.625 749 HG LEU 93 HG LEU 93 18.954 -5.078 3.030 750 HD11 LEU 93 1HD1 LEU 93 16.416 -5.447 4.325 751 HD12 LEU 93 2HD1 LEU 93 17.864 -6.451 4.387 752 HD13 LEU 93 3HD1 LEU 93 16.676 -6.697 3.108 753 HD21 LEU 93 3HD2 LEU 93 17.629 -4.297 0.840 754 HD22 LEU 93 1HD2 LEU 93 16.652 -5.697 1.281 755 HD23 LEU 93 2HD2 LEU 93 18.382 -5.885 0.993 756 H GLY 94 H GLY 94 19.206 -1.170 4.229 757 HA2 GLY 94 2HA GLY 94 21.397 -2.093 5.885 758 HA3 GLY 94 3HA GLY 94 21.726 -2.116 4.159 759 H GLU 95 H GLU 95 23.389 -0.570 4.465 760 HA GLU 95 HA GLU 95 22.515 2.119 4.142 761 HB2 GLU 95 2HB GLU 95 23.209 3.133 6.117 762 HB3 GLU 95 3HB GLU 95 22.441 1.659 6.690 763 HG2 GLU 95 2HG GLU 95 24.346 1.633 7.933 764 HG3 GLU 95 3HG GLU 95 24.878 0.705 6.532 765 H VAL 96 H VAL 96 24.147 3.475 3.376 766 HA VAL 96 HA VAL 96 26.858 2.393 3.200 767 HB VAL 96 HB VAL 96 25.269 3.262 0.782 768 HG11 VAL 96 1HG1 VAL 96 27.301 3.938 0.079 769 HG12 VAL 96 2HG1 VAL 96 28.156 2.967 1.279 770 HG13 VAL 96 3HG1 VAL 96 27.557 2.216 -0.200 771 HG21 VAL 96 3HG2 VAL 96 26.471 0.572 1.425 772 HG22 VAL 96 1HG2 VAL 96 24.768 0.984 1.626 773 HG23 VAL 96 2HG2 VAL 96 25.493 0.989 0.019 774 H LYS 97 H LYS 97 28.461 3.937 2.970 775 HA LYS 97 HA LYS 97 27.755 6.716 2.552 776 HB2 LYS 97 2HB LYS 97 28.535 7.544 4.638 777 HB3 LYS 97 3HB LYS 97 27.409 6.245 5.011 778 HG2 LYS 97 2HG LYS 97 28.979 5.379 6.310 779 HG3 LYS 97 3HG LYS 97 29.890 5.001 4.847 780 HD2 LYS 97 2HD LYS 97 30.119 7.770 5.850 781 HD3 LYS 97 3HD LYS 97 30.856 6.515 6.850 782 HE2 LYS 97 2HE LYS 97 31.824 5.716 4.534 783 HE3 LYS 97 3HE LYS 97 31.537 7.397 4.086 784 HZ1 LYS 97 3HZ LYS 97 32.830 7.985 6.149 785 HZ2 LYS 97 1HZ LYS 97 33.726 7.298 4.889 786 HZ3 LYS 97 2HZ LYS 97 33.296 6.361 6.230 787 H GLY 98 H GLY 98 29.486 7.988 1.910 788 HA2 GLY 98 2HA GLY 98 31.897 8.350 1.806 789 HA3 GLY 98 3HA GLY 98 32.088 6.606 1.703 790 HA PRO 99 HA PRO 99 31.742 8.771 -2.554 791 HB2 PRO 99 2HB PRO 99 34.379 8.983 -3.167 792 HB3 PRO 99 3HB PRO 99 33.475 10.267 -2.356 793 HG2 PRO 99 2HG PRO 99 35.297 8.203 -1.182 794 HG3 PRO 99 3HG PRO 99 35.178 9.933 -0.809 795 HD2 PRO 99 2HD PRO 99 34.053 8.025 0.749 796 HD3 PRO 99 3HD PRO 99 33.343 9.641 0.554 797 H ASP 100 H ASP 100 30.939 6.759 -3.218 798 HA ASP 100 HA ASP 100 32.862 5.107 -4.606 799 HB2 ASP 100 2HB ASP 100 32.472 4.280 -2.119 800 HB3 ASP 100 3HB ASP 100 31.014 3.585 -2.821 801 H ILE 101 H ILE 101 31.130 6.644 -5.854 802 HA ILE 101 HA ILE 101 28.542 5.626 -6.281 803 HB ILE 101 HB ILE 101 30.325 7.400 -7.924 804 HG12 ILE 101 2HG1 ILE 101 29.267 8.306 -5.876 805 HG13 ILE 101 3HG1 ILE 101 28.690 9.105 -7.335 806 HG21 ILE 101 1HG2 ILE 101 28.023 7.762 -9.182 807 HG22 ILE 101 2HG2 ILE 101 29.182 6.537 -9.696 808 HG23 ILE 101 3HG2 ILE 101 27.789 6.077 -8.718 809 HD11 ILE 101 3HD1 ILE 101 27.253 7.036 -5.697 810 HD12 ILE 101 1HD1 ILE 101 26.832 8.736 -5.897 811 HD13 ILE 101 2HD1 ILE 101 26.689 7.626 -7.260 812 H ASP 102 H ASP 102 31.647 4.818 -7.668 813 HA ASP 102 HA ASP 102 30.662 3.332 -9.880 814 HB2 ASP 102 2HB ASP 102 33.299 3.600 -8.500 815 HB3 ASP 102 3HB ASP 102 33.062 2.253 -9.609 816 H LYS 103 H LYS 103 32.121 2.236 -6.812 817 HA LYS 103 HA LYS 103 31.534 -0.481 -7.156 818 HB2 LYS 103 2HB LYS 103 33.069 0.735 -5.430 819 HB3 LYS 103 3HB LYS 103 31.618 0.783 -4.437 820 HG2 LYS 103 2HG LYS 103 31.674 -1.829 -5.219 821 HG3 LYS 103 3HG LYS 103 33.392 -1.449 -5.071 822 HD2 LYS 103 2HD LYS 103 33.265 -1.121 -2.820 823 HD3 LYS 103 3HD LYS 103 31.603 -0.533 -2.890 824 HE2 LYS 103 2HE LYS 103 31.069 -2.537 -2.042 825 HE3 LYS 103 3HE LYS 103 31.314 -3.126 -3.685 826 HZ1 LYS 103 3HZ LYS 103 32.633 -3.985 -1.461 827 HZ2 LYS 103 1HZ LYS 103 33.757 -2.964 -2.208 828 HZ3 LYS 103 2HZ LYS 103 33.100 -4.268 -3.063 829 H LEU 104 H LEU 104 29.501 2.148 -6.388 830 HA LEU 104 HA LEU 104 27.553 1.126 -4.755 831 HB2 LEU 104 2HB LEU 104 27.649 3.425 -5.719 832 HB3 LEU 104 3HB LEU 104 27.024 2.764 -7.228 833 HG LEU 104 HG LEU 104 25.157 1.930 -5.399 834 HD11 LEU 104 1HD1 LEU 104 24.579 4.028 -4.163 835 HD12 LEU 104 2HD1 LEU 104 26.175 4.645 -4.591 836 HD13 LEU 104 3HD1 LEU 104 26.028 3.202 -3.587 837 HD21 LEU 104 3HD2 LEU 104 24.230 4.376 -6.352 838 HD22 LEU 104 1HD2 LEU 104 24.023 2.794 -7.104 839 HD23 LEU 104 2HD2 LEU 104 25.380 3.820 -7.569 840 H ARG 105 H ARG 105 28.141 0.400 -8.131 841 HA ARG 105 HA ARG 105 25.753 -0.826 -8.829 842 HB2 ARG 105 2HB ARG 105 28.527 -1.681 -9.674 843 HB3 ARG 105 3HB ARG 105 27.026 -2.031 -10.521 844 HG2 ARG 105 2HG ARG 105 26.724 0.261 -11.092 845 HG3 ARG 105 3HG ARG 105 28.056 0.753 -10.045 846 HD2 ARG 105 2HD ARG 105 28.546 -1.189 -12.261 847 HD3 ARG 105 3HD ARG 105 28.421 0.533 -12.620 848 HE ARG 105 HE ARG 105 30.207 0.324 -10.533 849 HH11 ARG 105 1HH1 ARG 105 29.975 -0.857 -13.800 850 HH12 ARG 105 2HH1 ARG 105 31.690 -0.899 -14.045 851 HH21 ARG 105 2HH2 ARG 105 33.106 -0.257 -12.363 852 HH22 ARG 105 1HH2 ARG 105 32.467 0.273 -10.844 853 H GLU 106 H GLU 106 28.568 -2.183 -7.163 854 HA GLU 106 HA GLU 106 27.280 -4.771 -6.907 855 HB2 GLU 106 2HB GLU 106 29.841 -3.968 -5.555 856 HB3 GLU 106 3HB GLU 106 29.323 -5.569 -6.063 857 HG2 GLU 106 2HG GLU 106 29.441 -4.636 -8.447 858 HG3 GLU 106 3HG GLU 106 30.373 -3.320 -7.734 859 H THR 107 H THR 107 28.159 -2.028 -4.873 860 HA THR 107 HA THR 107 27.565 -3.117 -2.374 861 HB THR 107 HB THR 107 26.988 -0.242 -3.051 862 HG1 THR 107 HG1 THR 107 29.572 -1.065 -2.313 863 HG21 THR 107 3HG2 THR 107 27.699 -1.807 -0.618 864 HG22 THR 107 1HG2 THR 107 26.531 -0.502 -0.817 865 HG23 THR 107 2HG2 THR 107 28.254 -0.138 -0.734 866 H LEU 108 H LEU 108 25.472 -1.907 -4.885 867 HA LEU 108 HA LEU 108 23.138 -1.849 -3.171 868 HB2 LEU 108 2HB LEU 108 22.097 -0.746 -4.842 869 HB3 LEU 108 3HB LEU 108 23.759 -0.435 -5.341 870 HG LEU 108 HG LEU 108 23.357 -2.662 -6.731 871 HD11 LEU 108 1HD1 LEU 108 20.632 -1.615 -6.102 872 HD12 LEU 108 2HD1 LEU 108 21.202 -3.281 -6.191 873 HD13 LEU 108 3HD1 LEU 108 20.953 -2.354 -7.671 874 HD21 LEU 108 3HD2 LEU 108 23.851 -1.107 -8.241 875 HD22 LEU 108 1HD2 LEU 108 23.154 0.171 -7.245 876 HD23 LEU 108 2HD2 LEU 108 22.126 -0.753 -8.341 877 H ASP 109 H ASP 109 24.732 -4.065 -5.280 878 HA ASP 109 HA ASP 109 22.432 -5.770 -5.653 879 HB2 ASP 109 2HB ASP 109 23.873 -5.928 -7.466 880 HB3 ASP 109 3HB ASP 109 25.315 -5.879 -6.455 881 H GLU 110 H GLU 110 25.426 -5.841 -3.755 882 HA GLU 110 HA GLU 110 25.181 -8.359 -2.621 883 HB2 GLU 110 2HB GLU 110 26.236 -5.905 -1.209 884 HB3 GLU 110 3HB GLU 110 26.649 -7.580 -0.870 885 HG2 GLU 110 2HG GLU 110 27.165 -6.888 -3.629 886 HG3 GLU 110 3HG GLU 110 28.023 -5.829 -2.511 887 H LEU 111 H LEU 111 23.364 -5.489 -2.014 888 HA LEU 111 HA LEU 111 22.204 -6.623 0.426 889 HB2 LEU 111 2HB LEU 111 22.780 -4.401 0.804 890 HB3 LEU 111 3HB LEU 111 22.234 -3.890 -0.792 891 HG LEU 111 HG LEU 111 20.180 -4.902 1.097 892 HD11 LEU 111 1HD1 LEU 111 21.615 -2.277 1.407 893 HD12 LEU 111 2HD1 LEU 111 21.370 -3.534 2.619 894 HD13 LEU 111 3HD1 LEU 111 20.001 -2.581 2.049 895 HD21 LEU 111 3HD2 LEU 111 19.122 -2.743 0.027 896 HD22 LEU 111 1HD2 LEU 111 19.213 -4.257 -0.874 897 HD23 LEU 111 2HD2 LEU 111 20.396 -2.983 -1.169 898 H LEU 112 H LEU 112 21.175 -5.185 -2.664 899 HA LEU 112 HA LEU 112 18.447 -5.729 -2.423 900 HB2 LEU 112 2HB LEU 112 19.603 -4.269 -4.130 901 HB3 LEU 112 3HB LEU 112 19.992 -5.749 -5.005 902 HG LEU 112 HG LEU 112 17.635 -6.190 -5.366 903 HD11 LEU 112 1HD1 LEU 112 16.384 -3.792 -4.645 904 HD12 LEU 112 2HD1 LEU 112 17.319 -4.292 -3.237 905 HD13 LEU 112 3HD1 LEU 112 16.135 -5.391 -3.943 906 HD21 LEU 112 3HD2 LEU 112 18.898 -3.667 -6.225 907 HD22 LEU 112 1HD2 LEU 112 17.159 -3.794 -6.489 908 HD23 LEU 112 2HD2 LEU 112 18.246 -4.998 -7.182 909 H ALA 113 H ALA 113 21.090 -7.828 -3.039 910 HA ALA 113 HA ALA 113 19.928 -9.872 -4.516 911 HB1 ALA 113 1HB ALA 113 21.561 -11.297 -2.956 912 HB2 ALA 113 2HB ALA 113 22.145 -10.274 -4.268 913 HB3 ALA 113 3HB ALA 113 22.180 -9.683 -2.607 914 H ARG 114 H ARG 114 19.429 -8.955 -1.211 915 HA ARG 114 HA ARG 114 18.503 -11.300 -0.072 916 HB2 ARG 114 2HB ARG 114 18.755 -8.801 0.831 917 HB3 ARG 114 3HB ARG 114 17.022 -8.792 0.535 918 HG2 ARG 114 2HG ARG 114 17.046 -9.486 2.700 919 HG3 ARG 114 3HG ARG 114 17.123 -11.050 1.887 920 HD2 ARG 114 2HD ARG 114 19.720 -9.763 2.383 921 HD3 ARG 114 3HD ARG 114 18.832 -10.242 3.829 922 HE ARG 114 HE ARG 114 18.702 -12.454 2.297 923 HH11 ARG 114 1HH1 ARG 114 21.344 -10.409 3.276 924 HH12 ARG 114 2HH1 ARG 114 22.513 -11.687 3.255 925 HH21 ARG 114 2HH2 ARG 114 21.879 -13.812 2.680 926 HH22 ARG 114 1HH2 ARG 114 20.232 -14.146 2.266 927 H LEU 115 H LEU 115 16.814 -9.016 -2.163 928 HA LEU 115 HA LEU 115 14.216 -9.933 -1.913 929 HB2 LEU 115 2HB LEU 115 15.231 -7.979 -3.294 930 HB3 LEU 115 3HB LEU 115 15.318 -9.173 -4.588 931 HG LEU 115 HG LEU 115 12.713 -8.741 -3.200 932 HD11 LEU 115 1HD1 LEU 115 12.289 -6.719 -4.065 933 HD12 LEU 115 2HD1 LEU 115 13.153 -7.066 -5.562 934 HD13 LEU 115 3HD1 LEU 115 14.044 -6.559 -4.127 935 HD21 LEU 115 3HD2 LEU 115 13.022 -9.030 -6.130 936 HD22 LEU 115 1HD2 LEU 115 11.826 -9.728 -5.038 937 HD23 LEU 115 2HD2 LEU 115 13.442 -10.427 -5.138 938 H GLU 116 H GLU 116 16.670 -11.006 -4.265 939 HA GLU 116 HA GLU 116 15.084 -13.459 -4.654 940 HB2 GLU 116 2HB GLU 116 16.946 -12.000 -6.528 941 HB3 GLU 116 3HB GLU 116 16.377 -13.636 -6.831 942 HG2 GLU 116 2HG GLU 116 14.650 -11.188 -6.544 943 HG3 GLU 116 3HG GLU 116 15.061 -12.003 -8.052 Start of MODEL 7 1 H1 MET 1 H MET 1 2.859 2.617 -4.804 2 HA MET 1 HA MET 1 4.192 1.000 -2.861 3 HB2 MET 1 2HB MET 1 2.942 2.257 -1.218 4 HB3 MET 1 3HB MET 1 3.540 3.357 -2.452 5 HG2 MET 1 2HG MET 1 1.440 4.142 -2.374 6 HG3 MET 1 3HG MET 1 1.128 2.805 -3.477 7 HE1 MET 1 3HE MET 1 -1.342 3.679 -0.107 8 HE2 MET 1 1HE MET 1 -0.243 4.693 -1.043 9 HE3 MET 1 2HE MET 1 -1.552 3.832 -1.852 10 H ALA 2 H ALA 2 1.125 0.882 -4.494 11 HA ALA 2 HA ALA 2 0.148 -1.215 -2.700 12 HB1 ALA 2 1HB ALA 2 -1.115 0.604 -4.675 13 HB2 ALA 2 2HB ALA 2 -1.866 -0.969 -4.407 14 HB3 ALA 2 3HB ALA 2 -1.644 0.143 -3.057 15 H ARG 3 H ARG 3 -0.163 -0.838 -6.222 16 HA ARG 3 HA ARG 3 0.416 -3.693 -6.511 17 HB2 ARG 3 2HB ARG 3 -1.222 -1.735 -7.968 18 HB3 ARG 3 3HB ARG 3 -0.309 -2.824 -9.005 19 HG2 ARG 3 2HG ARG 3 -1.350 -4.735 -8.063 20 HG3 ARG 3 3HG ARG 3 -2.069 -3.780 -6.764 21 HD2 ARG 3 2HD ARG 3 -3.466 -2.609 -8.364 22 HD3 ARG 3 3HD ARG 3 -2.701 -3.473 -9.697 23 HE ARG 3 HE ARG 3 -3.777 -5.343 -7.907 24 HH11 ARG 3 1HH1 ARG 3 -4.815 -2.917 -10.177 25 HH12 ARG 3 2HH1 ARG 3 -6.311 -3.711 -10.542 26 HH21 ARG 3 2HH2 ARG 3 -6.838 -5.692 -9.518 27 HH22 ARG 3 1HH2 ARG 3 -5.743 -6.399 -8.379 28 HA PRO 4 HA PRO 4 4.322 -3.151 -8.432 29 HB2 PRO 4 2HB PRO 4 4.265 -5.005 -10.415 30 HB3 PRO 4 3HB PRO 4 4.400 -5.431 -8.704 31 HG2 PRO 4 2HG PRO 4 1.985 -5.434 -10.473 32 HG3 PRO 4 3HG PRO 4 2.495 -6.637 -9.274 33 HD2 PRO 4 2HD PRO 4 0.581 -4.792 -8.762 34 HD3 PRO 4 3HD PRO 4 1.673 -5.409 -7.506 35 H SER 5 H SER 5 5.389 -2.936 -10.684 36 HA SER 5 HA SER 5 3.940 -2.087 -12.923 37 HB2 SER 5 2HB SER 5 4.628 0.418 -12.677 38 HB3 SER 5 3HB SER 5 3.169 -0.154 -11.868 39 HG SER 5 HG SER 5 4.256 0.921 -10.318 40 H ASN 6 H ASN 6 5.324 -1.086 -14.578 41 HA ASN 6 HA ASN 6 7.788 -2.360 -14.811 42 HB2 ASN 6 2HB ASN 6 6.646 0.047 -16.230 43 HB3 ASN 6 3HB ASN 6 8.196 -0.665 -16.669 44 HD21 ASN 6 2HD2 ASN 6 4.963 -2.092 -18.327 45 HD22 ASN 6 1HD2 ASN 6 5.180 -0.515 -17.654 46 H VAL 7 H VAL 7 7.006 0.902 -13.703 47 HA VAL 7 HA VAL 7 8.237 2.507 -12.655 48 HB VAL 7 HB VAL 7 9.885 0.140 -11.754 49 HG11 VAL 7 1HG1 VAL 7 9.916 2.077 -9.777 50 HG12 VAL 7 2HG1 VAL 7 11.235 1.685 -10.882 51 HG13 VAL 7 3HG1 VAL 7 10.115 2.990 -11.272 52 HG21 VAL 7 3HG2 VAL 7 8.369 0.815 -9.628 53 HG22 VAL 7 1HG2 VAL 7 7.263 1.211 -10.943 54 HG23 VAL 7 2HG2 VAL 7 7.916 -0.421 -10.802 55 H LYS 8 H LYS 8 9.014 3.555 -14.491 56 HA LYS 8 HA LYS 8 11.551 2.709 -15.636 57 HB2 LYS 8 2HB LYS 8 9.356 4.511 -16.418 58 HB3 LYS 8 3HB LYS 8 10.962 5.075 -16.861 59 HG2 LYS 8 2HG LYS 8 10.715 3.825 -18.685 60 HG3 LYS 8 3HG LYS 8 11.023 2.445 -17.628 61 HD2 LYS 8 2HD LYS 8 8.679 2.076 -17.317 62 HD3 LYS 8 3HD LYS 8 8.279 3.581 -18.148 63 HE2 LYS 8 2HE LYS 8 9.908 1.993 -19.864 64 HE3 LYS 8 3HE LYS 8 8.596 0.989 -19.247 65 HZ1 LYS 8 3HZ LYS 8 8.509 3.112 -21.155 66 HZ2 LYS 8 1HZ LYS 8 7.393 3.350 -19.905 67 HZ3 LYS 8 2HZ LYS 8 7.354 1.924 -20.814 68 HA PRO 9 HA PRO 9 14.166 5.496 -13.480 69 HB2 PRO 9 2HB PRO 9 15.849 6.352 -15.430 70 HB3 PRO 9 3HB PRO 9 15.903 4.715 -14.766 71 HG2 PRO 9 2HG PRO 9 14.639 5.690 -17.298 72 HG3 PRO 9 3HG PRO 9 15.603 4.228 -17.019 73 HD2 PRO 9 2HD PRO 9 12.898 4.188 -17.152 74 HD3 PRO 9 3HD PRO 9 13.820 3.073 -16.123 75 H SER 10 H SER 10 14.060 7.551 -12.796 76 HA SER 10 HA SER 10 13.939 9.832 -14.406 77 HB2 SER 10 2HB SER 10 11.783 9.854 -15.047 78 HB3 SER 10 3HB SER 10 11.371 8.532 -13.954 79 HG SER 10 HG SER 10 10.997 9.977 -12.341 80 HA PRO 11 HA PRO 11 14.816 11.776 -10.574 81 HB2 PRO 11 2HB PRO 11 13.784 14.261 -10.929 82 HB3 PRO 11 3HB PRO 11 15.242 13.699 -11.755 83 HG2 PRO 11 2HG PRO 11 12.430 13.854 -12.770 84 HG3 PRO 11 3HG PRO 11 13.940 14.294 -13.589 85 HD2 PRO 11 2HD PRO 11 12.659 11.955 -14.054 86 HD3 PRO 11 3HD PRO 11 14.425 12.109 -14.138 87 H HIS 12 H HIS 12 13.956 12.356 -8.573 88 HA HIS 12 HA HIS 12 11.050 12.551 -8.321 89 HB2 HIS 12 2HB HIS 12 12.775 10.440 -7.047 90 HB3 HIS 12 3HB HIS 12 11.251 10.937 -6.318 91 HD1 HIS 12 HD1 HIS 12 12.442 9.707 -9.722 92 HD2 HIS 12 HD2 HIS 12 9.164 9.458 -7.181 93 HE1 HIS 12 HE1 HIS 12 10.833 8.140 -10.852 94 H VAL 13 H VAL 13 11.026 14.589 -7.534 95 HA VAL 13 HA VAL 13 12.714 15.184 -5.197 96 HB VAL 13 HB VAL 13 13.081 16.711 -7.058 97 HG11 VAL 13 1HG1 VAL 13 10.317 16.451 -7.443 98 HG12 VAL 13 2HG1 VAL 13 10.593 18.142 -7.021 99 HG13 VAL 13 3HG1 VAL 13 11.448 17.422 -8.385 100 HG21 VAL 13 3HG2 VAL 13 11.503 18.161 -4.943 101 HG22 VAL 13 1HG2 VAL 13 13.114 17.500 -4.665 102 HG23 VAL 13 2HG2 VAL 13 12.875 18.760 -5.876 103 H ILE 14 H ILE 14 11.818 15.990 -3.326 104 HA ILE 14 HA ILE 14 8.875 16.072 -3.208 105 HB ILE 14 HB ILE 14 9.014 15.162 -0.907 106 HG12 ILE 14 2HG1 ILE 14 11.286 13.830 -0.586 107 HG13 ILE 14 3HG1 ILE 14 11.918 15.121 -1.602 108 HG21 ILE 14 1HG2 ILE 14 9.020 12.946 -1.575 109 HG22 ILE 14 2HG2 ILE 14 8.718 13.798 -3.089 110 HG23 ILE 14 3HG2 ILE 14 10.334 13.191 -2.726 111 HD11 ILE 14 3HD1 ILE 14 11.390 15.143 1.182 112 HD12 ILE 14 1HD1 ILE 14 12.074 16.419 0.175 113 HD13 ILE 14 2HD1 ILE 14 10.328 16.316 0.405 114 H LYS 15 H LYS 15 8.233 17.074 -0.951 115 HA LYS 15 HA LYS 15 9.983 19.119 0.041 116 HB2 LYS 15 2HB LYS 15 8.479 21.011 -0.588 117 HB3 LYS 15 3HB LYS 15 9.310 20.278 -1.953 118 HG2 LYS 15 2HG LYS 15 6.647 19.181 -1.339 119 HG3 LYS 15 3HG LYS 15 6.685 20.847 -1.922 120 HD2 LYS 15 2HD LYS 15 7.974 20.137 -3.875 121 HD3 LYS 15 3HD LYS 15 7.953 18.472 -3.288 122 HE2 LYS 15 2HE LYS 15 6.257 18.744 -4.978 123 HE3 LYS 15 3HE LYS 15 5.485 18.500 -3.412 124 HZ1 LYS 15 3HZ LYS 15 4.655 20.367 -4.979 125 HZ2 LYS 15 1HZ LYS 15 5.977 21.234 -4.378 126 HZ3 LYS 15 2HZ LYS 15 4.783 20.671 -3.320 127 H SER 16 H SER 16 8.285 16.866 0.954 128 HA SER 16 HA SER 16 7.054 18.253 3.183 129 HB2 SER 16 2HB SER 16 5.493 17.084 1.008 130 HB3 SER 16 3HB SER 16 5.066 16.418 2.584 131 HG SER 16 HG SER 16 4.371 18.757 1.562 132 H LEU 17 H LEU 17 6.449 16.788 4.929 133 HA LEU 17 HA LEU 17 8.393 14.733 5.280 134 HB2 LEU 17 2HB LEU 17 7.056 16.314 6.978 135 HB3 LEU 17 3HB LEU 17 6.056 14.867 7.090 136 HG LEU 17 HG LEU 17 8.087 13.582 7.728 137 HD11 LEU 17 1HD1 LEU 17 9.519 15.590 6.688 138 HD12 LEU 17 2HD1 LEU 17 10.149 14.485 7.909 139 HD13 LEU 17 3HD1 LEU 17 9.536 16.069 8.385 140 HD21 LEU 17 3HD2 LEU 17 8.249 14.535 10.008 141 HD22 LEU 17 1HD2 LEU 17 6.587 14.353 9.447 142 HD23 LEU 17 2HD2 LEU 17 7.347 15.945 9.449 143 H GLU 18 H GLU 18 4.832 14.674 5.107 144 HA GLU 18 HA GLU 18 4.435 11.949 5.268 145 HB2 GLU 18 2HB GLU 18 2.845 14.150 4.773 146 HB3 GLU 18 3HB GLU 18 2.700 13.220 3.288 147 HG2 GLU 18 2HG GLU 18 1.992 11.272 4.556 148 HG3 GLU 18 3HG GLU 18 2.175 12.172 6.061 149 H GLU 19 H GLU 19 5.014 13.891 2.347 150 HA GLU 19 HA GLU 19 4.804 11.923 0.428 151 HB2 GLU 19 2HB GLU 19 5.239 14.434 0.138 152 HB3 GLU 19 3HB GLU 19 6.942 14.041 0.328 153 HG2 GLU 19 2HG GLU 19 6.621 14.095 -1.972 154 HG3 GLU 19 3HG GLU 19 6.592 12.378 -1.575 155 H LEU 20 H LEU 20 7.480 12.614 2.597 156 HA LEU 20 HA LEU 20 9.357 10.887 1.344 157 HB2 LEU 20 2HB LEU 20 9.490 12.789 3.281 158 HB3 LEU 20 3HB LEU 20 9.632 11.315 4.237 159 HG LEU 20 HG LEU 20 11.518 10.679 2.615 160 HD11 LEU 20 1HD1 LEU 20 10.712 12.870 1.243 161 HD12 LEU 20 2HD1 LEU 20 12.322 12.159 1.132 162 HD13 LEU 20 3HD1 LEU 20 12.039 13.537 2.195 163 HD21 LEU 20 3HD2 LEU 20 11.705 11.473 5.016 164 HD22 LEU 20 1HD2 LEU 20 12.060 13.069 4.356 165 HD23 LEU 20 2HD2 LEU 20 13.125 11.710 3.997 166 H ARG 21 H ARG 21 7.714 10.511 4.492 167 HA ARG 21 HA ARG 21 8.350 7.854 4.916 168 HB2 ARG 21 2HB ARG 21 6.972 9.712 6.313 169 HB3 ARG 21 3HB ARG 21 5.645 8.690 5.777 170 HG2 ARG 21 2HG ARG 21 7.245 6.778 6.671 171 HG3 ARG 21 3HG ARG 21 7.851 8.105 7.665 172 HD2 ARG 21 2HD ARG 21 5.608 8.535 8.495 173 HD3 ARG 21 3HD ARG 21 4.961 7.267 7.454 174 HE ARG 21 HE ARG 21 6.184 6.922 9.995 175 HH11 ARG 21 1HH1 ARG 21 5.828 5.442 6.864 176 HH12 ARG 21 2HH1 ARG 21 6.067 3.831 7.454 177 HH21 ARG 21 2HH2 ARG 21 6.449 3.469 9.684 178 HH22 ARG 21 1HH2 ARG 21 6.500 4.805 10.784 179 H GLU 22 H GLU 22 5.935 9.243 2.833 180 HA GLU 22 HA GLU 22 4.467 6.809 2.442 181 HB2 GLU 22 2HB GLU 22 3.464 9.067 2.156 182 HB3 GLU 22 3HB GLU 22 4.487 9.312 0.748 183 HG2 GLU 22 2HG GLU 22 3.413 7.379 -0.335 184 HG3 GLU 22 3HG GLU 22 2.346 7.221 1.059 185 H ALA 23 H ALA 23 7.139 8.433 0.869 186 HA ALA 23 HA ALA 23 7.118 6.792 -1.477 187 HB1 ALA 23 1HB ALA 23 8.390 8.467 -2.180 188 HB2 ALA 23 2HB ALA 23 8.557 9.082 -0.534 189 HB3 ALA 23 3HB ALA 23 9.688 7.874 -1.143 190 H THR 24 H THR 24 8.426 6.516 1.709 191 HA THR 24 HA THR 24 10.447 4.588 1.080 192 HB THR 24 HB THR 24 9.860 4.209 3.754 193 HG1 THR 24 HG1 THR 24 9.815 6.647 4.288 194 HG21 THR 24 3HG2 THR 24 12.089 4.498 2.962 195 HG22 THR 24 1HG2 THR 24 11.785 5.794 4.119 196 HG23 THR 24 2HG2 THR 24 11.740 6.129 2.388 197 H ALA 25 H ALA 25 7.058 4.467 1.528 198 HA ALA 25 HA ALA 25 7.052 1.624 2.182 199 HB1 ALA 25 1HB ALA 25 4.655 1.857 2.423 200 HB2 ALA 25 2HB ALA 25 5.475 3.132 3.324 201 HB3 ALA 25 3HB ALA 25 4.722 3.494 1.771 202 H SER 26 H SER 26 7.754 3.068 -0.508 203 HA SER 26 HA SER 26 5.855 2.199 -2.410 204 HB2 SER 26 2HB SER 26 8.683 3.151 -2.513 205 HB3 SER 26 3HB SER 26 8.023 2.347 -3.937 206 HG SER 26 HG SER 26 7.328 4.312 -4.323 207 H ASN 27 H ASN 27 6.087 0.499 -3.988 208 HA ASN 27 HA ASN 27 7.185 -1.927 -2.787 209 HB2 ASN 27 2HB ASN 27 5.749 -3.153 -4.240 210 HB3 ASN 27 3HB ASN 27 4.798 -1.801 -3.631 211 HD21 ASN 27 2HD2 ASN 27 4.548 -0.163 -6.738 212 HD22 ASN 27 1HD2 ASN 27 4.551 0.057 -5.025 213 H ARG 28 H ARG 28 9.033 -0.063 -3.870 214 HA ARG 28 HA ARG 28 10.293 -1.781 -5.864 215 HB2 ARG 28 2HB ARG 28 8.958 0.473 -6.688 216 HB3 ARG 28 3HB ARG 28 10.601 1.068 -6.490 217 HG2 ARG 28 2HG ARG 28 10.462 0.393 -8.723 218 HG3 ARG 28 3HG ARG 28 11.323 -0.914 -7.908 219 HD2 ARG 28 2HD ARG 28 9.269 -2.211 -7.782 220 HD3 ARG 28 3HD ARG 28 8.374 -0.893 -8.537 221 HE ARG 28 HE ARG 28 10.286 -1.428 -10.357 222 HH11 ARG 28 1HH1 ARG 28 8.014 -3.442 -8.654 223 HH12 ARG 28 2HH1 ARG 28 7.887 -4.605 -9.932 224 HH21 ARG 28 2HH2 ARG 28 9.091 -4.325 -11.861 225 HH22 ARG 28 1HH2 ARG 28 10.128 -2.952 -12.047 226 H ILE 29 H ILE 29 12.491 -0.294 -6.464 227 HA ILE 29 HA ILE 29 13.790 -0.034 -3.838 228 HB ILE 29 HB ILE 29 15.174 -0.441 -6.485 229 HG12 ILE 29 2HG1 ILE 29 15.402 -2.816 -5.114 230 HG13 ILE 29 3HG1 ILE 29 13.741 -2.344 -4.773 231 HG21 ILE 29 1HG2 ILE 29 16.033 -0.556 -3.612 232 HG22 ILE 29 2HG2 ILE 29 16.959 -1.334 -4.894 233 HG23 ILE 29 3HG2 ILE 29 16.703 0.410 -4.927 234 HD11 ILE 29 3HD1 ILE 29 14.725 -2.251 -7.579 235 HD12 ILE 29 1HD1 ILE 29 14.314 -3.804 -6.854 236 HD13 ILE 29 2HD1 ILE 29 13.098 -2.532 -6.962 237 H SER 30 H SER 30 13.749 2.053 -3.254 238 HA SER 30 HA SER 30 14.431 4.088 -5.263 239 HB2 SER 30 2HB SER 30 13.201 4.520 -2.533 240 HB3 SER 30 3HB SER 30 13.363 5.709 -3.825 241 HG SER 30 HG SER 30 12.080 3.860 -4.988 242 H VAL 31 H VAL 31 15.895 5.790 -4.686 243 HA VAL 31 HA VAL 31 17.845 4.983 -2.627 244 HB VAL 31 HB VAL 31 18.463 6.582 -5.110 245 HG11 VAL 31 1HG1 VAL 31 20.786 6.057 -4.553 246 HG12 VAL 31 2HG1 VAL 31 19.994 6.930 -3.240 247 HG13 VAL 31 3HG1 VAL 31 20.248 5.189 -3.115 248 HG21 VAL 31 3HG2 VAL 31 18.873 3.634 -4.611 249 HG22 VAL 31 1HG2 VAL 31 17.736 4.349 -5.754 250 HG23 VAL 31 2HG2 VAL 31 19.472 4.532 -6.005 251 H ILE 32 H ILE 32 17.085 6.229 -0.950 252 HA ILE 32 HA ILE 32 16.446 9.010 -1.292 253 HB ILE 32 HB ILE 32 16.931 7.598 1.326 254 HG12 ILE 32 2HG1 ILE 32 14.177 7.715 0.876 255 HG13 ILE 32 3HG1 ILE 32 14.851 7.157 -0.651 256 HG21 ILE 32 1HG2 ILE 32 14.834 9.627 1.092 257 HG22 ILE 32 2HG2 ILE 32 16.078 9.416 2.322 258 HG23 ILE 32 3HG2 ILE 32 16.466 10.231 0.807 259 HD11 ILE 32 3HD1 ILE 32 14.439 5.195 0.489 260 HD12 ILE 32 1HD1 ILE 32 16.151 5.474 0.807 261 HD13 ILE 32 2HD1 ILE 32 14.949 5.867 2.037 262 H VAL 33 H VAL 33 18.149 10.240 -1.902 263 HA VAL 33 HA VAL 33 20.646 10.032 -0.369 264 HB VAL 33 HB VAL 33 20.195 11.586 -2.916 265 HG11 VAL 33 1HG1 VAL 33 22.760 11.157 -2.985 266 HG12 VAL 33 2HG1 VAL 33 22.117 12.445 -1.964 267 HG13 VAL 33 3HG1 VAL 33 22.579 10.899 -1.250 268 HG21 VAL 33 3HG2 VAL 33 21.344 9.694 -4.040 269 HG22 VAL 33 1HG2 VAL 33 21.219 8.776 -2.539 270 HG23 VAL 33 2HG2 VAL 33 19.758 9.268 -3.396 271 H PHE 34 H PHE 34 21.090 11.499 1.130 272 HA PHE 34 HA PHE 34 19.424 13.876 1.343 273 HB2 PHE 34 2HB PHE 34 19.627 12.841 3.425 274 HB3 PHE 34 3HB PHE 34 21.331 12.468 3.182 275 HD1 PHE 34 HD1 PHE 34 22.469 13.458 4.929 276 HD2 PHE 34 HD2 PHE 34 19.494 15.688 2.856 277 HE1 PHE 34 HE1 PHE 34 23.091 15.468 6.205 278 HE2 PHE 34 HE2 PHE 34 20.112 17.701 4.128 279 HZ PHE 34 HZ PHE 34 21.913 17.593 5.805 280 H THR 35 H THR 35 20.052 15.852 0.772 281 HA THR 35 HA THR 35 22.801 16.682 0.854 282 HB THR 35 HB THR 35 22.680 15.445 -1.321 283 HG1 THR 35 HG1 THR 35 24.222 16.861 -1.639 284 HG21 THR 35 3HG2 THR 35 20.750 17.660 -2.021 285 HG22 THR 35 1HG2 THR 35 20.398 15.933 -1.961 286 HG23 THR 35 2HG2 THR 35 21.494 16.567 -3.189 287 H HIS 36 H HIS 36 23.060 18.963 0.230 288 HA HIS 36 HA HIS 36 20.674 20.473 0.960 289 HB2 HIS 36 2HB HIS 36 23.071 20.771 1.954 290 HB3 HIS 36 3HB HIS 36 23.369 21.706 0.492 291 HD1 HIS 36 HD1 HIS 36 20.735 21.651 3.247 292 HD2 HIS 36 HD2 HIS 36 22.817 24.322 0.840 293 HE1 HIS 36 HE1 HIS 36 19.996 23.938 3.986 294 HA PRO 37 HA PRO 37 19.861 21.650 -3.220 295 HB2 PRO 37 2HB PRO 37 18.159 23.699 -2.693 296 HB3 PRO 37 3HB PRO 37 17.698 22.000 -2.529 297 HG2 PRO 37 2HG PRO 37 18.549 23.944 -0.417 298 HG3 PRO 37 3HG PRO 37 17.233 22.755 -0.380 299 HD2 PRO 37 2HD PRO 37 19.623 22.320 0.816 300 HD3 PRO 37 3HD PRO 37 18.655 21.009 0.112 301 H ASP 38 H ASP 38 21.284 23.703 -0.843 302 HA ASP 38 HA ASP 38 22.060 25.634 -2.927 303 HB2 ASP 38 2HB ASP 38 20.833 26.713 -1.147 304 HB3 ASP 38 3HB ASP 38 21.868 25.972 0.071 305 H SER 39 H SER 39 23.667 23.925 -3.500 306 HA SER 39 HA SER 39 26.228 24.634 -2.583 307 HB2 SER 39 2HB SER 39 25.592 23.355 -0.582 308 HB3 SER 39 3HB SER 39 25.237 21.951 -1.587 309 HG SER 39 HG SER 39 27.490 22.423 -0.494 310 H LYS 40 H LYS 40 26.857 24.700 -4.680 311 HA LYS 40 HA LYS 40 26.254 22.657 -6.575 312 HB2 LYS 40 2HB LYS 40 27.868 23.865 -8.027 313 HB3 LYS 40 3HB LYS 40 26.633 24.914 -7.341 314 HG2 LYS 40 2HG LYS 40 28.557 25.183 -5.482 315 HG3 LYS 40 3HG LYS 40 29.545 24.880 -6.913 316 HD2 LYS 40 2HD LYS 40 27.403 26.756 -7.456 317 HD3 LYS 40 3HD LYS 40 28.441 27.308 -6.139 318 HE2 LYS 40 2HE LYS 40 29.283 28.130 -8.254 319 HE3 LYS 40 3HE LYS 40 30.409 26.956 -7.575 320 HZ1 LYS 40 3HZ LYS 40 30.203 25.696 -9.369 321 HZ2 LYS 40 1HZ LYS 40 29.283 26.919 -10.092 322 HZ3 LYS 40 2HZ LYS 40 28.516 25.671 -9.247 323 H ARG 41 H ARG 41 29.140 23.502 -4.697 324 HA ARG 41 HA ARG 41 30.872 21.593 -5.792 325 HB2 ARG 41 2HB ARG 41 32.231 21.918 -3.796 326 HB3 ARG 41 3HB ARG 41 31.626 23.461 -4.382 327 HG2 ARG 41 2HG ARG 41 29.979 22.112 -2.343 328 HG3 ARG 41 3HG ARG 41 31.550 22.714 -1.812 329 HD2 ARG 41 2HD ARG 41 30.391 24.728 -3.411 330 HD3 ARG 41 3HD ARG 41 29.135 24.162 -2.311 331 HE ARG 41 HE ARG 41 31.282 24.510 -0.694 332 HH11 ARG 41 1HH1 ARG 41 29.650 26.542 -3.002 333 HH12 ARG 41 2HH1 ARG 41 30.027 28.014 -2.169 334 HH21 ARG 41 2HH2 ARG 41 31.243 27.955 -0.228 335 HH22 ARG 41 1HH2 ARG 41 31.785 26.441 0.411 336 H SER 42 H SER 42 28.190 21.236 -3.703 337 HA SER 42 HA SER 42 29.067 18.573 -2.838 338 HB2 SER 42 2HB SER 42 28.108 20.330 -1.211 339 HB3 SER 42 3HB SER 42 26.545 19.952 -1.935 340 HG SER 42 HG SER 42 27.028 18.690 -0.054 341 H LYS 43 H LYS 43 26.530 20.243 -4.619 342 HA LYS 43 HA LYS 43 25.108 17.788 -5.190 343 HB2 LYS 43 2HB LYS 43 24.717 20.673 -5.933 344 HB3 LYS 43 3HB LYS 43 23.801 19.406 -6.740 345 HG2 LYS 43 2HG LYS 43 23.534 18.840 -4.034 346 HG3 LYS 43 3HG LYS 43 23.408 20.598 -4.142 347 HD2 LYS 43 2HD LYS 43 21.859 18.751 -5.942 348 HD3 LYS 43 3HD LYS 43 21.246 19.280 -4.373 349 HE2 LYS 43 2HE LYS 43 20.498 21.139 -5.329 350 HE3 LYS 43 3HE LYS 43 22.161 21.587 -5.704 351 HZ1 LYS 43 3HZ LYS 43 21.917 21.026 -7.846 352 HZ2 LYS 43 1HZ LYS 43 20.261 21.194 -7.542 353 HZ3 LYS 43 2HZ LYS 43 20.975 19.662 -7.509 354 H GLU 44 H GLU 44 27.924 18.931 -6.273 355 HA GLU 44 HA GLU 44 27.642 18.768 -9.099 356 HB2 GLU 44 2HB GLU 44 30.110 18.694 -9.120 357 HB3 GLU 44 3HB GLU 44 29.488 19.997 -8.118 358 HG2 GLU 44 2HG GLU 44 29.830 18.535 -6.130 359 HG3 GLU 44 3HG GLU 44 30.622 17.371 -7.191 360 H ILE 45 H ILE 45 28.523 16.470 -6.580 361 HA ILE 45 HA ILE 45 29.341 14.376 -8.297 362 HB ILE 45 HB ILE 45 29.004 12.895 -6.346 363 HG12 ILE 45 2HG1 ILE 45 28.479 14.334 -4.177 364 HG13 ILE 45 3HG1 ILE 45 27.588 15.320 -5.331 365 HG21 ILE 45 1HG2 ILE 45 30.807 15.019 -6.629 366 HG22 ILE 45 2HG2 ILE 45 30.336 15.008 -4.930 367 HG23 ILE 45 3HG2 ILE 45 31.012 13.556 -5.667 368 HD11 ILE 45 3HD1 ILE 45 26.015 13.722 -5.690 369 HD12 ILE 45 1HD1 ILE 45 27.126 12.393 -5.361 370 HD13 ILE 45 2HD1 ILE 45 26.456 13.333 -4.027 371 H LYS 46 H LYS 46 26.293 15.690 -7.666 372 HA LYS 46 HA LYS 46 24.543 13.567 -7.675 373 HB2 LYS 46 2HB LYS 46 24.315 16.275 -8.987 374 HB3 LYS 46 3HB LYS 46 22.978 15.134 -8.918 375 HG2 LYS 46 2HG LYS 46 24.417 16.204 -6.500 376 HG3 LYS 46 3HG LYS 46 22.920 16.875 -7.153 377 HD2 LYS 46 2HD LYS 46 21.669 15.228 -6.280 378 HD3 LYS 46 3HD LYS 46 22.837 13.981 -6.722 379 HE2 LYS 46 2HE LYS 46 23.910 15.640 -4.642 380 HE3 LYS 46 3HE LYS 46 22.322 15.039 -4.169 381 HZ1 LYS 46 3HZ LYS 46 24.150 13.107 -5.355 382 HZ2 LYS 46 1HZ LYS 46 23.048 12.918 -4.085 383 HZ3 LYS 46 2HZ LYS 46 24.542 13.659 -3.805 384 H GLU 47 H GLU 47 26.012 15.166 -10.489 385 HA GLU 47 HA GLU 47 24.761 13.781 -12.520 386 HB2 GLU 47 2HB GLU 47 26.372 15.698 -12.764 387 HB3 GLU 47 3HB GLU 47 27.681 14.550 -12.520 388 HG2 GLU 47 2HG GLU 47 27.557 14.762 -14.823 389 HG3 GLU 47 3HG GLU 47 26.672 13.272 -14.496 390 H LYS 48 H LYS 48 27.512 12.800 -10.545 391 HA LYS 48 HA LYS 48 28.368 10.561 -11.914 392 HB2 LYS 48 2HB LYS 48 28.146 10.762 -8.907 393 HB3 LYS 48 3HB LYS 48 29.268 9.764 -9.822 394 HG2 LYS 48 2HG LYS 48 29.615 12.453 -10.654 395 HG3 LYS 48 3HG LYS 48 29.611 12.416 -8.889 396 HD2 LYS 48 2HD LYS 48 31.237 10.461 -10.483 397 HD3 LYS 48 3HD LYS 48 31.850 12.075 -10.116 398 HE2 LYS 48 2HE LYS 48 31.861 11.671 -7.813 399 HE3 LYS 48 3HE LYS 48 30.776 10.289 -7.959 400 HZ1 LYS 48 3HZ LYS 48 32.778 9.256 -7.663 401 HZ2 LYS 48 1HZ LYS 48 33.660 10.450 -8.475 402 HZ3 LYS 48 2HZ LYS 48 32.742 9.333 -9.353 403 H LEU 49 H LEU 49 25.768 10.787 -9.503 404 HA LEU 49 HA LEU 49 25.076 8.022 -9.686 405 HB2 LEU 49 2HB LEU 49 24.643 9.505 -7.717 406 HB3 LEU 49 3HB LEU 49 23.380 10.292 -8.662 407 HG LEU 49 HG LEU 49 22.240 8.058 -8.815 408 HD11 LEU 49 1HD1 LEU 49 24.342 6.778 -8.260 409 HD12 LEU 49 2HD1 LEU 49 22.884 6.277 -7.403 410 HD13 LEU 49 3HD1 LEU 49 24.093 7.265 -6.583 411 HD21 LEU 49 3HD2 LEU 49 22.603 9.673 -6.359 412 HD22 LEU 49 1HD2 LEU 49 21.767 8.129 -6.193 413 HD23 LEU 49 2HD2 LEU 49 21.148 9.351 -7.303 414 H LYS 50 H LYS 50 24.068 10.945 -11.310 415 HA LYS 50 HA LYS 50 21.678 9.970 -12.453 416 HB2 LYS 50 2HB LYS 50 23.561 12.205 -13.136 417 HB3 LYS 50 3HB LYS 50 22.227 11.810 -14.211 418 HG2 LYS 50 2HG LYS 50 20.941 11.948 -11.833 419 HG3 LYS 50 3HG LYS 50 22.219 13.142 -11.598 420 HD2 LYS 50 2HD LYS 50 21.332 13.698 -14.137 421 HD3 LYS 50 3HD LYS 50 19.847 13.239 -13.301 422 HE2 LYS 50 2HE LYS 50 20.410 14.860 -11.513 423 HE3 LYS 50 3HE LYS 50 21.814 15.363 -12.453 424 HZ1 LYS 50 3HZ LYS 50 20.548 16.660 -13.709 425 HZ2 LYS 50 1HZ LYS 50 19.274 16.381 -12.632 426 HZ3 LYS 50 2HZ LYS 50 19.436 15.423 -14.017 427 H LYS 51 H LYS 51 25.028 10.001 -13.598 428 HA LYS 51 HA LYS 51 24.479 8.900 -16.151 429 HB2 LYS 51 2HB LYS 51 26.777 9.758 -14.675 430 HB3 LYS 51 3HB LYS 51 27.100 8.165 -15.349 431 HG2 LYS 51 2HG LYS 51 26.082 9.297 -17.521 432 HG3 LYS 51 3HG LYS 51 26.665 10.756 -16.716 433 HD2 LYS 51 2HD LYS 51 28.475 10.088 -18.028 434 HD3 LYS 51 3HD LYS 51 28.870 9.463 -16.425 435 HE2 LYS 51 2HE LYS 51 27.304 7.569 -17.949 436 HE3 LYS 51 3HE LYS 51 28.772 8.029 -18.809 437 HZ1 LYS 51 3HZ LYS 51 28.663 6.125 -16.937 438 HZ2 LYS 51 1HZ LYS 51 29.126 7.451 -15.995 439 HZ3 LYS 51 2HZ LYS 51 30.066 6.989 -17.322 440 H LEU 52 H LEU 52 25.001 7.513 -12.996 441 HA LEU 52 HA LEU 52 25.657 4.893 -13.702 442 HB2 LEU 52 2HB LEU 52 25.833 5.662 -11.430 443 HB3 LEU 52 3HB LEU 52 24.096 5.948 -11.351 444 HG LEU 52 HG LEU 52 24.957 3.175 -11.922 445 HD11 LEU 52 1HD1 LEU 52 25.309 2.743 -9.508 446 HD12 LEU 52 2HD1 LEU 52 25.332 4.484 -9.235 447 HD13 LEU 52 3HD1 LEU 52 26.574 3.734 -10.236 448 HD21 LEU 52 3HD2 LEU 52 22.609 3.721 -11.750 449 HD22 LEU 52 1HD2 LEU 52 22.861 4.438 -10.159 450 HD23 LEU 52 2HD2 LEU 52 23.081 2.703 -10.389 451 H ALA 53 H ALA 53 22.713 6.609 -14.046 452 HA ALA 53 HA ALA 53 20.782 4.634 -13.879 453 HB1 ALA 53 1HB ALA 53 19.370 6.105 -14.899 454 HB2 ALA 53 2HB ALA 53 20.665 7.214 -14.448 455 HB3 ALA 53 3HB ALA 53 20.567 6.598 -16.098 456 H GLU 54 H GLU 54 23.242 5.107 -16.273 457 HA GLU 54 HA GLU 54 22.045 3.579 -18.352 458 HB2 GLU 54 2HB GLU 54 23.817 5.170 -18.839 459 HB3 GLU 54 3HB GLU 54 24.939 4.273 -17.825 460 HG2 GLU 54 2HG GLU 54 23.644 2.847 -20.083 461 HG3 GLU 54 3HG GLU 54 24.916 4.012 -20.445 462 H GLU 55 H GLU 55 24.391 2.824 -15.803 463 HA GLU 55 HA GLU 55 24.840 0.146 -16.579 464 HB2 GLU 55 2HB GLU 55 26.482 0.807 -15.139 465 HB3 GLU 55 3HB GLU 55 25.392 1.801 -14.183 466 HG2 GLU 55 2HG GLU 55 24.699 0.029 -12.879 467 HG3 GLU 55 3HG GLU 55 25.168 -1.172 -14.082 468 H PHE 56 H PHE 56 22.564 1.630 -14.315 469 HA PHE 56 HA PHE 56 20.872 -0.727 -14.505 470 HB2 PHE 56 2HB PHE 56 22.467 -0.968 -12.507 471 HB3 PHE 56 3HB PHE 56 21.552 0.344 -11.773 472 HD1 PHE 56 HD1 PHE 56 20.528 -2.643 -13.758 473 HD2 PHE 56 HD2 PHE 56 20.234 -0.498 -10.093 474 HE1 PHE 56 HE1 PHE 56 18.865 -4.265 -12.947 475 HE2 PHE 56 HE2 PHE 56 18.571 -2.117 -9.276 476 HZ PHE 56 HZ PHE 56 17.885 -4.004 -10.702 477 HA PRO 57 HA PRO 57 18.549 3.260 -14.609 478 HB2 PRO 57 2HB PRO 57 16.888 2.488 -16.613 479 HB3 PRO 57 3HB PRO 57 18.482 3.193 -16.905 480 HG2 PRO 57 2HG PRO 57 17.649 0.317 -16.927 481 HG3 PRO 57 3HG PRO 57 18.711 1.183 -18.053 482 HD2 PRO 57 2HD PRO 57 19.667 -0.400 -16.076 483 HD3 PRO 57 3HD PRO 57 20.529 1.044 -16.644 484 H ASP 58 H ASP 58 17.887 0.021 -13.894 485 HA ASP 58 HA ASP 58 15.082 0.096 -13.561 486 HB2 ASP 58 2HB ASP 58 15.822 -2.074 -13.552 487 HB3 ASP 58 3HB ASP 58 17.292 -1.682 -12.664 488 H VAL 59 H VAL 59 17.768 0.970 -11.474 489 HA VAL 59 HA VAL 59 16.234 1.274 -9.097 490 HB VAL 59 HB VAL 59 18.720 0.978 -9.157 491 HG11 VAL 59 1HG1 VAL 59 19.091 3.888 -9.541 492 HG12 VAL 59 2HG1 VAL 59 20.155 2.543 -9.955 493 HG13 VAL 59 3HG1 VAL 59 18.774 2.927 -10.984 494 HG21 VAL 59 3HG2 VAL 59 17.762 3.427 -7.677 495 HG22 VAL 59 1HG2 VAL 59 17.518 1.761 -7.153 496 HG23 VAL 59 2HG2 VAL 59 19.149 2.422 -7.258 497 H ASP 60 H ASP 60 15.268 3.049 -8.218 498 HA ASP 60 HA ASP 60 14.922 5.347 -10.013 499 HB2 ASP 60 2HB ASP 60 12.810 4.429 -9.499 500 HB3 ASP 60 3HB ASP 60 13.227 4.204 -7.802 501 H ILE 61 H ILE 61 15.962 7.159 -9.553 502 HA ILE 61 HA ILE 61 17.399 7.493 -7.106 503 HB ILE 61 HB ILE 61 16.900 9.470 -9.335 504 HG12 ILE 61 2HG1 ILE 61 19.593 8.421 -9.070 505 HG13 ILE 61 3HG1 ILE 61 18.426 7.128 -9.324 506 HG21 ILE 61 1HG2 ILE 61 18.557 9.580 -6.854 507 HG22 ILE 61 2HG2 ILE 61 19.093 10.426 -8.304 508 HG23 ILE 61 3HG2 ILE 61 17.536 10.821 -7.578 509 HD11 ILE 61 3HD1 ILE 61 19.519 8.157 -11.374 510 HD12 ILE 61 1HD1 ILE 61 17.765 7.980 -11.393 511 HD13 ILE 61 2HD1 ILE 61 18.489 9.557 -11.074 512 H TYR 62 H TYR 62 16.963 8.767 -5.370 513 HA TYR 62 HA TYR 62 14.490 10.352 -5.408 514 HB2 TYR 62 2HB TYR 62 14.092 8.130 -4.327 515 HB3 TYR 62 3HB TYR 62 15.307 8.546 -3.124 516 HD1 TYR 62 HD1 TYR 62 12.281 10.150 -4.640 517 HD2 TYR 62 HD2 TYR 62 14.482 9.274 -1.105 518 HE1 TYR 62 HE1 TYR 62 10.554 11.271 -3.294 519 HE2 TYR 62 HE2 TYR 62 12.760 10.392 0.250 520 HH TYR 62 HH TYR 62 9.780 11.009 -0.705 521 H LEU 63 H LEU 63 15.000 12.383 -4.969 522 HA LEU 63 HA LEU 63 17.349 12.947 -3.308 523 HB2 LEU 63 2HB LEU 63 15.956 14.335 -5.505 524 HB3 LEU 63 3HB LEU 63 16.581 15.368 -4.221 525 HG LEU 63 HG LEU 63 18.139 15.184 -6.102 526 HD11 LEU 63 1HD1 LEU 63 18.805 15.314 -3.589 527 HD12 LEU 63 2HD1 LEU 63 20.040 15.021 -4.812 528 HD13 LEU 63 3HD1 LEU 63 19.409 13.679 -3.858 529 HD21 LEU 63 3HD2 LEU 63 19.333 12.989 -6.391 530 HD22 LEU 63 1HD2 LEU 63 17.669 13.028 -6.973 531 HD23 LEU 63 2HD2 LEU 63 18.047 12.249 -5.436 532 H VAL 64 H VAL 64 17.214 13.969 -1.385 533 HA VAL 64 HA VAL 64 14.589 14.999 -0.543 534 HB VAL 64 HB VAL 64 16.424 13.427 1.265 535 HG11 VAL 64 1HG1 VAL 64 14.318 13.328 2.656 536 HG12 VAL 64 2HG1 VAL 64 15.084 14.913 2.531 537 HG13 VAL 64 3HG1 VAL 64 13.649 14.548 1.573 538 HG21 VAL 64 3HG2 VAL 64 15.654 11.835 -0.291 539 HG22 VAL 64 1HG2 VAL 64 14.578 11.684 1.099 540 HG23 VAL 64 2HG2 VAL 64 14.041 12.546 -0.343 541 H ASP 65 H ASP 65 14.612 16.836 0.672 542 HA ASP 65 HA ASP 65 17.258 18.006 1.235 543 HB2 ASP 65 2HB ASP 65 15.723 20.197 1.118 544 HB3 ASP 65 3HB ASP 65 16.500 19.510 -0.306 545 H THR 66 H THR 66 17.699 18.380 3.299 546 HA THR 66 HA THR 66 16.033 17.707 5.412 547 HB THR 66 HB THR 66 17.643 19.434 6.671 548 HG1 THR 66 HG1 THR 66 19.680 19.349 5.420 549 HG21 THR 66 3HG2 THR 66 17.708 17.102 7.140 550 HG22 THR 66 1HG2 THR 66 19.355 17.578 6.727 551 HG23 THR 66 2HG2 THR 66 18.358 16.731 5.544 552 H SER 67 H SER 67 16.127 20.588 3.530 553 HA SER 67 HA SER 67 15.177 22.528 5.240 554 HB2 SER 67 2HB SER 67 15.631 22.399 2.555 555 HB3 SER 67 3HB SER 67 13.871 22.506 2.593 556 HG SER 67 HG SER 67 15.755 24.313 3.691 557 H THR 68 H THR 68 13.515 19.775 3.929 558 HA THR 68 HA THR 68 10.965 20.739 5.030 559 HB THR 68 HB THR 68 9.966 18.808 3.753 560 HG1 THR 68 HG1 THR 68 11.341 17.950 2.080 561 HG21 THR 68 3HG2 THR 68 9.501 20.487 2.360 562 HG22 THR 68 1HG2 THR 68 10.975 20.089 1.478 563 HG23 THR 68 2HG2 THR 68 11.013 21.303 2.757 564 H ASN 69 H ASN 69 13.400 18.265 5.316 565 HA ASN 69 HA ASN 69 11.936 17.160 7.620 566 HB2 ASN 69 2HB ASN 69 12.881 14.942 7.087 567 HB3 ASN 69 3HB ASN 69 11.850 15.543 5.792 568 HD21 ASN 69 2HD2 ASN 69 15.620 14.516 5.054 569 HD22 ASN 69 1HD2 ASN 69 14.790 14.189 6.533 570 HA PRO 70 HA PRO 70 16.207 18.695 8.773 571 HB2 PRO 70 2HB PRO 70 15.374 20.302 10.797 572 HB3 PRO 70 3HB PRO 70 15.491 20.851 9.121 573 HG2 PRO 70 2HG PRO 70 13.085 19.944 10.653 574 HG3 PRO 70 3HG PRO 70 13.253 21.318 9.545 575 HD2 PRO 70 2HD PRO 70 12.118 18.975 8.799 576 HD3 PRO 70 3HD PRO 70 13.034 19.995 7.671 577 H GLU 71 H GLU 71 13.458 17.975 10.926 578 HA GLU 71 HA GLU 71 14.963 17.113 13.125 579 HB2 GLU 71 2HB GLU 71 12.151 16.747 12.214 580 HB3 GLU 71 3HB GLU 71 12.741 15.688 13.487 581 HG2 GLU 71 2HG GLU 71 13.318 17.617 14.848 582 HG3 GLU 71 3HG GLU 71 12.773 18.697 13.566 583 H ALA 72 H ALA 72 13.901 15.436 10.236 584 HA ALA 72 HA ALA 72 14.243 12.795 10.945 585 HB1 ALA 72 1HB ALA 72 13.497 12.788 8.834 586 HB2 ALA 72 2HB ALA 72 14.289 14.316 8.446 587 HB3 ALA 72 3HB ALA 72 15.205 12.810 8.392 588 H ARG 73 H ARG 73 16.713 15.074 9.791 589 HA ARG 73 HA ARG 73 18.886 13.388 9.626 590 HB2 ARG 73 2HB ARG 73 18.446 16.207 9.730 591 HB3 ARG 73 3HB ARG 73 19.794 15.819 10.790 592 HG2 ARG 73 2HG ARG 73 20.049 14.401 8.308 593 HG3 ARG 73 3HG ARG 73 19.837 16.128 8.015 594 HD2 ARG 73 2HD ARG 73 21.898 14.846 9.804 595 HD3 ARG 73 3HD ARG 73 22.192 15.597 8.236 596 HE ARG 73 HE ARG 73 20.968 17.388 10.097 597 HH11 ARG 73 1HH1 ARG 73 23.996 15.990 9.101 598 HH12 ARG 73 2HH1 ARG 73 24.950 17.306 9.699 599 HH21 ARG 73 2HH2 ARG 73 23.935 19.090 10.716 600 HH22 ARG 73 1HH2 ARG 73 22.213 19.128 10.888 601 H GLU 74 H GLU 74 18.034 15.374 12.470 602 HA GLU 74 HA GLU 74 19.920 14.204 14.192 603 HB2 GLU 74 2HB GLU 74 18.326 16.349 14.387 604 HB3 GLU 74 3HB GLU 74 17.379 15.221 15.348 605 HG2 GLU 74 2HG GLU 74 18.897 16.576 16.711 606 HG3 GLU 74 3HG GLU 74 19.241 14.852 16.831 607 H TRP 75 H TRP 75 16.719 13.232 13.236 608 HA TRP 75 HA TRP 75 15.966 11.541 15.280 609 HB2 TRP 75 2HB TRP 75 14.821 12.161 12.985 610 HB3 TRP 75 3HB TRP 75 15.553 10.649 12.455 611 HD1 TRP 75 HD1 TRP 75 14.994 8.578 14.501 612 HE1 TRP 75 HE1 TRP 75 12.636 7.967 15.331 613 HE3 TRP 75 HE3 TRP 75 12.543 12.877 13.218 614 HZ2 TRP 75 HZ2 TRP 75 10.075 9.150 15.428 615 HZ3 TRP 75 HZ3 TRP 75 10.140 13.057 13.714 616 HH2 TRP 75 HH2 TRP 75 8.933 11.231 14.796 617 H TYR 76 H TYR 76 18.374 11.049 12.792 618 HA TYR 76 HA TYR 76 19.066 8.479 14.054 619 HB2 TYR 76 2HB TYR 76 18.019 8.202 11.792 620 HB3 TYR 76 3HB TYR 76 19.365 9.110 11.112 621 HD1 TYR 76 HD1 TYR 76 19.342 6.469 13.744 622 HD2 TYR 76 HD2 TYR 76 20.571 7.594 9.829 623 HE1 TYR 76 HE1 TYR 76 20.646 4.391 13.563 624 HE2 TYR 76 HE2 TYR 76 21.877 5.519 9.637 625 HH TYR 76 HH TYR 76 22.046 3.198 12.320 626 H ASN 77 H ASN 77 20.007 11.542 13.741 627 HA ASN 77 HA ASN 77 21.979 12.683 13.810 628 HB2 ASN 77 2HB ASN 77 22.330 11.636 15.898 629 HB3 ASN 77 3HB ASN 77 22.685 10.081 15.152 630 HD21 ASN 77 2HD2 ASN 77 25.556 12.999 14.985 631 HD22 ASN 77 1HD2 ASN 77 23.882 13.415 14.883 632 H ILE 78 H ILE 78 22.288 12.861 11.568 633 HA ILE 78 HA ILE 78 24.075 10.888 10.332 634 HB ILE 78 HB ILE 78 22.305 13.012 9.134 635 HG12 ILE 78 2HG1 ILE 78 22.081 10.363 8.024 636 HG13 ILE 78 3HG1 ILE 78 21.924 10.292 9.776 637 HG21 ILE 78 1HG2 ILE 78 23.128 12.129 6.927 638 HG22 ILE 78 2HG2 ILE 78 24.289 13.094 7.836 639 HG23 ILE 78 3HG2 ILE 78 24.428 11.336 7.816 640 HD11 ILE 78 3HD1 ILE 78 19.946 10.921 7.943 641 HD12 ILE 78 1HD1 ILE 78 19.872 11.117 9.694 642 HD13 ILE 78 2HD1 ILE 78 20.381 12.464 8.676 643 H THR 79 H THR 79 26.135 11.351 9.906 644 HA THR 79 HA THR 79 27.050 14.109 10.355 645 HB THR 79 HB THR 79 29.362 12.849 10.383 646 HG1 THR 79 HG1 THR 79 29.129 10.721 11.168 647 HG21 THR 79 3HG2 THR 79 27.972 14.001 12.273 648 HG22 THR 79 1HG2 THR 79 29.310 12.933 12.694 649 HG23 THR 79 2HG2 THR 79 27.650 12.344 12.783 650 H SER 80 H SER 80 26.913 11.536 8.023 651 HA SER 80 HA SER 80 28.654 13.001 6.180 652 HB2 SER 80 2HB SER 80 27.743 10.672 4.911 653 HB3 SER 80 3HB SER 80 29.323 10.925 5.654 654 HG SER 80 HG SER 80 26.996 9.881 6.902 655 H VAL 81 H VAL 81 27.364 14.692 5.513 656 HA VAL 81 HA VAL 81 24.761 14.914 4.944 657 HB VAL 81 HB VAL 81 26.151 15.954 2.644 658 HG11 VAL 81 1HG1 VAL 81 24.083 16.743 4.042 659 HG12 VAL 81 2HG1 VAL 81 25.305 17.607 4.978 660 HG13 VAL 81 3HG1 VAL 81 25.130 17.921 3.251 661 HG21 VAL 81 3HG2 VAL 81 27.803 17.339 3.764 662 HG22 VAL 81 1HG2 VAL 81 27.409 16.590 5.311 663 HG23 VAL 81 2HG2 VAL 81 28.157 15.633 4.033 664 HA PRO 82 HA PRO 82 25.147 12.878 0.577 665 HB2 PRO 82 2HB PRO 82 27.469 11.594 0.003 666 HB3 PRO 82 3HB PRO 82 27.209 13.307 -0.342 667 HG2 PRO 82 2HG PRO 82 28.644 12.035 1.957 668 HG3 PRO 82 3HG PRO 82 29.110 13.446 0.990 669 HD2 PRO 82 2HD PRO 82 27.974 13.668 3.438 670 HD3 PRO 82 3HD PRO 82 27.709 14.861 2.151 671 H THR 83 H THR 83 23.773 11.616 2.147 672 HA THR 83 HA THR 83 24.874 8.975 2.785 673 HB THR 83 HB THR 83 22.216 9.102 3.689 674 HG1 THR 83 HG1 THR 83 22.673 11.113 5.076 675 HG21 THR 83 3HG2 THR 83 24.642 9.698 5.365 676 HG22 THR 83 1HG2 THR 83 24.320 8.089 4.720 677 HG23 THR 83 2HG2 THR 83 23.172 8.841 5.829 678 H PHE 84 H PHE 84 23.530 7.068 2.366 679 HA PHE 84 HA PHE 84 21.660 7.354 0.132 680 HB2 PHE 84 2HB PHE 84 24.274 5.943 0.087 681 HB3 PHE 84 3HB PHE 84 22.919 5.129 -0.689 682 HD1 PHE 84 HD1 PHE 84 22.498 5.572 -2.903 683 HD2 PHE 84 HD2 PHE 84 24.556 8.477 -0.570 684 HE1 PHE 84 HE1 PHE 84 22.819 6.954 -4.913 685 HE2 PHE 84 HE2 PHE 84 24.879 9.864 -2.576 686 HZ PHE 84 HZ PHE 84 24.010 9.104 -4.751 687 H VAL 85 H VAL 85 19.836 6.463 0.816 688 HA VAL 85 HA VAL 85 19.975 4.099 2.563 689 HB VAL 85 HB VAL 85 17.598 5.910 2.141 690 HG11 VAL 85 1HG1 VAL 85 16.562 4.772 3.886 691 HG12 VAL 85 2HG1 VAL 85 17.356 3.483 2.980 692 HG13 VAL 85 3HG1 VAL 85 18.078 4.089 4.471 693 HG21 VAL 85 3HG2 VAL 85 19.574 5.931 4.420 694 HG22 VAL 85 1HG2 VAL 85 19.494 7.134 3.133 695 HG23 VAL 85 2HG2 VAL 85 18.147 6.954 4.257 696 H ILE 86 H ILE 86 19.157 2.199 1.914 697 HA ILE 86 HA ILE 86 17.820 2.124 -0.708 698 HB ILE 86 HB ILE 86 19.029 -0.298 0.569 699 HG12 ILE 86 2HG1 ILE 86 20.539 1.755 -1.062 700 HG13 ILE 86 3HG1 ILE 86 20.768 1.447 0.655 701 HG21 ILE 86 1HG2 ILE 86 18.344 -1.195 -1.341 702 HG22 ILE 86 2HG2 ILE 86 17.824 0.381 -1.934 703 HG23 ILE 86 3HG2 ILE 86 19.481 -0.159 -2.203 704 HD11 ILE 86 3HD1 ILE 86 21.709 -0.062 -1.685 705 HD12 ILE 86 1HD1 ILE 86 22.445 0.158 -0.097 706 HD13 ILE 86 2HD1 ILE 86 21.155 -1.025 -0.316 707 H GLU 87 H GLU 87 15.785 1.426 -0.842 708 HA GLU 87 HA GLU 87 14.650 -0.006 1.470 709 HB2 GLU 87 2HB GLU 87 12.475 1.117 0.875 710 HB3 GLU 87 3HB GLU 87 13.716 2.184 1.515 711 HG2 GLU 87 2HG GLU 87 14.208 3.033 -0.662 712 HG3 GLU 87 3HG GLU 87 13.157 1.837 -1.419 713 H LYS 88 H LYS 88 12.839 -1.415 0.984 714 HA LYS 88 HA LYS 88 12.151 -2.096 -1.688 715 HB2 LYS 88 2HB LYS 88 14.554 -3.073 -1.203 716 HB3 LYS 88 3HB LYS 88 13.645 -4.316 -0.355 717 HG2 LYS 88 2HG LYS 88 12.924 -3.582 -3.159 718 HG3 LYS 88 3HG LYS 88 14.282 -4.664 -2.837 719 HD2 LYS 88 2HD LYS 88 12.887 -6.257 -1.786 720 HD3 LYS 88 3HD LYS 88 11.541 -5.120 -1.681 721 HE2 LYS 88 2HE LYS 88 12.486 -5.545 -4.408 722 HE3 LYS 88 3HE LYS 88 11.904 -7.020 -3.637 723 HZ1 LYS 88 3HZ LYS 88 10.254 -5.499 -4.888 724 HZ2 LYS 88 1HZ LYS 88 10.298 -4.560 -3.481 725 HZ3 LYS 88 2HZ LYS 88 9.793 -6.172 -3.406 726 H GLY 89 H GLY 89 10.103 -2.709 -1.516 727 HA2 GLY 89 2HA GLY 89 8.302 -4.013 -0.831 728 HA3 GLY 89 3HA GLY 89 9.321 -4.720 0.414 729 H GLY 90 H GLY 90 9.830 -1.555 0.814 730 HA2 GLY 90 2HA GLY 90 8.544 0.155 1.884 731 HA3 GLY 90 3HA GLY 90 7.402 -1.077 2.402 732 H GLU 91 H GLU 91 10.925 -1.165 2.682 733 HA GLU 91 HA GLU 91 10.996 -0.408 5.420 734 HB2 GLU 91 2HB GLU 91 11.694 -2.685 6.274 735 HB3 GLU 91 3HB GLU 91 9.985 -2.495 5.913 736 HG2 GLU 91 2HG GLU 91 10.079 -3.863 4.069 737 HG3 GLU 91 3HG GLU 91 11.806 -3.599 3.830 738 HA PRO 92 HA PRO 92 15.247 0.077 4.437 739 HB2 PRO 92 2HB PRO 92 16.373 -0.107 6.900 740 HB3 PRO 92 3HB PRO 92 15.430 1.293 6.378 741 HG2 PRO 92 2HG PRO 92 14.593 -1.032 8.068 742 HG3 PRO 92 3HG PRO 92 14.243 0.693 8.286 743 HD2 PRO 92 2HD PRO 92 12.450 -1.034 7.220 744 HD3 PRO 92 3HD PRO 92 12.538 0.672 6.735 745 H LEU 93 H LEU 93 16.643 -1.298 3.546 746 HA LEU 93 HA LEU 93 17.033 -3.929 4.814 747 HB2 LEU 93 2HB LEU 93 15.874 -3.632 2.456 748 HB3 LEU 93 3HB LEU 93 17.547 -3.536 1.911 749 HG LEU 93 HG LEU 93 17.948 -5.762 2.957 750 HD11 LEU 93 1HD1 LEU 93 16.392 -6.894 4.107 751 HD12 LEU 93 2HD1 LEU 93 15.085 -6.390 3.036 752 HD13 LEU 93 3HD1 LEU 93 15.641 -5.312 4.315 753 HD21 LEU 93 3HD2 LEU 93 16.967 -5.170 0.518 754 HD22 LEU 93 1HD2 LEU 93 15.707 -6.255 1.108 755 HD23 LEU 93 2HD2 LEU 93 17.382 -6.804 1.039 756 H GLY 94 H GLY 94 18.510 -1.165 3.274 757 HA2 GLY 94 2HA GLY 94 21.072 -1.905 4.421 758 HA3 GLY 94 3HA GLY 94 21.033 -1.843 2.665 759 H GLU 95 H GLU 95 22.760 -0.216 3.963 760 HA GLU 95 HA GLU 95 21.956 2.357 3.054 761 HB2 GLU 95 2HB GLU 95 21.868 3.566 5.101 762 HB3 GLU 95 3HB GLU 95 20.782 2.196 5.279 763 HG2 GLU 95 2HG GLU 95 22.873 1.051 6.343 764 HG3 GLU 95 3HG GLU 95 23.409 2.713 6.580 765 H VAL 96 H VAL 96 23.681 3.801 2.902 766 HA VAL 96 HA VAL 96 26.296 2.790 3.801 767 HB VAL 96 HB VAL 96 25.744 4.050 1.111 768 HG11 VAL 96 1HG1 VAL 96 27.904 4.669 1.436 769 HG12 VAL 96 2HG1 VAL 96 28.218 3.375 2.594 770 HG13 VAL 96 3HG1 VAL 96 28.193 3.026 0.865 771 HG21 VAL 96 3HG2 VAL 96 24.892 1.749 1.287 772 HG22 VAL 96 1HG2 VAL 96 26.251 1.870 0.169 773 HG23 VAL 96 2HG2 VAL 96 26.494 1.205 1.785 774 H LYS 97 H LYS 97 27.844 4.344 4.322 775 HA LYS 97 HA LYS 97 26.893 7.130 4.402 776 HB2 LYS 97 2HB LYS 97 28.570 5.904 6.582 777 HB3 LYS 97 3HB LYS 97 27.690 7.426 6.612 778 HG2 LYS 97 2HG LYS 97 26.056 6.352 7.652 779 HG3 LYS 97 3HG LYS 97 25.742 5.503 6.137 780 HD2 LYS 97 2HD LYS 97 26.001 3.867 7.864 781 HD3 LYS 97 3HD LYS 97 27.430 3.798 6.830 782 HE2 LYS 97 2HE LYS 97 27.851 5.690 8.940 783 HE3 LYS 97 3HE LYS 97 27.323 4.153 9.621 784 HZ1 LYS 97 3HZ LYS 97 29.163 3.461 7.726 785 HZ2 LYS 97 1HZ LYS 97 29.423 3.511 9.397 786 HZ3 LYS 97 2HZ LYS 97 29.828 4.844 8.438 787 H GLY 98 H GLY 98 28.126 7.970 2.792 788 HA2 GLY 98 2HA GLY 98 30.463 9.079 2.920 789 HA3 GLY 98 3HA GLY 98 31.013 7.413 2.822 790 HA PRO 99 HA PRO 99 30.044 9.404 -1.432 791 HB2 PRO 99 2HB PRO 99 32.523 10.267 -2.124 792 HB3 PRO 99 3HB PRO 99 31.347 11.292 -1.293 793 HG2 PRO 99 2HG PRO 99 33.663 9.768 -0.165 794 HG3 PRO 99 3HG PRO 99 33.122 11.416 0.204 795 HD2 PRO 99 2HD PRO 99 32.557 9.305 1.803 796 HD3 PRO 99 3HD PRO 99 31.457 10.687 1.622 797 H ASP 100 H ASP 100 29.757 7.336 -2.216 798 HA ASP 100 HA ASP 100 32.137 6.091 -3.360 799 HB2 ASP 100 2HB ASP 100 31.515 3.866 -2.582 800 HB3 ASP 100 3HB ASP 100 31.756 4.942 -1.208 801 H ILE 101 H ILE 101 30.546 7.504 -4.898 802 HA ILE 101 HA ILE 101 28.228 6.312 -5.913 803 HB ILE 101 HB ILE 101 30.222 8.156 -7.221 804 HG12 ILE 101 2HG1 ILE 101 28.912 9.059 -5.325 805 HG13 ILE 101 3HG1 ILE 101 28.513 9.851 -6.846 806 HG21 ILE 101 1HG2 ILE 101 27.888 6.754 -8.353 807 HG22 ILE 101 2HG2 ILE 101 28.009 8.476 -8.713 808 HG23 ILE 101 3HG2 ILE 101 29.329 7.390 -9.148 809 HD11 ILE 101 3HD1 ILE 101 26.900 7.798 -5.363 810 HD12 ILE 101 1HD1 ILE 101 26.487 9.483 -5.682 811 HD13 ILE 101 2HD1 ILE 101 26.538 8.321 -7.008 812 H ASP 102 H ASP 102 31.593 5.647 -6.497 813 HA ASP 102 HA ASP 102 31.128 4.072 -8.864 814 HB2 ASP 102 2HB ASP 102 33.570 4.359 -7.101 815 HB3 ASP 102 3HB ASP 102 33.530 3.462 -8.617 816 H LYS 103 H LYS 103 31.948 3.396 -5.474 817 HA LYS 103 HA LYS 103 31.901 0.566 -5.785 818 HB2 LYS 103 2HB LYS 103 32.929 2.142 -3.902 819 HB3 LYS 103 3HB LYS 103 31.383 1.816 -3.129 820 HG2 LYS 103 2HG LYS 103 31.805 -0.541 -3.139 821 HG3 LYS 103 3HG LYS 103 33.267 -0.320 -4.102 822 HD2 LYS 103 2HD LYS 103 33.525 1.340 -1.837 823 HD3 LYS 103 3HD LYS 103 32.944 -0.224 -1.258 824 HE2 LYS 103 2HE LYS 103 34.858 -1.290 -1.820 825 HE3 LYS 103 3HE LYS 103 35.102 -0.311 -3.266 826 HZ1 LYS 103 3HZ LYS 103 36.808 0.113 -1.611 827 HZ2 LYS 103 1HZ LYS 103 35.634 0.565 -0.478 828 HZ3 LYS 103 2HZ LYS 103 35.874 1.500 -1.867 829 H LEU 104 H LEU 104 29.470 2.939 -5.452 830 HA LEU 104 HA LEU 104 27.455 1.632 -4.076 831 HB2 LEU 104 2HB LEU 104 27.374 3.973 -4.862 832 HB3 LEU 104 3HB LEU 104 27.134 3.387 -6.507 833 HG LEU 104 HG LEU 104 25.072 2.175 -5.230 834 HD11 LEU 104 1HD1 LEU 104 24.028 3.981 -3.838 835 HD12 LEU 104 2HD1 LEU 104 25.600 4.778 -3.816 836 HD13 LEU 104 3HD1 LEU 104 25.415 3.176 -3.104 837 HD21 LEU 104 3HD2 LEU 104 24.559 4.954 -6.085 838 HD22 LEU 104 1HD2 LEU 104 23.794 3.448 -6.591 839 HD23 LEU 104 2HD2 LEU 104 25.361 3.908 -7.258 840 H ARG 105 H ARG 105 28.656 1.092 -7.300 841 HA ARG 105 HA ARG 105 26.515 -0.306 -8.415 842 HB2 ARG 105 2HB ARG 105 29.456 -0.833 -8.872 843 HB3 ARG 105 3HB ARG 105 28.136 -1.268 -9.950 844 HG2 ARG 105 2HG ARG 105 27.626 1.174 -10.165 845 HG3 ARG 105 3HG ARG 105 29.115 1.493 -9.274 846 HD2 ARG 105 2HD ARG 105 29.672 -0.360 -11.369 847 HD3 ARG 105 3HD ARG 105 28.790 1.009 -12.044 848 HE ARG 105 HE ARG 105 30.603 2.360 -11.619 849 HH11 ARG 105 1HH1 ARG 105 31.018 -0.708 -10.026 850 HH12 ARG 105 2HH1 ARG 105 32.674 -0.414 -9.608 851 HH21 ARG 105 2HH2 ARG 105 33.676 1.558 -10.204 852 HH22 ARG 105 1HH2 ARG 105 32.782 2.758 -11.075 853 H GLU 106 H GLU 106 29.122 -1.397 -6.304 854 HA GLU 106 HA GLU 106 28.065 -4.121 -6.336 855 HB2 GLU 106 2HB GLU 106 30.078 -4.665 -4.988 856 HB3 GLU 106 3HB GLU 106 30.461 -3.945 -6.546 857 HG2 GLU 106 2HG GLU 106 30.913 -1.822 -5.509 858 HG3 GLU 106 3HG GLU 106 30.392 -2.439 -3.942 859 H THR 107 H THR 107 28.454 -1.358 -4.209 860 HA THR 107 HA THR 107 27.789 -2.578 -1.775 861 HB THR 107 HB THR 107 27.001 0.249 -2.438 862 HG1 THR 107 HG1 THR 107 29.046 0.800 -2.598 863 HG21 THR 107 3HG2 THR 107 26.386 -0.166 -0.254 864 HG22 THR 107 1HG2 THR 107 28.027 0.439 -0.032 865 HG23 THR 107 2HG2 THR 107 27.713 -1.296 0.017 866 H LEU 108 H LEU 108 25.815 -1.520 -4.441 867 HA LEU 108 HA LEU 108 23.348 -1.707 -2.936 868 HB2 LEU 108 2HB LEU 108 22.355 -0.674 -4.680 869 HB3 LEU 108 3HB LEU 108 24.016 -0.199 -5.026 870 HG LEU 108 HG LEU 108 23.948 -2.428 -6.472 871 HD11 LEU 108 1HD1 LEU 108 21.190 -1.544 -7.052 872 HD12 LEU 108 2HD1 LEU 108 21.420 -2.525 -5.605 873 HD13 LEU 108 3HD1 LEU 108 21.924 -3.143 -7.178 874 HD21 LEU 108 3HD2 LEU 108 22.687 -0.593 -8.154 875 HD22 LEU 108 1HD2 LEU 108 24.421 -0.817 -7.926 876 HD23 LEU 108 2HD2 LEU 108 23.553 0.383 -6.967 877 H ASP 109 H ASP 109 25.318 -3.725 -4.923 878 HA ASP 109 HA ASP 109 23.273 -5.605 -5.623 879 HB2 ASP 109 2HB ASP 109 25.020 -5.727 -7.122 880 HB3 ASP 109 3HB ASP 109 26.244 -5.480 -5.879 881 H GLU 110 H GLU 110 25.886 -5.539 -3.217 882 HA GLU 110 HA GLU 110 25.513 -8.054 -2.108 883 HB2 GLU 110 2HB GLU 110 26.294 -5.538 -0.627 884 HB3 GLU 110 3HB GLU 110 26.613 -7.189 -0.114 885 HG2 GLU 110 2HG GLU 110 27.631 -6.457 -2.776 886 HG3 GLU 110 3HG GLU 110 28.390 -5.646 -1.407 887 H LEU 111 H LEU 111 23.549 -5.234 -1.869 888 HA LEU 111 HA LEU 111 22.033 -6.353 0.375 889 HB2 LEU 111 2HB LEU 111 22.584 -4.062 0.678 890 HB3 LEU 111 3HB LEU 111 22.034 -3.650 -0.945 891 HG LEU 111 HG LEU 111 20.584 -3.005 1.103 892 HD11 LEU 111 1HD1 LEU 111 19.021 -4.449 -0.978 893 HD12 LEU 111 2HD1 LEU 111 20.056 -3.107 -1.465 894 HD13 LEU 111 3HD1 LEU 111 18.771 -2.846 -0.286 895 HD21 LEU 111 3HD2 LEU 111 20.734 -5.597 1.738 896 HD22 LEU 111 1HD2 LEU 111 19.273 -5.632 0.751 897 HD23 LEU 111 2HD2 LEU 111 19.355 -4.583 2.166 898 H LEU 112 H LEU 112 21.436 -4.947 -2.847 899 HA LEU 112 HA LEU 112 18.741 -5.609 -3.047 900 HB2 LEU 112 2HB LEU 112 20.154 -4.142 -4.573 901 HB3 LEU 112 3HB LEU 112 20.648 -5.635 -5.370 902 HG LEU 112 HG LEU 112 18.341 -6.070 -6.019 903 HD11 LEU 112 1HD1 LEU 112 17.131 -5.109 -4.198 904 HD12 LEU 112 2HD1 LEU 112 16.644 -4.276 -5.674 905 HD13 LEU 112 3HD1 LEU 112 17.765 -3.502 -4.553 906 HD21 LEU 112 3HD2 LEU 112 18.178 -4.449 -7.721 907 HD22 LEU 112 1HD2 LEU 112 19.901 -4.602 -7.378 908 HD23 LEU 112 2HD2 LEU 112 18.996 -3.227 -6.746 909 H ALA 113 H ALA 113 21.545 -7.604 -3.285 910 HA ALA 113 HA ALA 113 20.393 -9.738 -4.773 911 HB1 ALA 113 1HB ALA 113 22.804 -9.535 -2.994 912 HB2 ALA 113 2HB ALA 113 22.322 -11.052 -3.755 913 HB3 ALA 113 3HB ALA 113 22.739 -9.659 -4.752 914 H ARG 114 H ARG 114 20.493 -8.895 -1.375 915 HA ARG 114 HA ARG 114 19.793 -11.323 -0.221 916 HB2 ARG 114 2HB ARG 114 20.447 -9.284 1.034 917 HB3 ARG 114 3HB ARG 114 18.884 -8.575 0.651 918 HG2 ARG 114 2HG ARG 114 18.232 -9.413 2.610 919 HG3 ARG 114 3HG ARG 114 18.168 -10.962 1.767 920 HD2 ARG 114 2HD ARG 114 20.850 -10.580 2.507 921 HD3 ARG 114 3HD ARG 114 19.884 -10.124 3.910 922 HE ARG 114 HE ARG 114 20.227 -12.762 2.825 923 HH11 ARG 114 1HH1 ARG 114 18.154 -10.689 4.702 924 HH12 ARG 114 2HH1 ARG 114 17.396 -11.997 5.550 925 HH21 ARG 114 2HH2 ARG 114 18.014 -14.159 5.113 926 HH22 ARG 114 1HH2 ARG 114 19.238 -14.492 3.934 927 H LEU 115 H LEU 115 17.567 -8.666 -1.076 928 HA LEU 115 HA LEU 115 15.302 -10.468 -0.893 929 HB2 LEU 115 2HB LEU 115 15.737 -7.612 -0.834 930 HB3 LEU 115 3HB LEU 115 14.430 -8.036 -1.938 931 HG LEU 115 HG LEU 115 13.645 -7.468 0.333 932 HD11 LEU 115 1HD1 LEU 115 12.716 -9.371 -1.309 933 HD12 LEU 115 2HD1 LEU 115 11.955 -8.962 0.228 934 HD13 LEU 115 3HD1 LEU 115 13.038 -10.350 0.122 935 HD21 LEU 115 3HD2 LEU 115 14.837 -10.047 1.286 936 HD22 LEU 115 1HD2 LEU 115 14.187 -8.704 2.227 937 HD23 LEU 115 2HD2 LEU 115 15.734 -8.532 1.398 938 H GLU 116 H GLU 116 16.362 -8.145 -3.388 939 HA GLU 116 HA GLU 116 14.972 -9.648 -5.429 940 HB2 GLU 116 2HB GLU 116 15.616 -6.988 -5.120 941 HB3 GLU 116 3HB GLU 116 16.769 -7.522 -6.335 942 HG2 GLU 116 2HG GLU 116 13.943 -8.315 -6.707 943 HG3 GLU 116 3HG GLU 116 14.351 -6.618 -6.948 Start of MODEL 8 1 H1 MET 1 H MET 1 2.441 0.601 -1.743 2 HA MET 1 HA MET 1 1.054 2.209 -2.655 3 HB2 MET 1 2HB MET 1 2.173 4.327 -2.792 4 HB3 MET 1 3HB MET 1 2.936 3.391 -1.514 5 HG2 MET 1 2HG MET 1 4.869 3.887 -2.474 6 HG3 MET 1 3HG MET 1 4.418 2.756 -3.747 7 HE1 MET 1 3HE MET 1 6.243 5.780 -3.638 8 HE2 MET 1 1HE MET 1 6.419 4.442 -4.774 9 HE3 MET 1 2HE MET 1 6.058 6.062 -5.370 10 H ALA 2 H ALA 2 3.587 1.052 -4.714 11 HA ALA 2 HA ALA 2 1.914 1.271 -7.028 12 HB1 ALA 2 1HB ALA 2 2.941 2.912 -8.240 13 HB2 ALA 2 2HB ALA 2 3.136 3.571 -6.615 14 HB3 ALA 2 3HB ALA 2 4.478 2.732 -7.393 15 H ARG 3 H ARG 3 3.581 0.862 -9.062 16 HA ARG 3 HA ARG 3 5.773 -0.854 -8.531 17 HB2 ARG 3 2HB ARG 3 3.797 -2.291 -7.851 18 HB3 ARG 3 3HB ARG 3 3.310 -2.274 -9.541 19 HG2 ARG 3 2HG ARG 3 6.067 -3.016 -9.346 20 HG3 ARG 3 3HG ARG 3 5.094 -4.027 -8.275 21 HD2 ARG 3 2HD ARG 3 4.260 -3.515 -11.109 22 HD3 ARG 3 3HD ARG 3 5.428 -4.777 -10.718 23 HE ARG 3 HE ARG 3 3.199 -5.105 -9.065 24 HH11 ARG 3 1HH1 ARG 3 4.051 -5.324 -12.433 25 HH12 ARG 3 2HH1 ARG 3 2.858 -6.529 -12.791 26 HH21 ARG 3 2HH2 ARG 3 1.478 -7.305 -11.135 27 HH22 ARG 3 1HH2 ARG 3 1.625 -6.691 -9.523 28 HA PRO 4 HA PRO 4 5.408 0.974 -12.785 29 HB2 PRO 4 2HB PRO 4 7.883 2.091 -12.770 30 HB3 PRO 4 3HB PRO 4 6.456 2.909 -12.123 31 HG2 PRO 4 2HG PRO 4 8.600 1.407 -10.671 32 HG3 PRO 4 3HG PRO 4 7.831 2.948 -10.248 33 HD2 PRO 4 2HD PRO 4 7.133 0.605 -9.085 34 HD3 PRO 4 3HD PRO 4 5.971 1.920 -9.356 35 H SER 5 H SER 5 7.350 0.872 -14.493 36 HA SER 5 HA SER 5 9.268 -1.158 -14.310 37 HB2 SER 5 2HB SER 5 7.673 -2.858 -14.231 38 HB3 SER 5 3HB SER 5 6.566 -2.006 -15.308 39 HG SER 5 HG SER 5 7.519 -3.653 -16.464 40 H ASN 6 H ASN 6 10.628 0.022 -15.527 41 HA ASN 6 HA ASN 6 10.226 0.105 -18.359 42 HB2 ASN 6 2HB ASN 6 9.760 2.531 -16.722 43 HB3 ASN 6 3HB ASN 6 10.747 2.747 -18.165 44 HD21 ASN 6 2HD2 ASN 6 6.791 2.520 -18.453 45 HD22 ASN 6 1HD2 ASN 6 7.658 2.696 -16.969 46 H VAL 7 H VAL 7 12.107 1.418 -19.398 47 HA VAL 7 HA VAL 7 14.548 0.788 -17.873 48 HB VAL 7 HB VAL 7 15.677 0.690 -20.106 49 HG11 VAL 7 1HG1 VAL 7 15.043 -1.536 -20.542 50 HG12 VAL 7 2HG1 VAL 7 14.755 -1.295 -18.817 51 HG13 VAL 7 3HG1 VAL 7 13.403 -1.269 -19.950 52 HG21 VAL 7 3HG2 VAL 7 12.844 0.795 -21.141 53 HG22 VAL 7 1HG2 VAL 7 14.082 2.029 -21.372 54 HG23 VAL 7 2HG2 VAL 7 14.278 0.437 -22.103 55 H LYS 8 H LYS 8 13.174 3.246 -17.517 56 HA LYS 8 HA LYS 8 15.268 5.084 -18.421 57 HB2 LYS 8 2HB LYS 8 12.353 5.280 -18.990 58 HB3 LYS 8 3HB LYS 8 13.201 6.767 -18.588 59 HG2 LYS 8 2HG LYS 8 13.899 6.912 -20.679 60 HG3 LYS 8 3HG LYS 8 14.784 5.398 -20.480 61 HD2 LYS 8 2HD LYS 8 13.108 4.138 -21.434 62 HD3 LYS 8 3HD LYS 8 11.851 5.308 -21.024 63 HE2 LYS 8 2HE LYS 8 13.492 6.728 -22.712 64 HE3 LYS 8 3HE LYS 8 13.528 5.107 -23.404 65 HZ1 LYS 8 3HZ LYS 8 11.312 5.160 -23.882 66 HZ2 LYS 8 1HZ LYS 8 11.676 6.802 -24.064 67 HZ3 LYS 8 2HZ LYS 8 10.937 6.251 -22.645 68 HA PRO 9 HA PRO 9 15.186 6.682 -14.336 69 HB2 PRO 9 2HB PRO 9 15.607 9.334 -14.732 70 HB3 PRO 9 3HB PRO 9 16.867 8.116 -14.962 71 HG2 PRO 9 2HG PRO 9 15.139 9.461 -17.003 72 HG3 PRO 9 3HG PRO 9 16.876 9.110 -17.064 73 HD2 PRO 9 2HD PRO 9 15.035 7.582 -18.332 74 HD3 PRO 9 3HD PRO 9 16.538 6.911 -17.666 75 H SER 10 H SER 10 13.953 7.825 -12.801 76 HA SER 10 HA SER 10 11.799 9.544 -13.532 77 HB2 SER 10 2HB SER 10 11.274 6.647 -13.156 78 HB3 SER 10 3HB SER 10 10.151 7.758 -12.373 79 HG SER 10 HG SER 10 9.340 7.488 -14.378 80 HA PRO 11 HA PRO 11 13.428 9.732 -9.163 81 HB2 PRO 11 2HB PRO 11 14.119 12.356 -9.267 82 HB3 PRO 11 3HB PRO 11 15.207 11.055 -9.765 83 HG2 PRO 11 2HG PRO 11 13.485 12.832 -11.449 84 HG3 PRO 11 3HG PRO 11 15.159 12.314 -11.720 85 HD2 PRO 11 2HD PRO 11 13.056 11.168 -12.984 86 HD3 PRO 11 3HD PRO 11 14.521 10.262 -12.554 87 H HIS 12 H HIS 12 11.972 10.070 -7.612 88 HA HIS 12 HA HIS 12 9.895 12.115 -8.054 89 HB2 HIS 12 2HB HIS 12 9.712 9.301 -7.207 90 HB3 HIS 12 3HB HIS 12 8.770 10.422 -6.228 91 HD1 HIS 12 HD1 HIS 12 8.770 8.657 -9.438 92 HD2 HIS 12 HD2 HIS 12 6.794 11.896 -7.746 93 HE1 HIS 12 HE1 HIS 12 6.774 9.070 -10.910 94 H VAL 13 H VAL 13 10.651 13.807 -6.897 95 HA VAL 13 HA VAL 13 11.886 13.453 -4.315 96 HB VAL 13 HB VAL 13 12.640 15.243 -5.820 97 HG11 VAL 13 1HG1 VAL 13 11.328 16.954 -6.591 98 HG12 VAL 13 2HG1 VAL 13 10.139 15.652 -6.534 99 HG13 VAL 13 3HG1 VAL 13 10.202 16.847 -5.238 100 HG21 VAL 13 3HG2 VAL 13 12.479 15.357 -3.164 101 HG22 VAL 13 1HG2 VAL 13 13.136 16.680 -4.129 102 HG23 VAL 13 2HG2 VAL 13 11.471 16.751 -3.551 103 H ILE 14 H ILE 14 11.050 13.982 -2.326 104 HA ILE 14 HA ILE 14 8.191 13.848 -2.077 105 HB ILE 14 HB ILE 14 8.592 13.929 0.347 106 HG12 ILE 14 2HG1 ILE 14 11.410 13.653 0.456 107 HG13 ILE 14 3HG1 ILE 14 11.075 15.097 -0.493 108 HG21 ILE 14 1HG2 ILE 14 10.669 12.017 -0.420 109 HG22 ILE 14 2HG2 ILE 14 9.121 11.752 0.379 110 HG23 ILE 14 3HG2 ILE 14 9.192 11.901 -1.376 111 HD11 ILE 14 3HD1 ILE 14 10.175 14.506 2.312 112 HD12 ILE 14 1HD1 ILE 14 11.319 15.738 1.783 113 HD13 ILE 14 2HD1 ILE 14 9.612 15.881 1.363 114 H LYS 15 H LYS 15 7.250 15.381 -0.258 115 HA LYS 15 HA LYS 15 8.203 18.101 -0.393 116 HB2 LYS 15 2HB LYS 15 5.929 18.904 -1.244 117 HB3 LYS 15 3HB LYS 15 7.032 18.217 -2.429 118 HG2 LYS 15 2HG LYS 15 5.739 16.380 -2.778 119 HG3 LYS 15 3HG LYS 15 5.086 16.389 -1.138 120 HD2 LYS 15 2HD LYS 15 3.746 18.386 -1.729 121 HD3 LYS 15 3HD LYS 15 4.345 18.265 -3.385 122 HE2 LYS 15 2HE LYS 15 3.438 15.759 -3.038 123 HE3 LYS 15 3HE LYS 15 2.347 16.622 -1.956 124 HZ1 LYS 15 3HZ LYS 15 2.292 18.177 -4.135 125 HZ2 LYS 15 1HZ LYS 15 1.175 16.946 -3.820 126 HZ3 LYS 15 2HZ LYS 15 2.489 16.654 -4.843 127 H SER 16 H SER 16 7.466 15.923 1.548 128 HA SER 16 HA SER 16 6.471 17.525 3.609 129 HB2 SER 16 2HB SER 16 4.422 16.351 1.914 130 HB3 SER 16 3HB SER 16 4.270 15.809 3.585 131 HG SER 16 HG SER 16 3.973 18.352 2.499 132 H LEU 17 H LEU 17 6.020 16.282 5.596 133 HA LEU 17 HA LEU 17 7.917 14.236 5.970 134 HB2 LEU 17 2HB LEU 17 6.598 15.896 7.617 135 HB3 LEU 17 3HB LEU 17 5.665 14.423 7.874 136 HG LEU 17 HG LEU 17 7.728 13.257 8.542 137 HD11 LEU 17 1HD1 LEU 17 9.020 15.318 7.250 138 HD12 LEU 17 2HD1 LEU 17 9.772 14.104 8.283 139 HD13 LEU 17 3HD1 LEU 17 9.302 15.664 8.956 140 HD21 LEU 17 3HD2 LEU 17 6.323 14.263 10.247 141 HD22 LEU 17 1HD2 LEU 17 7.159 15.804 10.054 142 HD23 LEU 17 2HD2 LEU 17 8.024 14.406 10.692 143 H GLU 18 H GLU 18 4.353 14.082 5.998 144 HA GLU 18 HA GLU 18 4.069 11.348 6.313 145 HB2 GLU 18 2HB GLU 18 2.394 13.548 5.603 146 HB3 GLU 18 3HB GLU 18 2.056 12.220 4.503 147 HG2 GLU 18 2HG GLU 18 1.027 11.025 6.076 148 HG3 GLU 18 3HG GLU 18 2.256 11.386 7.287 149 H GLU 19 H GLU 19 4.314 13.191 3.281 150 HA GLU 19 HA GLU 19 4.024 11.145 1.461 151 HB2 GLU 19 2HB GLU 19 4.425 13.709 1.131 152 HB3 GLU 19 3HB GLU 19 6.116 13.243 1.015 153 HG2 GLU 19 2HG GLU 19 5.238 13.372 -1.187 154 HG3 GLU 19 3HG GLU 19 5.492 11.670 -0.807 155 H LEU 20 H LEU 20 6.843 12.006 3.371 156 HA LEU 20 HA LEU 20 8.705 10.352 2.033 157 HB2 LEU 20 2HB LEU 20 8.905 12.245 3.927 158 HB3 LEU 20 3HB LEU 20 9.041 10.805 4.935 159 HG LEU 20 HG LEU 20 10.900 10.099 3.291 160 HD11 LEU 20 1HD1 LEU 20 10.120 12.520 2.094 161 HD12 LEU 20 2HD1 LEU 20 11.476 11.481 1.657 162 HD13 LEU 20 3HD1 LEU 20 11.710 12.799 2.805 163 HD21 LEU 20 3HD2 LEU 20 11.146 10.865 5.675 164 HD22 LEU 20 1HD2 LEU 20 11.454 12.483 5.044 165 HD23 LEU 20 2HD2 LEU 20 12.543 11.157 4.638 166 H ARG 21 H ARG 21 7.214 9.856 5.240 167 HA ARG 21 HA ARG 21 7.985 7.189 5.522 168 HB2 ARG 21 2HB ARG 21 7.017 8.787 7.279 169 HB3 ARG 21 3HB ARG 21 5.437 8.311 6.670 170 HG2 ARG 21 2HG ARG 21 5.922 5.982 7.222 171 HG3 ARG 21 3HG ARG 21 7.507 6.460 7.833 172 HD2 ARG 21 2HD ARG 21 6.039 6.229 9.702 173 HD3 ARG 21 3HD ARG 21 6.346 7.949 9.463 174 HE ARG 21 HE ARG 21 4.120 8.241 9.056 175 HH11 ARG 21 1HH1 ARG 21 4.897 4.869 8.669 176 HH12 ARG 21 2HH1 ARG 21 3.249 4.379 8.459 177 HH21 ARG 21 2HH2 ARG 21 1.571 5.938 8.522 178 HH22 ARG 21 1HH2 ARG 21 1.946 7.608 8.781 179 H GLU 22 H GLU 22 5.488 8.604 3.622 180 HA GLU 22 HA GLU 22 3.883 6.235 3.384 181 HB2 GLU 22 2HB GLU 22 2.900 8.463 3.104 182 HB3 GLU 22 3HB GLU 22 3.930 8.752 1.710 183 HG2 GLU 22 2HG GLU 22 2.625 7.562 0.333 184 HG3 GLU 22 3HG GLU 22 2.298 6.324 1.544 185 H ALA 23 H ALA 23 6.047 7.984 1.155 186 HA ALA 23 HA ALA 23 5.947 6.178 -0.960 187 HB1 ALA 23 1HB ALA 23 7.157 7.822 -1.829 188 HB2 ALA 23 2HB ALA 23 7.521 8.461 -0.225 189 HB3 ALA 23 3HB ALA 23 8.551 7.217 -0.933 190 H THR 24 H THR 24 7.589 5.970 2.077 191 HA THR 24 HA THR 24 9.509 4.000 1.307 192 HB THR 24 HB THR 24 9.257 3.637 3.997 193 HG1 THR 24 HG1 THR 24 7.988 5.180 4.703 194 HG21 THR 24 3HG2 THR 24 11.337 4.147 2.898 195 HG22 THR 24 1HG2 THR 24 11.093 5.311 4.199 196 HG23 THR 24 2HG2 THR 24 10.791 5.782 2.526 197 H ALA 25 H ALA 25 6.177 3.927 2.167 198 HA ALA 25 HA ALA 25 6.027 1.263 3.127 199 HB1 ALA 25 1HB ALA 25 3.619 1.471 2.747 200 HB2 ALA 25 2HB ALA 25 4.270 2.890 3.568 201 HB3 ALA 25 3HB ALA 25 3.890 2.964 1.848 202 H SER 26 H SER 26 6.339 2.614 -0.019 203 HA SER 26 HA SER 26 5.101 0.769 -1.654 204 HB2 SER 26 2HB SER 26 6.253 1.747 -3.365 205 HB3 SER 26 3HB SER 26 6.641 2.931 -2.117 206 HG SER 26 HG SER 26 8.628 2.433 -2.581 207 H ASN 27 H ASN 27 5.899 -1.065 -2.822 208 HA ASN 27 HA ASN 27 7.648 -2.727 -1.175 209 HB2 ASN 27 2HB ASN 27 6.717 -4.609 -2.294 210 HB3 ASN 27 3HB ASN 27 5.372 -3.521 -1.964 211 HD21 ASN 27 2HD2 ASN 27 5.194 -4.798 -5.455 212 HD22 ASN 27 1HD2 ASN 27 5.325 -5.538 -3.899 213 H ARG 28 H ARG 28 8.860 -0.642 -2.684 214 HA ARG 28 HA ARG 28 10.497 -2.253 -4.525 215 HB2 ARG 28 2HB ARG 28 9.808 0.659 -4.942 216 HB3 ARG 28 3HB ARG 28 10.704 -0.387 -6.036 217 HG2 ARG 28 2HG ARG 28 8.256 -1.669 -5.612 218 HG3 ARG 28 3HG ARG 28 7.875 0.041 -5.826 219 HD2 ARG 28 2HD ARG 28 7.871 -1.172 -7.957 220 HD3 ARG 28 3HD ARG 28 9.114 0.079 -7.914 221 HE ARG 28 HE ARG 28 10.077 -2.508 -7.130 222 HH11 ARG 28 1HH1 ARG 28 9.406 -0.413 -9.828 223 HH12 ARG 28 2HH1 ARG 28 10.542 -1.190 -10.881 224 HH21 ARG 28 2HH2 ARG 28 11.775 -2.968 -10.128 225 HH22 ARG 28 1HH2 ARG 28 11.576 -3.538 -8.506 226 H ILE 29 H ILE 29 12.448 -0.466 -5.131 227 HA ILE 29 HA ILE 29 13.635 0.132 -2.500 228 HB ILE 29 HB ILE 29 15.165 -0.490 -5.022 229 HG12 ILE 29 2HG1 ILE 29 13.848 -2.451 -4.378 230 HG13 ILE 29 3HG1 ILE 29 15.557 -2.723 -4.060 231 HG21 ILE 29 1HG2 ILE 29 16.522 0.730 -3.535 232 HG22 ILE 29 2HG2 ILE 29 15.923 -0.157 -2.135 233 HG23 ILE 29 3HG2 ILE 29 16.973 -0.959 -3.303 234 HD11 ILE 29 3HD1 ILE 29 15.144 -2.145 -1.684 235 HD12 ILE 29 1HD1 ILE 29 13.421 -2.062 -2.052 236 HD13 ILE 29 2HD1 ILE 29 14.290 -3.586 -2.235 237 H SER 30 H SER 30 13.656 2.244 -2.126 238 HA SER 30 HA SER 30 14.265 4.058 -4.368 239 HB2 SER 30 2HB SER 30 12.661 4.790 -1.913 240 HB3 SER 30 3HB SER 30 12.849 5.726 -3.397 241 HG SER 30 HG SER 30 11.862 3.690 -4.371 242 H VAL 31 H VAL 31 16.242 4.861 -4.197 243 HA VAL 31 HA VAL 31 17.752 4.805 -1.789 244 HB VAL 31 HB VAL 31 18.425 6.458 -4.215 245 HG11 VAL 31 1HG1 VAL 31 20.733 5.953 -3.543 246 HG12 VAL 31 2HG1 VAL 31 19.845 6.795 -2.272 247 HG13 VAL 31 3HG1 VAL 31 20.123 5.057 -2.153 248 HG21 VAL 31 3HG2 VAL 31 19.664 4.383 -4.975 249 HG22 VAL 31 1HG2 VAL 31 18.690 3.490 -3.807 250 HG23 VAL 31 2HG2 VAL 31 17.909 4.344 -5.138 251 H ILE 32 H ILE 32 17.032 6.043 -0.144 252 HA ILE 32 HA ILE 32 16.037 8.716 -0.577 253 HB ILE 32 HB ILE 32 16.658 7.369 2.052 254 HG12 ILE 32 2HG1 ILE 32 13.875 7.433 1.572 255 HG13 ILE 32 3HG1 ILE 32 14.615 6.799 0.106 256 HG21 ILE 32 1HG2 ILE 32 14.687 9.572 1.501 257 HG22 ILE 32 2HG2 ILE 32 15.284 9.004 3.059 258 HG23 ILE 32 3HG2 ILE 32 16.359 9.880 1.970 259 HD11 ILE 32 3HD1 ILE 32 14.101 5.473 2.554 260 HD12 ILE 32 1HD1 ILE 32 14.802 4.825 1.072 261 HD13 ILE 32 2HD1 ILE 32 15.846 5.525 2.309 262 H VAL 33 H VAL 33 17.623 10.068 -1.272 263 HA VAL 33 HA VAL 33 20.037 10.295 0.402 264 HB VAL 33 HB VAL 33 19.702 11.303 -2.423 265 HG11 VAL 33 1HG1 VAL 33 22.188 11.390 -2.340 266 HG12 VAL 33 2HG1 VAL 33 21.398 12.503 -1.221 267 HG13 VAL 33 3HG1 VAL 33 22.101 11.000 -0.622 268 HG21 VAL 33 3HG2 VAL 33 21.204 9.363 -3.000 269 HG22 VAL 33 1HG2 VAL 33 20.853 8.718 -1.396 270 HG23 VAL 33 2HG2 VAL 33 19.549 8.938 -2.563 271 H PHE 34 H PHE 34 20.280 12.072 1.586 272 HA PHE 34 HA PHE 34 18.459 14.321 1.118 273 HB2 PHE 34 2HB PHE 34 20.089 14.463 3.534 274 HB3 PHE 34 3HB PHE 34 18.340 14.557 3.351 275 HD1 PHE 34 HD1 PHE 34 17.050 12.386 3.100 276 HD2 PHE 34 HD2 PHE 34 21.100 12.552 4.399 277 HE1 PHE 34 HE1 PHE 34 16.827 10.137 4.072 278 HE2 PHE 34 HE2 PHE 34 20.884 10.303 5.372 279 HZ PHE 34 HZ PHE 34 18.746 9.091 5.208 280 H THR 35 H THR 35 19.197 16.100 0.184 281 HA THR 35 HA THR 35 21.954 16.950 0.643 282 HB THR 35 HB THR 35 21.611 17.546 -2.041 283 HG1 THR 35 HG1 THR 35 21.022 14.791 -1.776 284 HG21 THR 35 3HG2 THR 35 23.217 15.459 -2.245 285 HG22 THR 35 1HG2 THR 35 23.195 15.558 -0.485 286 HG23 THR 35 2HG2 THR 35 23.741 16.937 -1.439 287 H HIS 36 H HIS 36 22.317 19.175 0.300 288 HA HIS 36 HA HIS 36 19.852 20.769 0.312 289 HB2 HIS 36 2HB HIS 36 21.686 20.833 2.182 290 HB3 HIS 36 3HB HIS 36 22.541 21.873 1.046 291 HD1 HIS 36 HD1 HIS 36 19.035 21.725 2.538 292 HD2 HIS 36 HD2 HIS 36 21.953 24.472 1.442 293 HE1 HIS 36 HE1 HIS 36 18.109 23.977 3.168 294 HA PRO 37 HA PRO 37 20.799 22.296 -3.723 295 HB2 PRO 37 2HB PRO 37 19.113 24.424 -3.712 296 HB3 PRO 37 3HB PRO 37 18.555 22.757 -3.898 297 HG2 PRO 37 2HG PRO 37 18.585 24.482 -1.452 298 HG3 PRO 37 3HG PRO 37 17.313 23.395 -2.039 299 HD2 PRO 37 2HD PRO 37 19.020 22.703 -0.054 300 HD3 PRO 37 3HD PRO 37 18.354 21.519 -1.196 301 H ASP 38 H ASP 38 21.118 24.640 -4.695 302 HA ASP 38 HA ASP 38 22.613 26.351 -4.895 303 HB2 ASP 38 2HB ASP 38 21.165 27.671 -3.628 304 HB3 ASP 38 3HB ASP 38 21.441 26.737 -2.160 305 H SER 39 H SER 39 24.509 25.178 -5.173 306 HA SER 39 HA SER 39 26.561 25.643 -3.303 307 HB2 SER 39 2HB SER 39 25.290 23.743 -2.176 308 HB3 SER 39 3HB SER 39 25.834 22.719 -3.504 309 HG SER 39 HG SER 39 28.018 23.577 -2.870 310 H LYS 40 H LYS 40 27.588 26.407 -5.146 311 HA LYS 40 HA LYS 40 27.887 25.031 -7.562 312 HB2 LYS 40 2HB LYS 40 28.402 27.475 -7.067 313 HB3 LYS 40 3HB LYS 40 29.934 26.921 -6.404 314 HG2 LYS 40 2HG LYS 40 30.816 26.497 -8.434 315 HG3 LYS 40 3HG LYS 40 29.278 25.955 -9.110 316 HD2 LYS 40 2HD LYS 40 28.619 28.088 -9.672 317 HD3 LYS 40 3HD LYS 40 29.626 28.839 -8.432 318 HE2 LYS 40 2HE LYS 40 30.825 27.410 -10.783 319 HE3 LYS 40 3HE LYS 40 30.333 29.099 -10.885 320 HZ1 LYS 40 3HZ LYS 40 32.753 28.362 -10.141 321 HZ2 LYS 40 1HZ LYS 40 32.010 28.354 -8.621 322 HZ3 LYS 40 2HZ LYS 40 32.014 29.765 -9.553 323 H ARG 41 H ARG 41 30.128 25.242 -4.799 324 HA ARG 41 HA ARG 41 32.093 23.537 -5.836 325 HB2 ARG 41 2HB ARG 41 33.063 23.569 -3.713 326 HB3 ARG 41 3HB ARG 41 32.174 25.085 -3.774 327 HG2 ARG 41 2HG ARG 41 31.349 24.467 -1.799 328 HG3 ARG 41 3HG ARG 41 30.319 23.375 -2.727 329 HD2 ARG 41 2HD ARG 41 31.331 22.080 -1.014 330 HD3 ARG 41 3HD ARG 41 32.136 21.653 -2.524 331 HE ARG 41 HE ARG 41 33.550 23.721 -1.220 332 HH11 ARG 41 1HH1 ARG 41 32.886 20.311 -1.000 333 HH12 ARG 41 2HH1 ARG 41 34.374 19.940 -0.193 334 HH21 ARG 41 2HH2 ARG 41 35.867 21.611 0.285 335 HH22 ARG 41 1HH2 ARG 41 35.512 23.246 -0.159 336 H SER 42 H SER 42 28.980 22.864 -4.580 337 HA SER 42 HA SER 42 29.635 19.997 -4.395 338 HB2 SER 42 2HB SER 42 27.192 21.276 -3.177 339 HB3 SER 42 3HB SER 42 27.922 19.718 -2.789 340 HG SER 42 HG SER 42 28.551 21.098 -1.196 341 H LYS 43 H LYS 43 27.176 18.879 -4.549 342 HA LYS 43 HA LYS 43 25.582 18.156 -6.003 343 HB2 LYS 43 2HB LYS 43 25.561 21.058 -6.250 344 HB3 LYS 43 3HB LYS 43 25.050 20.263 -7.733 345 HG2 LYS 43 2HG LYS 43 23.593 18.865 -5.988 346 HG3 LYS 43 3HG LYS 43 23.741 20.376 -5.087 347 HD2 LYS 43 2HD LYS 43 21.886 20.885 -6.299 348 HD3 LYS 43 3HD LYS 43 23.106 21.387 -7.471 349 HE2 LYS 43 2HE LYS 43 22.897 19.332 -8.671 350 HE3 LYS 43 3HE LYS 43 21.879 18.636 -7.412 351 HZ1 LYS 43 3HZ LYS 43 20.155 19.368 -8.573 352 HZ2 LYS 43 1HZ LYS 43 21.138 20.252 -9.629 353 HZ3 LYS 43 2HZ LYS 43 20.610 20.950 -8.181 354 H GLU 44 H GLU 44 28.577 18.425 -6.724 355 HA GLU 44 HA GLU 44 28.519 18.456 -9.615 356 HB2 GLU 44 2HB GLU 44 30.777 17.771 -7.725 357 HB3 GLU 44 3HB GLU 44 30.928 18.033 -9.457 358 HG2 GLU 44 2HG GLU 44 29.718 20.206 -7.853 359 HG3 GLU 44 3HG GLU 44 31.448 19.923 -7.671 360 H ILE 45 H ILE 45 29.148 16.063 -7.065 361 HA ILE 45 HA ILE 45 29.544 13.876 -8.808 362 HB ILE 45 HB ILE 45 29.138 12.459 -6.817 363 HG12 ILE 45 2HG1 ILE 45 28.982 13.942 -4.633 364 HG13 ILE 45 3HG1 ILE 45 28.195 15.077 -5.723 365 HG21 ILE 45 1HG2 ILE 45 30.869 14.304 -5.502 366 HG22 ILE 45 2HG2 ILE 45 31.278 12.823 -6.365 367 HG23 ILE 45 3HG2 ILE 45 31.187 14.354 -7.236 368 HD11 ILE 45 3HD1 ILE 45 27.194 12.330 -5.887 369 HD12 ILE 45 1HD1 ILE 45 26.928 13.132 -4.339 370 HD13 ILE 45 2HD1 ILE 45 26.321 13.861 -5.827 371 H LYS 46 H LYS 46 26.751 15.586 -7.979 372 HA LYS 46 HA LYS 46 24.725 13.749 -7.822 373 HB2 LYS 46 2HB LYS 46 24.794 16.404 -9.255 374 HB3 LYS 46 3HB LYS 46 23.319 15.474 -9.032 375 HG2 LYS 46 2HG LYS 46 25.065 16.382 -6.759 376 HG3 LYS 46 3HG LYS 46 23.692 17.306 -7.371 377 HD2 LYS 46 2HD LYS 46 22.152 15.813 -6.560 378 HD3 LYS 46 3HD LYS 46 23.268 14.448 -6.650 379 HE2 LYS 46 2HE LYS 46 24.146 16.501 -4.784 380 HE3 LYS 46 3HE LYS 46 22.564 15.840 -4.371 381 HZ1 LYS 46 3HZ LYS 46 24.257 13.723 -5.079 382 HZ2 LYS 46 1HZ LYS 46 23.557 14.048 -3.574 383 HZ3 LYS 46 2HZ LYS 46 25.075 14.688 -3.957 384 H GLU 47 H GLU 47 26.215 15.018 -10.790 385 HA GLU 47 HA GLU 47 24.654 13.736 -12.672 386 HB2 GLU 47 2HB GLU 47 26.522 15.415 -13.059 387 HB3 GLU 47 3HB GLU 47 27.640 14.064 -12.935 388 HG2 GLU 47 2HG GLU 47 26.425 12.971 -14.810 389 HG3 GLU 47 3HG GLU 47 25.471 14.443 -14.984 390 H LYS 48 H LYS 48 27.415 12.485 -10.862 391 HA LYS 48 HA LYS 48 27.855 10.097 -12.172 392 HB2 LYS 48 2HB LYS 48 27.919 10.455 -9.173 393 HB3 LYS 48 3HB LYS 48 28.819 9.275 -10.117 394 HG2 LYS 48 2HG LYS 48 29.452 11.840 -11.131 395 HG3 LYS 48 3HG LYS 48 29.572 11.908 -9.372 396 HD2 LYS 48 2HD LYS 48 31.224 10.283 -9.294 397 HD3 LYS 48 3HD LYS 48 30.791 9.625 -10.874 398 HE2 LYS 48 2HE LYS 48 31.581 11.816 -11.856 399 HE3 LYS 48 3HE LYS 48 32.245 12.190 -10.267 400 HZ1 LYS 48 3HZ LYS 48 33.894 11.210 -11.767 401 HZ2 LYS 48 1HZ LYS 48 32.958 9.806 -11.887 402 HZ3 LYS 48 2HZ LYS 48 33.637 10.244 -10.402 403 H LEU 49 H LEU 49 25.643 10.647 -9.430 404 HA LEU 49 HA LEU 49 24.554 8.031 -9.481 405 HB2 LEU 49 2HB LEU 49 24.517 9.624 -7.545 406 HB3 LEU 49 3HB LEU 49 23.258 10.522 -8.391 407 HG LEU 49 HG LEU 49 21.897 8.379 -8.341 408 HD11 LEU 49 1HD1 LEU 49 23.642 6.794 -7.878 409 HD12 LEU 49 2HD1 LEU 49 22.504 6.802 -6.531 410 HD13 LEU 49 3HD1 LEU 49 24.056 7.626 -6.378 411 HD21 LEU 49 3HD2 LEU 49 21.598 8.706 -5.718 412 HD22 LEU 49 1HD2 LEU 49 21.038 9.901 -6.889 413 HD23 LEU 49 2HD2 LEU 49 22.572 10.139 -6.052 414 H LYS 50 H LYS 50 23.728 11.028 -11.086 415 HA LYS 50 HA LYS 50 21.139 10.335 -11.953 416 HB2 LYS 50 2HB LYS 50 22.621 12.587 -12.079 417 HB3 LYS 50 3HB LYS 50 22.796 12.024 -13.736 418 HG2 LYS 50 2HG LYS 50 20.834 12.922 -14.212 419 HG3 LYS 50 3HG LYS 50 20.068 11.784 -13.101 420 HD2 LYS 50 2HD LYS 50 19.383 13.717 -12.122 421 HD3 LYS 50 3HD LYS 50 20.948 13.566 -11.320 422 HE2 LYS 50 2HE LYS 50 21.738 15.406 -12.310 423 HE3 LYS 50 3HE LYS 50 21.139 14.908 -13.891 424 HZ1 LYS 50 3HZ LYS 50 19.597 16.467 -13.699 425 HZ2 LYS 50 1HZ LYS 50 20.072 16.830 -12.116 426 HZ3 LYS 50 2HZ LYS 50 18.921 15.623 -12.398 427 H LYS 51 H LYS 51 24.328 9.864 -13.410 428 HA LYS 51 HA LYS 51 23.370 8.773 -15.850 429 HB2 LYS 51 2HB LYS 51 25.893 9.414 -14.692 430 HB3 LYS 51 3HB LYS 51 25.962 7.746 -15.246 431 HG2 LYS 51 2HG LYS 51 25.640 8.325 -17.456 432 HG3 LYS 51 3HG LYS 51 24.884 9.867 -17.049 433 HD2 LYS 51 2HD LYS 51 27.573 9.761 -16.027 434 HD3 LYS 51 3HD LYS 51 27.556 9.410 -17.757 435 HE2 LYS 51 2HE LYS 51 26.092 11.754 -16.576 436 HE3 LYS 51 3HE LYS 51 27.783 11.852 -17.066 437 HZ1 LYS 51 3HZ LYS 51 27.248 11.581 -19.276 438 HZ2 LYS 51 1HZ LYS 51 25.948 12.515 -18.728 439 HZ3 LYS 51 2HZ LYS 51 25.757 10.849 -18.953 440 H LEU 52 H LEU 52 24.116 7.423 -12.714 441 HA LEU 52 HA LEU 52 24.341 4.725 -13.363 442 HB2 LEU 52 2HB LEU 52 24.870 5.524 -11.162 443 HB3 LEU 52 3HB LEU 52 23.208 6.054 -10.909 444 HG LEU 52 HG LEU 52 23.488 3.187 -11.462 445 HD11 LEU 52 1HD1 LEU 52 25.506 3.385 -10.201 446 HD12 LEU 52 2HD1 LEU 52 24.267 2.712 -9.141 447 HD13 LEU 52 3HD1 LEU 52 24.720 4.411 -9.001 448 HD21 LEU 52 3HD2 LEU 52 22.123 4.794 -9.304 449 HD22 LEU 52 1HD2 LEU 52 21.934 3.060 -9.569 450 HD23 LEU 52 2HD2 LEU 52 21.384 4.204 -10.794 451 H ALA 53 H ALA 53 21.594 6.790 -13.405 452 HA ALA 53 HA ALA 53 19.478 5.069 -12.962 453 HB1 ALA 53 1HB ALA 53 19.298 7.038 -15.194 454 HB2 ALA 53 2HB ALA 53 18.127 6.656 -13.931 455 HB3 ALA 53 3HB ALA 53 19.555 7.617 -13.548 456 H GLU 54 H GLU 54 21.657 5.214 -15.660 457 HA GLU 54 HA GLU 54 19.999 3.650 -17.419 458 HB2 GLU 54 2HB GLU 54 21.678 5.315 -18.228 459 HB3 GLU 54 3HB GLU 54 22.951 4.252 -17.645 460 HG2 GLU 54 2HG GLU 54 22.915 3.152 -19.557 461 HG3 GLU 54 3HG GLU 54 21.231 2.712 -19.280 462 H GLU 55 H GLU 55 22.655 3.067 -15.196 463 HA GLU 55 HA GLU 55 23.270 0.438 -15.977 464 HB2 GLU 55 2HB GLU 55 24.892 1.225 -14.580 465 HB3 GLU 55 3HB GLU 55 23.753 2.121 -13.586 466 HG2 GLU 55 2HG GLU 55 23.124 0.169 -12.395 467 HG3 GLU 55 3HG GLU 55 23.990 -0.873 -13.523 468 H PHE 56 H PHE 56 20.845 1.739 -13.788 469 HA PHE 56 HA PHE 56 19.376 -0.746 -13.912 470 HB2 PHE 56 2HB PHE 56 21.039 -0.933 -11.973 471 HB3 PHE 56 3HB PHE 56 20.077 0.308 -11.177 472 HD1 PHE 56 HD1 PHE 56 19.098 -2.652 -13.216 473 HD2 PHE 56 HD2 PHE 56 18.932 -0.685 -9.446 474 HE1 PHE 56 HE1 PHE 56 17.563 -4.386 -12.383 475 HE2 PHE 56 HE2 PHE 56 17.398 -2.415 -8.606 476 HZ PHE 56 HZ PHE 56 16.712 -4.269 -10.075 477 HA PRO 57 HA PRO 57 16.840 3.142 -13.769 478 HB2 PRO 57 2HB PRO 57 15.313 2.502 -15.920 479 HB3 PRO 57 3HB PRO 57 16.867 3.331 -16.059 480 HG2 PRO 57 2HG PRO 57 16.227 0.431 -16.437 481 HG3 PRO 57 3HG PRO 57 17.272 1.482 -17.410 482 HD2 PRO 57 2HD PRO 57 18.253 -0.254 -15.578 483 HD3 PRO 57 3HD PRO 57 19.040 1.296 -15.943 484 H ASP 58 H ASP 58 16.363 -0.193 -13.454 485 HA ASP 58 HA ASP 58 13.531 -0.259 -13.197 486 HB2 ASP 58 2HB ASP 58 14.325 -2.379 -13.557 487 HB3 ASP 58 3HB ASP 58 15.781 -2.112 -12.602 488 H VAL 59 H VAL 59 16.096 0.713 -11.118 489 HA VAL 59 HA VAL 59 14.433 0.550 -8.723 490 HB VAL 59 HB VAL 59 16.851 -0.090 -8.643 491 HG11 VAL 59 1HG1 VAL 59 17.184 2.370 -9.954 492 HG12 VAL 59 2HG1 VAL 59 17.909 2.559 -8.357 493 HG13 VAL 59 3HG1 VAL 59 18.440 1.254 -9.418 494 HG21 VAL 59 3HG2 VAL 59 17.220 0.817 -6.491 495 HG22 VAL 59 1HG2 VAL 59 16.264 2.254 -6.852 496 HG23 VAL 59 2HG2 VAL 59 15.470 0.690 -6.669 497 H ASP 60 H ASP 60 14.026 2.389 -7.395 498 HA ASP 60 HA ASP 60 13.608 4.814 -8.959 499 HB2 ASP 60 2HB ASP 60 11.651 4.272 -7.815 500 HB3 ASP 60 3HB ASP 60 12.519 3.766 -6.369 501 H ILE 61 H ILE 61 14.836 6.568 -8.782 502 HA ILE 61 HA ILE 61 16.549 6.846 -6.400 503 HB ILE 61 HB ILE 61 17.374 7.791 -9.134 504 HG12 ILE 61 2HG1 ILE 61 18.944 5.584 -8.555 505 HG13 ILE 61 3HG1 ILE 61 17.332 5.070 -8.070 506 HG21 ILE 61 1HG2 ILE 61 19.267 8.476 -8.155 507 HG22 ILE 61 2HG2 ILE 61 18.359 8.354 -6.649 508 HG23 ILE 61 3HG2 ILE 61 19.392 7.021 -7.166 509 HD11 ILE 61 3HD1 ILE 61 16.907 6.254 -10.514 510 HD12 ILE 61 1HD1 ILE 61 18.454 5.432 -10.716 511 HD13 ILE 61 2HD1 ILE 61 17.033 4.524 -10.199 512 H TYR 62 H TYR 62 15.685 8.473 -5.275 513 HA TYR 62 HA TYR 62 15.139 10.988 -6.703 514 HB2 TYR 62 2HB TYR 62 13.166 11.382 -5.467 515 HB3 TYR 62 3HB TYR 62 13.053 9.701 -5.976 516 HD1 TYR 62 HD1 TYR 62 13.981 7.951 -4.240 517 HD2 TYR 62 HD2 TYR 62 12.759 11.904 -3.250 518 HE1 TYR 62 HE1 TYR 62 13.661 7.260 -1.901 519 HE2 TYR 62 HE2 TYR 62 12.437 11.225 -0.909 520 HH TYR 62 HH TYR 62 11.910 8.756 0.234 521 H LEU 63 H LEU 63 15.300 12.914 -5.358 522 HA LEU 63 HA LEU 63 17.186 12.541 -3.125 523 HB2 LEU 63 2HB LEU 63 17.067 14.563 -5.319 524 HB3 LEU 63 3HB LEU 63 17.794 14.995 -3.773 525 HG LEU 63 HG LEU 63 19.194 12.800 -4.208 526 HD11 LEU 63 1HD1 LEU 63 18.807 13.705 -7.036 527 HD12 LEU 63 2HD1 LEU 63 17.799 12.436 -6.341 528 HD13 LEU 63 3HD1 LEU 63 19.547 12.223 -6.430 529 HD21 LEU 63 3HD2 LEU 63 19.580 15.581 -4.602 530 HD22 LEU 63 1HD2 LEU 63 20.387 14.730 -5.920 531 HD23 LEU 63 2HD2 LEU 63 20.786 14.343 -4.246 532 H VAL 64 H VAL 64 17.014 13.945 -1.333 533 HA VAL 64 HA VAL 64 14.457 15.397 -1.136 534 HB VAL 64 HB VAL 64 15.738 13.864 1.127 535 HG11 VAL 64 1HG1 VAL 64 14.400 15.712 1.893 536 HG12 VAL 64 2HG1 VAL 64 13.068 15.235 0.839 537 HG13 VAL 64 3HG1 VAL 64 13.529 14.209 2.199 538 HG21 VAL 64 3HG2 VAL 64 13.354 13.082 -0.549 539 HG22 VAL 64 1HG2 VAL 64 14.953 12.343 -0.639 540 HG23 VAL 64 2HG2 VAL 64 13.996 12.198 0.835 541 H ASP 65 H ASP 65 14.493 17.359 -0.136 542 HA ASP 65 HA ASP 65 17.066 18.604 0.199 543 HB2 ASP 65 2HB ASP 65 15.630 20.619 0.816 544 HB3 ASP 65 3HB ASP 65 15.420 19.974 -0.809 545 H THR 66 H THR 66 17.783 19.688 2.105 546 HA THR 66 HA THR 66 17.364 18.149 4.482 547 HB THR 66 HB THR 66 18.743 20.638 4.982 548 HG1 THR 66 HG1 THR 66 20.527 19.801 3.439 549 HG21 THR 66 3HG2 THR 66 18.877 18.112 5.899 550 HG22 THR 66 1HG2 THR 66 20.192 19.273 6.069 551 HG23 THR 66 2HG2 THR 66 20.224 18.090 4.762 552 H SER 67 H SER 67 15.849 20.867 3.127 553 HA SER 67 HA SER 67 15.051 22.120 5.584 554 HB2 SER 67 2HB SER 67 15.195 23.029 3.056 555 HB3 SER 67 3HB SER 67 13.485 22.603 3.108 556 HG SER 67 HG SER 67 14.898 24.467 4.682 557 H THR 68 H THR 68 13.809 19.626 3.511 558 HA THR 68 HA THR 68 11.149 19.672 4.616 559 HB THR 68 HB THR 68 11.127 17.321 3.417 560 HG1 THR 68 HG1 THR 68 12.661 17.283 1.711 561 HG21 THR 68 3HG2 THR 68 10.888 20.076 2.408 562 HG22 THR 68 1HG2 THR 68 9.748 18.735 2.322 563 HG23 THR 68 2HG2 THR 68 11.077 18.837 1.168 564 H ASN 69 H ASN 69 14.153 18.355 5.531 565 HA ASN 69 HA ASN 69 12.828 16.787 7.628 566 HB2 ASN 69 2HB ASN 69 14.916 15.201 7.311 567 HB3 ASN 69 3HB ASN 69 13.469 14.993 6.329 568 HD21 ASN 69 2HD2 ASN 69 16.964 16.248 4.677 569 HD22 ASN 69 1HD2 ASN 69 16.742 16.204 6.390 570 HA PRO 70 HA PRO 70 16.128 19.712 9.195 571 HB2 PRO 70 2HB PRO 70 14.529 20.978 10.986 572 HB3 PRO 70 3HB PRO 70 14.687 21.497 9.304 573 HG2 PRO 70 2HG PRO 70 12.538 19.853 10.585 574 HG3 PRO 70 3HG PRO 70 12.386 21.177 9.415 575 HD2 PRO 70 2HD PRO 70 12.224 18.571 8.696 576 HD3 PRO 70 3HD PRO 70 12.890 19.818 7.623 577 H GLU 71 H GLU 71 13.514 18.128 11.029 578 HA GLU 71 HA GLU 71 15.258 17.706 13.302 579 HB2 GLU 71 2HB GLU 71 12.372 17.102 12.723 580 HB3 GLU 71 3HB GLU 71 13.173 16.405 14.124 581 HG2 GLU 71 2HG GLU 71 13.687 19.224 13.994 582 HG3 GLU 71 3HG GLU 71 11.954 18.911 13.918 583 H ALA 72 H ALA 72 13.959 15.880 10.618 584 HA ALA 72 HA ALA 72 14.340 13.277 11.433 585 HB1 ALA 72 1HB ALA 72 13.796 14.573 9.022 586 HB2 ALA 72 2HB ALA 72 15.224 13.586 8.709 587 HB3 ALA 72 3HB ALA 72 13.755 12.838 9.335 588 H ARG 73 H ARG 73 16.732 15.597 10.292 589 HA ARG 73 HA ARG 73 18.905 13.956 9.853 590 HB2 ARG 73 2HB ARG 73 18.453 16.741 10.227 591 HB3 ARG 73 3HB ARG 73 19.830 16.283 11.219 592 HG2 ARG 73 2HG ARG 73 20.065 15.079 8.632 593 HG3 ARG 73 3HG ARG 73 19.786 16.814 8.467 594 HD2 ARG 73 2HD ARG 73 21.950 15.463 10.074 595 HD3 ARG 73 3HD ARG 73 22.155 16.403 8.596 596 HE ARG 73 HE ARG 73 21.885 17.416 11.259 597 HH11 ARG 73 1HH1 ARG 73 21.331 18.116 7.894 598 HH12 ARG 73 2HH1 ARG 73 21.387 19.834 8.108 599 HH21 ARG 73 2HH2 ARG 73 21.747 20.721 10.189 600 HH22 ARG 73 1HH2 ARG 73 21.961 19.676 11.553 601 H GLU 74 H GLU 74 18.294 15.714 12.902 602 HA GLU 74 HA GLU 74 20.216 14.290 14.387 603 HB2 GLU 74 2HB GLU 74 18.819 16.526 14.855 604 HB3 GLU 74 3HB GLU 74 17.847 15.403 15.796 605 HG2 GLU 74 2HG GLU 74 20.815 15.511 16.139 606 HG3 GLU 74 3HG GLU 74 19.766 16.673 16.948 607 H TRP 75 H TRP 75 16.866 13.657 13.653 608 HA TRP 75 HA TRP 75 16.163 11.853 15.617 609 HB2 TRP 75 2HB TRP 75 14.834 12.766 13.554 610 HB3 TRP 75 3HB TRP 75 15.420 11.305 12.764 611 HD1 TRP 75 HD1 TRP 75 13.726 12.033 16.195 612 HE1 TRP 75 HE1 TRP 75 11.905 10.251 16.560 613 HE3 TRP 75 HE3 TRP 75 14.331 9.359 11.880 614 HZ2 TRP 75 HZ2 TRP 75 10.864 8.008 15.199 615 HZ3 TRP 75 HZ3 TRP 75 12.883 7.408 11.489 616 HH2 TRP 75 HH2 TRP 75 11.186 6.748 13.115 617 H TYR 76 H TYR 76 18.301 11.413 12.893 618 HA TYR 76 HA TYR 76 18.816 8.660 13.809 619 HB2 TYR 76 2HB TYR 76 17.674 8.745 11.595 620 HB3 TYR 76 3HB TYR 76 19.036 9.663 10.963 621 HD1 TYR 76 HD1 TYR 76 18.586 6.530 12.967 622 HD2 TYR 76 HD2 TYR 76 20.474 8.431 9.661 623 HE1 TYR 76 HE1 TYR 76 19.743 4.428 12.426 624 HE2 TYR 76 HE2 TYR 76 21.635 6.334 9.111 625 HH TYR 76 HH TYR 76 20.805 3.342 10.545 626 H ASN 77 H ASN 77 20.034 11.681 13.717 627 HA ASN 77 HA ASN 77 22.105 12.595 13.938 628 HB2 ASN 77 2HB ASN 77 22.478 11.155 15.776 629 HB3 ASN 77 3HB ASN 77 22.654 9.743 14.738 630 HD21 ASN 77 2HD2 ASN 77 26.077 10.080 15.179 631 HD22 ASN 77 1HD2 ASN 77 24.648 9.149 15.455 632 H ILE 78 H ILE 78 22.273 13.141 11.734 633 HA ILE 78 HA ILE 78 23.835 11.300 10.060 634 HB ILE 78 HB ILE 78 22.002 13.582 9.408 635 HG12 ILE 78 2HG1 ILE 78 21.821 11.332 7.662 636 HG13 ILE 78 3HG1 ILE 78 21.881 10.736 9.318 637 HG21 ILE 78 1HG2 ILE 78 22.803 13.143 6.987 638 HG22 ILE 78 2HG2 ILE 78 23.759 14.196 8.029 639 HG23 ILE 78 3HG2 ILE 78 24.264 12.528 7.759 640 HD11 ILE 78 3HD1 ILE 78 19.599 11.246 8.269 641 HD12 ILE 78 1HD1 ILE 78 19.918 11.817 9.906 642 HD13 ILE 78 2HD1 ILE 78 20.012 12.938 8.548 643 H THR 79 H THR 79 25.946 11.641 9.998 644 HA THR 79 HA THR 79 27.021 14.273 10.655 645 HB THR 79 HB THR 79 29.245 13.069 10.557 646 HG1 THR 79 HG1 THR 79 28.783 10.653 10.839 647 HG21 THR 79 3HG2 THR 79 27.608 11.566 12.510 648 HG22 THR 79 1HG2 THR 79 27.507 13.324 12.587 649 HG23 THR 79 2HG2 THR 79 29.069 12.523 12.754 650 H SER 80 H SER 80 26.599 12.147 7.945 651 HA SER 80 HA SER 80 28.144 14.006 6.259 652 HB2 SER 80 2HB SER 80 28.164 11.999 4.636 653 HB3 SER 80 3HB SER 80 29.212 11.920 6.052 654 HG SER 80 HG SER 80 28.195 10.159 6.535 655 H VAL 81 H VAL 81 26.633 15.427 5.568 656 HA VAL 81 HA VAL 81 23.998 15.264 5.158 657 HB VAL 81 HB VAL 81 25.102 16.457 2.772 658 HG11 VAL 81 1HG1 VAL 81 24.028 18.435 3.626 659 HG12 VAL 81 2HG1 VAL 81 22.978 17.046 3.911 660 HG13 VAL 81 3HG1 VAL 81 23.920 17.727 5.238 661 HG21 VAL 81 3HG2 VAL 81 27.191 16.481 4.055 662 HG22 VAL 81 1HG2 VAL 81 26.555 18.109 3.819 663 HG23 VAL 81 2HG2 VAL 81 26.366 17.306 5.378 664 HA PRO 82 HA PRO 82 24.408 13.242 0.787 665 HB2 PRO 82 2HB PRO 82 26.850 12.289 0.081 666 HB3 PRO 82 3HB PRO 82 26.330 13.944 -0.258 667 HG2 PRO 82 2HG PRO 82 28.064 12.920 1.957 668 HG3 PRO 82 3HG PRO 82 28.268 14.368 0.955 669 HD2 PRO 82 2HD PRO 82 27.259 14.464 3.466 670 HD3 PRO 82 3HD PRO 82 26.752 15.589 2.190 671 H THR 83 H THR 83 23.335 11.833 2.481 672 HA THR 83 HA THR 83 24.826 9.347 2.961 673 HB THR 83 HB THR 83 22.291 9.249 4.233 674 HG1 THR 83 HG1 THR 83 23.712 11.676 4.712 675 HG21 THR 83 3HG2 THR 83 24.821 9.912 5.682 676 HG22 THR 83 1HG2 THR 83 24.677 8.369 4.841 677 HG23 THR 83 2HG2 THR 83 23.540 8.784 6.123 678 H PHE 84 H PHE 84 23.819 7.311 2.555 679 HA PHE 84 HA PHE 84 21.647 7.418 0.569 680 HB2 PHE 84 2HB PHE 84 24.296 6.089 0.443 681 HB3 PHE 84 3HB PHE 84 22.928 5.171 -0.179 682 HD1 PHE 84 HD1 PHE 84 24.006 8.744 -0.335 683 HD2 PHE 84 HD2 PHE 84 22.764 5.269 -2.456 684 HE1 PHE 84 HE1 PHE 84 24.137 9.993 -2.451 685 HE2 PHE 84 HE2 PHE 84 22.894 6.512 -4.576 686 HZ PHE 84 HZ PHE 84 23.582 8.876 -4.575 687 H VAL 85 H VAL 85 19.891 6.514 1.400 688 HA VAL 85 HA VAL 85 20.210 4.209 3.209 689 HB VAL 85 HB VAL 85 17.806 6.026 3.060 690 HG11 VAL 85 1HG1 VAL 85 18.589 4.319 5.386 691 HG12 VAL 85 2HG1 VAL 85 16.995 4.917 4.919 692 HG13 VAL 85 3HG1 VAL 85 17.748 3.606 4.009 693 HG21 VAL 85 3HG2 VAL 85 18.636 7.108 5.080 694 HG22 VAL 85 1HG2 VAL 85 20.100 6.126 5.017 695 HG23 VAL 85 2HG2 VAL 85 19.777 7.310 3.750 696 H ILE 86 H ILE 86 19.327 2.314 2.651 697 HA ILE 86 HA ILE 86 17.615 2.257 0.255 698 HB ILE 86 HB ILE 86 19.084 -0.152 1.259 699 HG12 ILE 86 2HG1 ILE 86 20.235 1.976 -0.560 700 HG13 ILE 86 3HG1 ILE 86 20.763 1.642 1.086 701 HG21 ILE 86 1HG2 ILE 86 19.047 0.062 -1.551 702 HG22 ILE 86 2HG2 ILE 86 18.130 -1.046 -0.532 703 HG23 ILE 86 3HG2 ILE 86 17.442 0.514 -0.980 704 HD11 ILE 86 3HD1 ILE 86 21.366 0.241 -1.414 705 HD12 ILE 86 1HD1 ILE 86 22.313 0.394 0.065 706 HD13 ILE 86 2HD1 ILE 86 21.021 -0.802 -0.035 707 H GLU 87 H GLU 87 15.582 1.607 0.491 708 HA GLU 87 HA GLU 87 14.873 0.095 2.919 709 HB2 GLU 87 2HB GLU 87 12.626 1.135 2.730 710 HB3 GLU 87 3HB GLU 87 13.909 2.303 3.015 711 HG2 GLU 87 2HG GLU 87 12.588 3.313 1.402 712 HG3 GLU 87 3HG GLU 87 13.923 2.627 0.478 713 H LYS 88 H LYS 88 12.615 -1.005 2.559 714 HA LYS 88 HA LYS 88 11.995 -1.926 -0.058 715 HB2 LYS 88 2HB LYS 88 14.164 -3.165 0.585 716 HB3 LYS 88 3HB LYS 88 13.158 -4.060 1.717 717 HG2 LYS 88 2HG LYS 88 12.268 -3.895 -1.110 718 HG3 LYS 88 3HG LYS 88 13.637 -4.940 -0.722 719 HD2 LYS 88 2HD LYS 88 12.088 -6.483 -0.234 720 HD3 LYS 88 3HD LYS 88 11.841 -5.564 1.252 721 HE2 LYS 88 2HE LYS 88 9.731 -5.256 0.625 722 HE3 LYS 88 3HE LYS 88 10.327 -4.250 -0.694 723 HZ1 LYS 88 3HZ LYS 88 10.160 -5.965 -2.196 724 HZ2 LYS 88 1HZ LYS 88 8.821 -6.267 -1.207 725 HZ3 LYS 88 2HZ LYS 88 10.236 -7.173 -1.014 726 H GLY 89 H GLY 89 9.858 -1.678 0.303 727 HA2 GLY 89 2HA GLY 89 7.786 -2.582 0.917 728 HA3 GLY 89 3HA GLY 89 8.596 -3.558 2.133 729 H GLY 90 H GLY 90 9.958 -1.617 3.561 730 HA2 GLY 90 2HA GLY 90 8.868 0.710 4.325 731 HA3 GLY 90 3HA GLY 90 7.746 -0.444 5.031 732 H GLU 91 H GLU 91 11.296 -0.346 4.718 733 HA GLU 91 HA GLU 91 11.834 0.187 7.412 734 HB2 GLU 91 2HB GLU 91 12.668 -2.172 7.997 735 HB3 GLU 91 3HB GLU 91 10.939 -1.866 8.091 736 HG2 GLU 91 2HG GLU 91 10.465 -3.164 6.268 737 HG3 GLU 91 3HG GLU 91 12.064 -2.944 5.558 738 HA PRO 92 HA PRO 92 15.886 0.610 5.785 739 HB2 PRO 92 2HB PRO 92 17.411 0.193 7.992 740 HB3 PRO 92 3HB PRO 92 16.447 1.656 7.753 741 HG2 PRO 92 2HG PRO 92 15.822 -0.780 9.377 742 HG3 PRO 92 3HG PRO 92 15.583 0.929 9.786 743 HD2 PRO 92 2HD PRO 92 13.568 -0.657 8.918 744 HD3 PRO 92 3HD PRO 92 13.638 1.080 8.559 745 H LEU 93 H LEU 93 17.037 -0.726 4.552 746 HA LEU 93 HA LEU 93 17.496 -3.477 5.503 747 HB2 LEU 93 2HB LEU 93 16.013 -3.097 3.464 748 HB3 LEU 93 3HB LEU 93 17.487 -2.616 2.625 749 HG LEU 93 HG LEU 93 18.417 -4.886 3.162 750 HD11 LEU 93 1HD1 LEU 93 16.331 -5.070 4.901 751 HD12 LEU 93 2HD1 LEU 93 17.270 -6.436 4.299 752 HD13 LEU 93 3HD1 LEU 93 15.741 -6.011 3.531 753 HD21 LEU 93 3HD2 LEU 93 17.548 -5.796 1.241 754 HD22 LEU 93 1HD2 LEU 93 17.127 -4.097 1.023 755 HD23 LEU 93 2HD2 LEU 93 15.910 -5.241 1.588 756 H GLY 94 H GLY 94 18.888 -0.746 3.738 757 HA2 GLY 94 2HA GLY 94 21.550 -1.698 4.530 758 HA3 GLY 94 3HA GLY 94 21.253 -1.356 2.832 759 H GLU 95 H GLU 95 23.257 -0.023 4.042 760 HA GLU 95 HA GLU 95 22.484 2.692 3.688 761 HB2 GLU 95 2HB GLU 95 22.778 3.561 5.872 762 HB3 GLU 95 3HB GLU 95 21.692 2.189 6.042 763 HG2 GLU 95 2HG GLU 95 23.594 0.803 6.758 764 HG3 GLU 95 3HG GLU 95 24.639 2.218 6.652 765 H VAL 96 H VAL 96 24.236 4.032 3.358 766 HA VAL 96 HA VAL 96 26.910 2.916 3.821 767 HB VAL 96 HB VAL 96 26.018 4.119 1.196 768 HG11 VAL 96 1HG1 VAL 96 28.319 3.292 0.485 769 HG12 VAL 96 2HG1 VAL 96 28.267 4.733 1.503 770 HG13 VAL 96 3HG1 VAL 96 28.684 3.169 2.205 771 HG21 VAL 96 3HG2 VAL 96 26.699 1.281 1.955 772 HG22 VAL 96 1HG2 VAL 96 25.138 1.894 1.410 773 HG23 VAL 96 2HG2 VAL 96 26.505 1.850 0.297 774 H LYS 97 H LYS 97 28.552 4.433 4.095 775 HA LYS 97 HA LYS 97 27.741 7.258 4.132 776 HB2 LYS 97 2HB LYS 97 29.438 6.039 6.304 777 HB3 LYS 97 3HB LYS 97 28.677 7.625 6.282 778 HG2 LYS 97 2HG LYS 97 27.021 6.740 7.455 779 HG3 LYS 97 3HG LYS 97 26.569 5.837 6.007 780 HD2 LYS 97 2HD LYS 97 26.896 4.014 7.270 781 HD3 LYS 97 3HD LYS 97 28.615 4.325 7.017 782 HE2 LYS 97 2HE LYS 97 28.273 4.023 9.357 783 HE3 LYS 97 3HE LYS 97 28.575 5.738 9.081 784 HZ1 LYS 97 3HZ LYS 97 25.827 5.332 8.894 785 HZ2 LYS 97 1HZ LYS 97 26.672 6.172 10.095 786 HZ3 LYS 97 2HZ LYS 97 26.345 4.524 10.287 787 H GLY 98 H GLY 98 28.922 7.703 2.277 788 HA2 GLY 98 2HA GLY 98 31.371 8.727 2.326 789 HA3 GLY 98 3HA GLY 98 31.755 7.015 2.211 790 HA PRO 99 HA PRO 99 30.738 9.058 -1.998 791 HB2 PRO 99 2HB PRO 99 33.257 9.562 -2.874 792 HB3 PRO 99 3HB PRO 99 32.296 10.746 -1.982 793 HG2 PRO 99 2HG PRO 99 34.453 8.923 -0.989 794 HG3 PRO 99 3HG PRO 99 34.173 10.633 -0.613 795 HD2 PRO 99 2HD PRO 99 33.436 8.634 1.058 796 HD3 PRO 99 3HD PRO 99 32.528 10.154 0.929 797 H ASP 100 H ASP 100 30.110 7.004 -2.653 798 HA ASP 100 HA ASP 100 32.181 5.469 -4.018 799 HB2 ASP 100 2HB ASP 100 31.457 3.347 -3.081 800 HB3 ASP 100 3HB ASP 100 31.946 4.431 -1.780 801 H ILE 101 H ILE 101 30.501 7.046 -5.342 802 HA ILE 101 HA ILE 101 27.984 6.066 -6.029 803 HB ILE 101 HB ILE 101 29.958 7.678 -7.638 804 HG12 ILE 101 2HG1 ILE 101 29.008 8.745 -5.622 805 HG13 ILE 101 3HG1 ILE 101 28.477 9.540 -7.099 806 HG21 ILE 101 1HG2 ILE 101 27.376 6.493 -8.421 807 HG22 ILE 101 2HG2 ILE 101 27.603 8.191 -8.836 808 HG23 ILE 101 3HG2 ILE 101 28.750 6.982 -9.412 809 HD11 ILE 101 3HD1 ILE 101 26.903 7.678 -5.346 810 HD12 ILE 101 1HD1 ILE 101 26.608 9.389 -5.655 811 HD13 ILE 101 2HD1 ILE 101 26.366 8.206 -6.940 812 H ASP 102 H ASP 102 31.161 5.061 -7.033 813 HA ASP 102 HA ASP 102 30.241 3.505 -9.273 814 HB2 ASP 102 2HB ASP 102 32.548 4.534 -9.057 815 HB3 ASP 102 3HB ASP 102 32.907 3.280 -7.873 816 H LYS 103 H LYS 103 31.213 2.867 -5.936 817 HA LYS 103 HA LYS 103 30.932 0.026 -6.164 818 HB2 LYS 103 2HB LYS 103 32.305 1.482 -4.452 819 HB3 LYS 103 3HB LYS 103 30.804 1.449 -3.535 820 HG2 LYS 103 2HG LYS 103 30.854 -0.964 -3.467 821 HG3 LYS 103 3HG LYS 103 32.293 -0.989 -4.489 822 HD2 LYS 103 2HD LYS 103 33.654 -0.135 -2.801 823 HD3 LYS 103 3HD LYS 103 32.283 0.497 -1.886 824 HE2 LYS 103 2HE LYS 103 31.579 -1.936 -1.588 825 HE3 LYS 103 3HE LYS 103 33.189 -2.355 -2.170 826 HZ1 LYS 103 3HZ LYS 103 34.141 -1.078 -0.355 827 HZ2 LYS 103 1HZ LYS 103 33.109 -2.278 0.242 828 HZ3 LYS 103 2HZ LYS 103 32.598 -0.667 0.201 829 H LEU 104 H LEU 104 28.770 2.625 -5.703 830 HA LEU 104 HA LEU 104 26.777 1.572 -4.105 831 HB2 LEU 104 2HB LEU 104 26.935 3.879 -5.155 832 HB3 LEU 104 3HB LEU 104 26.232 3.157 -6.601 833 HG LEU 104 HG LEU 104 24.374 2.407 -4.850 834 HD11 LEU 104 1HD1 LEU 104 25.129 5.074 -3.721 835 HD12 LEU 104 2HD1 LEU 104 25.784 3.586 -3.040 836 HD13 LEU 104 3HD1 LEU 104 24.041 3.851 -3.066 837 HD21 LEU 104 3HD2 LEU 104 24.065 5.232 -5.578 838 HD22 LEU 104 1HD2 LEU 104 23.066 3.836 -5.983 839 HD23 LEU 104 2HD2 LEU 104 24.528 4.172 -6.911 840 H ARG 105 H ARG 105 27.394 1.023 -7.538 841 HA ARG 105 HA ARG 105 25.079 -0.365 -8.204 842 HB2 ARG 105 2HB ARG 105 26.290 -1.243 -10.076 843 HB3 ARG 105 3HB ARG 105 26.855 0.398 -9.794 844 HG2 ARG 105 2HG ARG 105 28.741 -0.704 -8.442 845 HG3 ARG 105 3HG ARG 105 28.259 -2.190 -9.263 846 HD2 ARG 105 2HD ARG 105 28.396 -0.562 -11.377 847 HD3 ARG 105 3HD ARG 105 29.568 0.242 -10.333 848 HE ARG 105 HE ARG 105 29.915 -2.228 -11.710 849 HH11 ARG 105 1HH1 ARG 105 30.784 -0.491 -8.821 850 HH12 ARG 105 2HH1 ARG 105 32.272 -1.349 -8.596 851 HH21 ARG 105 2HH2 ARG 105 32.890 -2.983 -10.078 852 HH22 ARG 105 1HH2 ARG 105 31.872 -3.365 -11.425 853 H GLU 106 H GLU 106 27.968 -1.440 -6.531 854 HA GLU 106 HA GLU 106 27.083 -4.210 -6.532 855 HB2 GLU 106 2HB GLU 106 29.423 -3.149 -4.975 856 HB3 GLU 106 3HB GLU 106 29.180 -4.760 -5.636 857 HG2 GLU 106 2HG GLU 106 29.312 -3.681 -7.927 858 HG3 GLU 106 3HG GLU 106 29.904 -2.243 -7.097 859 H THR 107 H THR 107 27.364 -1.492 -4.320 860 HA THR 107 HA THR 107 26.805 -2.870 -1.930 861 HB THR 107 HB THR 107 25.920 -0.034 -2.353 862 HG1 THR 107 HG1 THR 107 28.615 -0.906 -2.008 863 HG21 THR 107 3HG2 THR 107 26.562 -1.789 -0.115 864 HG22 THR 107 1HG2 THR 107 25.633 -0.291 -0.145 865 HG23 THR 107 2HG2 THR 107 27.392 -0.235 -0.031 866 H LEU 108 H LEU 108 24.731 -1.513 -4.414 867 HA LEU 108 HA LEU 108 22.322 -1.961 -2.871 868 HB2 LEU 108 2HB LEU 108 21.258 -0.701 -4.410 869 HB3 LEU 108 3HB LEU 108 22.901 -0.161 -4.750 870 HG LEU 108 HG LEU 108 22.795 -2.159 -6.494 871 HD11 LEU 108 1HD1 LEU 108 20.701 -3.066 -6.210 872 HD12 LEU 108 2HD1 LEU 108 20.409 -1.918 -7.516 873 HD13 LEU 108 3HD1 LEU 108 19.953 -1.507 -5.863 874 HD21 LEU 108 3HD2 LEU 108 22.443 0.668 -6.566 875 HD22 LEU 108 1HD2 LEU 108 21.391 -0.069 -7.775 876 HD23 LEU 108 2HD2 LEU 108 23.124 -0.396 -7.797 877 H ASP 109 H ASP 109 24.245 -3.643 -5.188 878 HA ASP 109 HA ASP 109 22.177 -5.454 -6.033 879 HB2 ASP 109 2HB ASP 109 23.794 -5.269 -7.672 880 HB3 ASP 109 3HB ASP 109 25.115 -5.191 -6.509 881 H GLU 110 H GLU 110 25.027 -5.686 -3.917 882 HA GLU 110 HA GLU 110 24.781 -8.342 -3.163 883 HB2 GLU 110 2HB GLU 110 25.718 -6.037 -1.445 884 HB3 GLU 110 3HB GLU 110 26.054 -7.738 -1.155 885 HG2 GLU 110 2HG GLU 110 26.841 -6.657 -3.789 886 HG3 GLU 110 3HG GLU 110 27.758 -6.103 -2.389 887 H LEU 111 H LEU 111 22.851 -5.621 -2.285 888 HA LEU 111 HA LEU 111 21.599 -7.070 -0.073 889 HB2 LEU 111 2HB LEU 111 22.005 -4.877 0.566 890 HB3 LEU 111 3HB LEU 111 21.561 -4.232 -1.012 891 HG LEU 111 HG LEU 111 19.417 -5.517 0.587 892 HD11 LEU 111 1HD1 LEU 111 20.164 -4.303 2.384 893 HD12 LEU 111 2HD1 LEU 111 19.119 -3.121 1.596 894 HD13 LEU 111 3HD1 LEU 111 20.867 -3.036 1.378 895 HD21 LEU 111 3HD2 LEU 111 19.718 -3.371 -1.452 896 HD22 LEU 111 1HD2 LEU 111 18.344 -3.301 -0.347 897 HD23 LEU 111 2HD2 LEU 111 18.574 -4.712 -1.380 898 H LEU 112 H LEU 112 20.689 -5.424 -3.094 899 HA LEU 112 HA LEU 112 17.978 -6.131 -3.065 900 HB2 LEU 112 2HB LEU 112 19.101 -4.426 -4.534 901 HB3 LEU 112 3HB LEU 112 19.680 -5.766 -5.522 902 HG LEU 112 HG LEU 112 17.425 -6.345 -6.143 903 HD11 LEU 112 1HD1 LEU 112 16.007 -5.973 -4.393 904 HD12 LEU 112 2HD1 LEU 112 15.644 -4.560 -5.383 905 HD13 LEU 112 3HD1 LEU 112 16.724 -4.410 -3.997 906 HD21 LEU 112 3HD2 LEU 112 16.784 -3.819 -6.914 907 HD22 LEU 112 1HD2 LEU 112 17.947 -4.857 -7.739 908 HD23 LEU 112 2HD2 LEU 112 18.508 -3.654 -6.577 909 H ALA 113 H ALA 113 20.776 -8.002 -3.691 910 HA ALA 113 HA ALA 113 19.530 -9.997 -5.326 911 HB1 ALA 113 1HB ALA 113 22.119 -9.986 -3.785 912 HB2 ALA 113 2HB ALA 113 21.596 -11.308 -4.830 913 HB3 ALA 113 3HB ALA 113 21.894 -9.709 -5.513 914 H ARG 114 H ARG 114 19.825 -9.409 -1.922 915 HA ARG 114 HA ARG 114 19.407 -12.021 -0.961 916 HB2 ARG 114 2HB ARG 114 18.848 -9.305 0.220 917 HB3 ARG 114 3HB ARG 114 18.522 -10.794 1.097 918 HG2 ARG 114 2HG ARG 114 20.768 -11.326 1.289 919 HG3 ARG 114 3HG ARG 114 21.231 -10.280 -0.056 920 HD2 ARG 114 2HD ARG 114 21.938 -9.267 2.010 921 HD3 ARG 114 3HD ARG 114 20.625 -8.315 1.320 922 HE ARG 114 HE ARG 114 19.317 -8.859 3.127 923 HH11 ARG 114 1HH1 ARG 114 22.137 -10.900 3.074 924 HH12 ARG 114 2HH1 ARG 114 21.845 -11.566 4.647 925 HH21 ARG 114 2HH2 ARG 114 20.016 -10.899 5.854 926 HH22 ARG 114 1HH2 ARG 114 18.922 -9.728 5.199 927 H LEU 115 H LEU 115 17.057 -9.344 -1.206 928 HA LEU 115 HA LEU 115 14.847 -11.177 -0.902 929 HB2 LEU 115 2HB LEU 115 15.279 -8.345 -0.693 930 HB3 LEU 115 3HB LEU 115 13.890 -8.671 -1.728 931 HG LEU 115 HG LEU 115 13.120 -8.317 0.513 932 HD11 LEU 115 1HD1 LEU 115 12.145 -10.178 -0.916 933 HD12 LEU 115 2HD1 LEU 115 11.813 -10.244 0.814 934 HD13 LEU 115 3HD1 LEU 115 13.045 -11.293 0.113 935 HD21 LEU 115 3HD2 LEU 115 14.030 -10.414 2.051 936 HD22 LEU 115 1HD2 LEU 115 14.560 -8.736 2.163 937 HD23 LEU 115 2HD2 LEU 115 15.474 -9.886 1.187 938 H GLU 116 H GLU 116 15.541 -8.702 -3.378 939 HA GLU 116 HA GLU 116 14.047 -10.279 -5.324 940 HB2 GLU 116 2HB GLU 116 14.642 -7.468 -4.946 941 HB3 GLU 116 3HB GLU 116 15.019 -7.981 -6.584 942 HG2 GLU 116 2HG GLU 116 12.377 -8.195 -5.168 943 HG3 GLU 116 3HG GLU 116 12.780 -7.172 -6.546 Start of MODEL 9 1 H1 MET 1 H MET 1 1.856 1.304 -6.481 2 HA MET 1 HA MET 1 0.540 2.417 -4.806 3 HB2 MET 1 2HB MET 1 2.836 1.649 -2.995 4 HB3 MET 1 3HB MET 1 1.461 2.634 -2.515 5 HG2 MET 1 2HG MET 1 0.130 0.865 -2.248 6 HG3 MET 1 3HG MET 1 0.716 0.080 -3.713 7 HE1 MET 1 3HE MET 1 0.041 -0.716 -0.425 8 HE2 MET 1 1HE MET 1 1.495 -1.221 0.437 9 HE3 MET 1 2HE MET 1 1.177 0.494 0.175 10 H ALA 2 H ALA 2 2.551 3.142 -6.798 11 HA ALA 2 HA ALA 2 3.583 5.619 -5.577 12 HB1 ALA 2 1HB ALA 2 4.797 4.917 -8.119 13 HB2 ALA 2 2HB ALA 2 5.552 5.308 -6.573 14 HB3 ALA 2 3HB ALA 2 5.013 3.661 -6.900 15 H ARG 3 H ARG 3 0.920 5.043 -6.803 16 HA ARG 3 HA ARG 3 -0.601 6.123 -8.104 17 HB2 ARG 3 2HB ARG 3 1.498 8.108 -7.620 18 HB3 ARG 3 3HB ARG 3 0.582 8.404 -9.091 19 HG2 ARG 3 2HG ARG 3 -0.715 9.550 -7.633 20 HG3 ARG 3 3HG ARG 3 -1.459 7.960 -7.457 21 HD2 ARG 3 2HD ARG 3 0.065 7.544 -5.526 22 HD3 ARG 3 3HD ARG 3 0.607 9.216 -5.659 23 HE ARG 3 HE ARG 3 -1.856 8.283 -4.529 24 HH11 ARG 3 1HH1 ARG 3 -0.279 10.965 -6.090 25 HH12 ARG 3 2HH1 ARG 3 -1.348 12.152 -5.420 26 HH21 ARG 3 2HH2 ARG 3 -3.049 11.509 -4.026 27 HH22 ARG 3 1HH2 ARG 3 -3.270 9.836 -3.640 28 HA PRO 4 HA PRO 4 0.126 5.018 -12.287 29 HB2 PRO 4 2HB PRO 4 -1.497 6.725 -13.637 30 HB3 PRO 4 3HB PRO 4 -2.110 5.376 -12.673 31 HG2 PRO 4 2HG PRO 4 -1.903 8.276 -11.959 32 HG3 PRO 4 3HG PRO 4 -3.234 7.143 -11.661 33 HD2 PRO 4 2HD PRO 4 -1.446 7.824 -9.746 34 HD3 PRO 4 3HD PRO 4 -2.204 6.220 -9.817 35 H SER 5 H SER 5 0.739 8.272 -11.281 36 HA SER 5 HA SER 5 1.692 9.440 -13.612 37 HB2 SER 5 2HB SER 5 3.326 10.185 -11.340 38 HB3 SER 5 3HB SER 5 2.143 11.146 -12.226 39 HG SER 5 HG SER 5 1.540 10.875 -10.042 40 H ASN 6 H ASN 6 3.141 8.620 -14.965 41 HA ASN 6 HA ASN 6 5.819 8.139 -14.181 42 HB2 ASN 6 2HB ASN 6 4.310 5.986 -13.582 43 HB3 ASN 6 3HB ASN 6 4.703 5.612 -15.257 44 HD21 ASN 6 2HD2 ASN 6 7.292 4.663 -12.503 45 HD22 ASN 6 1HD2 ASN 6 5.586 4.860 -12.315 46 H VAL 7 H VAL 7 6.390 9.451 -15.864 47 HA VAL 7 HA VAL 7 5.698 8.520 -18.574 48 HB VAL 7 HB VAL 7 6.244 10.830 -19.326 49 HG11 VAL 7 1HG1 VAL 7 4.081 10.702 -17.229 50 HG12 VAL 7 2HG1 VAL 7 4.167 11.825 -18.587 51 HG13 VAL 7 3HG1 VAL 7 3.929 10.102 -18.880 52 HG21 VAL 7 3HG2 VAL 7 7.703 11.531 -17.540 53 HG22 VAL 7 1HG2 VAL 7 6.312 12.613 -17.605 54 HG23 VAL 7 2HG2 VAL 7 6.402 11.365 -16.362 55 H LYS 8 H LYS 8 8.271 9.410 -16.397 56 HA LYS 8 HA LYS 8 10.253 8.847 -18.499 57 HB2 LYS 8 2HB LYS 8 10.251 10.608 -16.101 58 HB3 LYS 8 3HB LYS 8 11.776 9.852 -16.544 59 HG2 LYS 8 2HG LYS 8 10.911 10.817 -18.944 60 HG3 LYS 8 3HG LYS 8 10.321 12.041 -17.817 61 HD2 LYS 8 2HD LYS 8 12.836 11.641 -16.880 62 HD3 LYS 8 3HD LYS 8 13.072 11.359 -18.607 63 HE2 LYS 8 2HE LYS 8 11.821 13.545 -18.970 64 HE3 LYS 8 3HE LYS 8 12.023 13.825 -17.241 65 HZ1 LYS 8 3HZ LYS 8 14.518 13.207 -17.967 66 HZ2 LYS 8 1HZ LYS 8 13.922 14.789 -17.900 67 HZ3 LYS 8 2HZ LYS 8 13.973 13.966 -19.377 68 HA PRO 9 HA PRO 9 11.611 5.162 -16.543 69 HB2 PRO 9 2HB PRO 9 14.306 5.295 -16.844 70 HB3 PRO 9 3HB PRO 9 13.203 4.984 -18.190 71 HG2 PRO 9 2HG PRO 9 14.523 7.545 -17.374 72 HG3 PRO 9 3HG PRO 9 14.310 6.864 -18.997 73 HD2 PRO 9 2HD PRO 9 12.717 8.823 -18.019 74 HD3 PRO 9 3HD PRO 9 12.128 7.590 -19.153 75 H SER 10 H SER 10 13.614 7.962 -15.617 76 HA SER 10 HA SER 10 14.605 6.891 -13.224 77 HB2 SER 10 2HB SER 10 14.656 9.510 -12.656 78 HB3 SER 10 3HB SER 10 15.791 8.768 -13.783 79 HG SER 10 HG SER 10 14.945 10.495 -14.841 80 HA PRO 11 HA PRO 11 11.341 7.141 -10.305 81 HB2 PRO 11 2HB PRO 11 12.615 8.017 -8.074 82 HB3 PRO 11 3HB PRO 11 12.825 6.386 -8.723 83 HG2 PRO 11 2HG PRO 11 14.583 8.789 -9.034 84 HG3 PRO 11 3HG PRO 11 15.036 7.105 -8.712 85 HD2 PRO 11 2HD PRO 11 15.200 8.211 -11.178 86 HD3 PRO 11 3HD PRO 11 14.829 6.493 -10.924 87 H HIS 12 H HIS 12 10.691 8.747 -8.316 88 HA HIS 12 HA HIS 12 10.472 11.414 -9.549 89 HB2 HIS 12 2HB HIS 12 8.397 9.830 -9.095 90 HB3 HIS 12 3HB HIS 12 8.537 10.493 -7.469 91 HD1 HIS 12 HD1 HIS 12 7.993 13.004 -7.162 92 HD2 HIS 12 HD2 HIS 12 7.485 11.614 -11.044 93 HE1 HIS 12 HE1 HIS 12 6.706 14.804 -8.357 94 H VAL 13 H VAL 13 10.698 13.247 -8.265 95 HA VAL 13 HA VAL 13 12.433 12.926 -5.993 96 HB VAL 13 HB VAL 13 11.223 15.468 -7.087 97 HG11 VAL 13 1HG1 VAL 13 13.087 14.857 -4.909 98 HG12 VAL 13 2HG1 VAL 13 13.636 16.121 -6.012 99 HG13 VAL 13 3HG1 VAL 13 12.087 16.283 -5.183 100 HG21 VAL 13 3HG2 VAL 13 13.482 15.714 -8.179 101 HG22 VAL 13 1HG2 VAL 13 13.765 14.017 -7.792 102 HG23 VAL 13 2HG2 VAL 13 12.439 14.468 -8.865 103 H ILE 14 H ILE 14 11.684 12.497 -4.031 104 HA ILE 14 HA ILE 14 8.965 12.936 -3.278 105 HB ILE 14 HB ILE 14 11.339 12.164 -1.579 106 HG12 ILE 14 2HG1 ILE 14 9.893 9.925 -1.738 107 HG13 ILE 14 3HG1 ILE 14 9.407 10.650 -3.267 108 HG21 ILE 14 1HG2 ILE 14 9.226 11.181 -0.256 109 HG22 ILE 14 2HG2 ILE 14 9.913 12.773 0.066 110 HG23 ILE 14 3HG2 ILE 14 8.488 12.619 -0.962 111 HD11 ILE 14 3HD1 ILE 14 11.436 10.352 -4.207 112 HD12 ILE 14 1HD1 ILE 14 12.300 10.590 -2.689 113 HD13 ILE 14 2HD1 ILE 14 11.514 9.047 -3.024 114 H LYS 15 H LYS 15 8.104 14.413 -1.850 115 HA LYS 15 HA LYS 15 9.803 16.404 -0.605 116 HB2 LYS 15 2HB LYS 15 8.637 18.309 -1.629 117 HB3 LYS 15 3HB LYS 15 9.489 17.350 -2.832 118 HG2 LYS 15 2HG LYS 15 7.513 16.466 -3.702 119 HG3 LYS 15 3HG LYS 15 6.577 16.917 -2.274 120 HD2 LYS 15 2HD LYS 15 7.886 19.070 -3.865 121 HD3 LYS 15 3HD LYS 15 6.427 18.311 -4.507 122 HE2 LYS 15 2HE LYS 15 6.038 18.895 -1.739 123 HE3 LYS 15 3HE LYS 15 6.633 20.342 -2.552 124 HZ1 LYS 15 3HZ LYS 15 4.158 20.042 -2.530 125 HZ2 LYS 15 1HZ LYS 15 4.368 18.738 -3.587 126 HZ3 LYS 15 2HZ LYS 15 4.839 20.292 -4.058 127 H SER 16 H SER 16 7.970 14.328 0.282 128 HA SER 16 HA SER 16 6.351 15.970 2.047 129 HB2 SER 16 2HB SER 16 5.224 14.349 -0.135 130 HB3 SER 16 3HB SER 16 4.499 14.044 1.444 131 HG SER 16 HG SER 16 4.206 16.176 -0.195 132 H LEU 17 H LEU 17 5.486 14.755 3.867 133 HA LEU 17 HA LEU 17 7.373 12.892 4.881 134 HB2 LEU 17 2HB LEU 17 5.629 14.578 6.023 135 HB3 LEU 17 3HB LEU 17 4.707 13.081 6.148 136 HG LEU 17 HG LEU 17 6.664 12.072 7.338 137 HD11 LEU 17 1HD1 LEU 17 7.707 14.764 7.959 138 HD12 LEU 17 2HD1 LEU 17 8.112 14.106 6.375 139 HD13 LEU 17 3HD1 LEU 17 8.546 13.218 7.835 140 HD21 LEU 17 3HD2 LEU 17 4.701 12.938 8.528 141 HD22 LEU 17 1HD2 LEU 17 5.461 14.528 8.612 142 HD23 LEU 17 2HD2 LEU 17 6.183 13.159 9.459 143 H GLU 18 H GLU 18 3.920 12.534 4.053 144 HA GLU 18 HA GLU 18 3.710 9.800 4.485 145 HB2 GLU 18 2HB GLU 18 1.907 11.590 3.878 146 HB3 GLU 18 3HB GLU 18 2.244 11.109 2.221 147 HG2 GLU 18 2HG GLU 18 0.392 9.839 2.906 148 HG3 GLU 18 3HG GLU 18 1.771 8.741 2.935 149 H GLU 19 H GLU 19 4.481 11.509 1.460 150 HA GLU 19 HA GLU 19 4.756 9.284 -0.188 151 HB2 GLU 19 2HB GLU 19 4.783 11.784 -0.795 152 HB3 GLU 19 3HB GLU 19 6.503 11.722 -0.438 153 HG2 GLU 19 2HG GLU 19 6.506 11.372 -2.696 154 HG3 GLU 19 3HG GLU 19 6.486 9.713 -2.098 155 H LEU 20 H LEU 20 7.019 10.732 2.072 156 HA LEU 20 HA LEU 20 9.329 9.340 1.251 157 HB2 LEU 20 2HB LEU 20 8.829 11.313 3.024 158 HB3 LEU 20 3HB LEU 20 9.046 9.952 4.121 159 HG LEU 20 HG LEU 20 11.265 9.562 2.901 160 HD11 LEU 20 1HD1 LEU 20 12.210 11.715 1.984 161 HD12 LEU 20 2HD1 LEU 20 10.552 12.313 1.920 162 HD13 LEU 20 3HD1 LEU 20 11.016 10.901 0.972 163 HD21 LEU 20 3HD2 LEU 20 11.071 12.132 4.451 164 HD22 LEU 20 1HD2 LEU 20 12.412 10.988 4.394 165 HD23 LEU 20 2HD2 LEU 20 10.909 10.544 5.203 166 H ARG 21 H ARG 21 7.319 8.742 4.142 167 HA ARG 21 HA ARG 21 8.436 6.212 4.681 168 HB2 ARG 21 2HB ARG 21 7.299 7.470 6.413 169 HB3 ARG 21 3HB ARG 21 5.790 7.408 5.514 170 HG2 ARG 21 2HG ARG 21 5.314 5.317 6.192 171 HG3 ARG 21 3HG ARG 21 7.000 4.801 6.138 172 HD2 ARG 21 2HD ARG 21 6.092 6.728 8.234 173 HD3 ARG 21 3HD ARG 21 5.771 5.005 8.427 174 HE ARG 21 HE ARG 21 8.292 6.332 8.711 175 HH11 ARG 21 1HH1 ARG 21 6.754 3.322 7.877 176 HH12 ARG 21 2HH1 ARG 21 8.126 2.353 8.301 177 HH21 ARG 21 2HH2 ARG 21 10.032 3.347 9.096 178 HH22 ARG 21 1HH2 ARG 21 10.105 5.067 9.273 179 H GLU 22 H GLU 22 6.207 7.221 2.328 180 HA GLU 22 HA GLU 22 4.739 4.775 2.086 181 HB2 GLU 22 2HB GLU 22 3.724 6.819 1.313 182 HB3 GLU 22 3HB GLU 22 5.068 7.130 0.224 183 HG2 GLU 22 2HG GLU 22 4.441 5.373 -1.214 184 HG3 GLU 22 3HG GLU 22 3.314 4.709 -0.033 185 H ALA 23 H ALA 23 7.174 6.321 -0.016 186 HA ALA 23 HA ALA 23 7.538 4.200 -1.773 187 HB1 ALA 23 1HB ALA 23 8.839 6.690 -1.198 188 HB2 ALA 23 2HB ALA 23 10.041 5.438 -1.512 189 HB3 ALA 23 3HB ALA 23 8.789 5.777 -2.706 190 H THR 24 H THR 24 8.669 4.616 1.472 191 HA THR 24 HA THR 24 10.732 2.614 1.306 192 HB THR 24 HB THR 24 10.727 2.820 3.832 193 HG1 THR 24 HG1 THR 24 8.536 3.604 3.978 194 HG21 THR 24 3HG2 THR 24 11.860 4.937 3.826 195 HG22 THR 24 1HG2 THR 24 11.031 5.432 2.350 196 HG23 THR 24 2HG2 THR 24 12.213 4.124 2.301 197 H ALA 25 H ALA 25 7.406 2.785 2.483 198 HA ALA 25 HA ALA 25 7.359 0.184 3.622 199 HB1 ALA 25 1HB ALA 25 5.013 1.793 2.626 200 HB2 ALA 25 2HB ALA 25 4.985 0.482 3.807 201 HB3 ALA 25 3HB ALA 25 5.774 2.009 4.203 202 H SER 26 H SER 26 7.037 1.384 0.400 203 HA SER 26 HA SER 26 5.499 -0.573 -0.819 204 HB2 SER 26 2HB SER 26 7.066 1.581 -1.668 205 HB3 SER 26 3HB SER 26 7.751 0.178 -2.489 206 HG SER 26 HG SER 26 5.622 -0.307 -3.221 207 H ASN 27 H ASN 27 6.300 -2.290 -2.331 208 HA ASN 27 HA ASN 27 8.202 -3.973 -0.899 209 HB2 ASN 27 2HB ASN 27 7.333 -5.802 -2.202 210 HB3 ASN 27 3HB ASN 27 5.969 -4.858 -1.611 211 HD21 ASN 27 2HD2 ASN 27 5.476 -5.697 -5.191 212 HD22 ASN 27 1HD2 ASN 27 5.781 -6.605 -3.753 213 H ARG 28 H ARG 28 9.443 -1.843 -2.113 214 HA ARG 28 HA ARG 28 10.958 -3.190 -4.243 215 HB2 ARG 28 2HB ARG 28 10.278 -0.245 -4.230 216 HB3 ARG 28 3HB ARG 28 11.158 -1.118 -5.477 217 HG2 ARG 28 2HG ARG 28 8.732 -2.470 -5.212 218 HG3 ARG 28 3HG ARG 28 8.327 -0.753 -5.150 219 HD2 ARG 28 2HD ARG 28 9.797 -0.490 -7.206 220 HD3 ARG 28 3HD ARG 28 9.780 -2.250 -7.315 221 HE ARG 28 HE ARG 28 7.620 -2.152 -8.078 222 HH11 ARG 28 1HH1 ARG 28 8.508 0.932 -6.728 223 HH12 ARG 28 2HH1 ARG 28 7.080 1.736 -7.290 224 HH21 ARG 28 2HH2 ARG 28 5.503 0.577 -8.480 225 HH22 ARG 28 1HH2 ARG 28 5.736 -1.104 -8.823 226 H ILE 29 H ILE 29 12.916 -1.358 -4.673 227 HA ILE 29 HA ILE 29 14.106 -0.857 -2.031 228 HB ILE 29 HB ILE 29 15.669 -1.962 -4.361 229 HG12 ILE 29 2HG1 ILE 29 15.637 -3.878 -2.342 230 HG13 ILE 29 3HG1 ILE 29 13.970 -3.317 -2.424 231 HG21 ILE 29 1HG2 ILE 29 17.309 -1.066 -3.104 232 HG22 ILE 29 2HG2 ILE 29 16.314 -1.020 -1.650 233 HG23 ILE 29 3HG2 ILE 29 17.092 -2.525 -2.138 234 HD11 ILE 29 3HD1 ILE 29 15.613 -4.495 -4.647 235 HD12 ILE 29 1HD1 ILE 29 14.196 -5.194 -3.863 236 HD13 ILE 29 2HD1 ILE 29 14.027 -3.759 -4.875 237 H SER 30 H SER 30 14.254 1.290 -1.930 238 HA SER 30 HA SER 30 15.346 2.716 -4.268 239 HB2 SER 30 2HB SER 30 13.825 4.301 -2.296 240 HB3 SER 30 3HB SER 30 13.802 4.368 -4.058 241 HG SER 30 HG SER 30 12.529 2.436 -3.999 242 H VAL 31 H VAL 31 16.999 4.143 -3.952 243 HA VAL 31 HA VAL 31 18.287 4.043 -1.324 244 HB VAL 31 HB VAL 31 19.538 5.245 -3.772 245 HG11 VAL 31 1HG1 VAL 31 21.527 4.028 -2.530 246 HG12 VAL 31 2HG1 VAL 31 20.961 5.621 -2.024 247 HG13 VAL 31 3HG1 VAL 31 20.443 4.180 -1.148 248 HG21 VAL 31 3HG2 VAL 31 20.519 2.957 -4.189 249 HG22 VAL 31 1HG2 VAL 31 19.276 2.320 -3.112 250 HG23 VAL 31 2HG2 VAL 31 18.815 3.144 -4.601 251 H ILE 32 H ILE 32 17.426 5.608 -0.064 252 HA ILE 32 HA ILE 32 16.715 8.196 -1.061 253 HB ILE 32 HB ILE 32 17.056 7.345 1.816 254 HG12 ILE 32 2HG1 ILE 32 14.337 7.460 1.200 255 HG13 ILE 32 3HG1 ILE 32 15.062 6.634 -0.175 256 HG21 ILE 32 1HG2 ILE 32 15.035 9.339 1.190 257 HG22 ILE 32 2HG2 ILE 32 16.304 9.358 2.414 258 HG23 ILE 32 3HG2 ILE 32 16.665 9.859 0.762 259 HD11 ILE 32 3HD1 ILE 32 16.092 5.024 1.361 260 HD12 ILE 32 1HD1 ILE 32 15.309 5.837 2.715 261 HD13 ILE 32 2HD1 ILE 32 14.333 5.040 1.481 262 H VAL 33 H VAL 33 18.422 9.319 -1.866 263 HA VAL 33 HA VAL 33 20.840 9.591 -0.240 264 HB VAL 33 HB VAL 33 20.333 10.638 -3.028 265 HG11 VAL 33 1HG1 VAL 33 22.104 11.855 -2.034 266 HG12 VAL 33 2HG1 VAL 33 22.806 10.397 -1.330 267 HG13 VAL 33 3HG1 VAL 33 22.857 10.647 -3.075 268 HG21 VAL 33 3HG2 VAL 33 20.175 8.276 -3.170 269 HG22 VAL 33 1HG2 VAL 33 21.803 8.699 -3.699 270 HG23 VAL 33 2HG2 VAL 33 21.543 8.048 -2.080 271 H PHE 34 H PHE 34 21.234 11.340 0.945 272 HA PHE 34 HA PHE 34 19.421 13.624 0.711 273 HB2 PHE 34 2HB PHE 34 19.528 12.842 2.939 274 HB3 PHE 34 3HB PHE 34 21.280 12.677 2.883 275 HD1 PHE 34 HD1 PHE 34 22.024 14.031 4.617 276 HD2 PHE 34 HD2 PHE 34 19.184 15.557 1.838 277 HE1 PHE 34 HE1 PHE 34 22.266 16.271 5.605 278 HE2 PHE 34 HE2 PHE 34 19.422 17.800 2.821 279 HZ PHE 34 HZ PHE 34 20.965 18.159 4.707 280 H THR 35 H THR 35 20.040 15.517 -0.104 281 HA THR 35 HA THR 35 22.840 16.302 -0.080 282 HB THR 35 HB THR 35 22.493 14.998 -2.206 283 HG1 THR 35 HG1 THR 35 23.989 16.890 -1.863 284 HG21 THR 35 3HG2 THR 35 21.278 16.168 -4.027 285 HG22 THR 35 1HG2 THR 35 20.679 17.327 -2.841 286 HG23 THR 35 2HG2 THR 35 20.219 15.628 -2.725 287 H HIS 36 H HIS 36 23.116 18.550 -0.950 288 HA HIS 36 HA HIS 36 20.792 20.167 -0.169 289 HB2 HIS 36 2HB HIS 36 23.739 20.829 -0.272 290 HB3 HIS 36 3HB HIS 36 22.483 22.011 0.080 291 HD1 HIS 36 HD1 HIS 36 24.640 21.457 2.160 292 HD2 HIS 36 HD2 HIS 36 21.000 19.457 2.033 293 HE1 HIS 36 HE1 HIS 36 24.265 20.594 4.492 294 HA PRO 37 HA PRO 37 20.617 20.863 -4.643 295 HB2 PRO 37 2HB PRO 37 18.061 21.778 -4.610 296 HB3 PRO 37 3HB PRO 37 18.466 20.057 -4.596 297 HG2 PRO 37 2HG PRO 37 17.707 21.844 -2.317 298 HG3 PRO 37 3HG PRO 37 17.178 20.187 -2.664 299 HD2 PRO 37 2HD PRO 37 19.097 20.752 -0.838 300 HD3 PRO 37 3HD PRO 37 19.101 19.258 -1.797 301 H ASP 38 H ASP 38 20.516 22.933 -1.963 302 HA ASP 38 HA ASP 38 20.266 25.345 -3.606 303 HB2 ASP 38 2HB ASP 38 19.797 26.536 -1.657 304 HB3 ASP 38 3HB ASP 38 19.052 24.971 -1.341 305 H SER 39 H SER 39 22.621 23.486 -3.542 306 HA SER 39 HA SER 39 24.644 25.549 -3.024 307 HB2 SER 39 2HB SER 39 24.871 24.157 -1.111 308 HB3 SER 39 3HB SER 39 24.701 22.686 -2.068 309 HG SER 39 HG SER 39 26.927 23.796 -1.373 310 H LYS 40 H LYS 40 25.987 25.838 -4.680 311 HA LYS 40 HA LYS 40 25.742 24.174 -7.020 312 HB2 LYS 40 2HB LYS 40 26.156 26.795 -6.760 313 HB3 LYS 40 3HB LYS 40 27.836 26.283 -6.832 314 HG2 LYS 40 2HG LYS 40 27.269 26.792 -9.038 315 HG3 LYS 40 3HG LYS 40 27.197 25.030 -8.953 316 HD2 LYS 40 2HD LYS 40 24.641 25.936 -8.242 317 HD3 LYS 40 3HD LYS 40 25.128 26.913 -9.629 318 HE2 LYS 40 2HE LYS 40 25.865 24.606 -10.615 319 HE3 LYS 40 3HE LYS 40 24.737 23.959 -9.424 320 HZ1 LYS 40 3HZ LYS 40 23.908 26.111 -11.263 321 HZ2 LYS 40 1HZ LYS 40 22.948 24.987 -10.440 322 HZ3 LYS 40 2HZ LYS 40 23.878 24.495 -11.763 323 H ARG 41 H ARG 41 28.432 25.117 -4.878 324 HA ARG 41 HA ARG 41 30.446 23.604 -5.989 325 HB2 ARG 41 2HB ARG 41 29.882 24.435 -3.158 326 HB3 ARG 41 3HB ARG 41 31.287 23.449 -3.539 327 HG2 ARG 41 2HG ARG 41 32.250 25.138 -4.856 328 HG3 ARG 41 3HG ARG 41 30.741 26.050 -4.929 329 HD2 ARG 41 2HD ARG 41 30.904 26.650 -2.628 330 HD3 ARG 41 3HD ARG 41 32.248 25.537 -2.374 331 HE ARG 41 HE ARG 41 32.402 28.202 -3.357 332 HH11 ARG 41 1HH1 ARG 41 33.858 25.051 -3.616 333 HH12 ARG 41 2HH1 ARG 41 35.407 25.662 -4.095 334 HH21 ARG 41 2HH2 ARG 41 35.735 27.919 -4.304 335 HH22 ARG 41 1HH2 ARG 41 34.437 29.019 -3.987 336 H SER 42 H SER 42 27.780 22.566 -3.986 337 HA SER 42 HA SER 42 28.842 19.822 -3.988 338 HB2 SER 42 2HB SER 42 27.031 21.319 -2.139 339 HB3 SER 42 3HB SER 42 26.836 19.572 -2.280 340 HG SER 42 HG SER 42 29.099 21.031 -1.424 341 H LYS 43 H LYS 43 28.151 19.812 -6.300 342 HA LYS 43 HA LYS 43 25.499 18.644 -6.482 343 HB2 LYS 43 2HB LYS 43 25.364 21.168 -6.965 344 HB3 LYS 43 3HB LYS 43 26.239 20.803 -8.446 345 HG2 LYS 43 2HG LYS 43 24.308 19.013 -8.712 346 HG3 LYS 43 3HG LYS 43 23.450 20.155 -7.675 347 HD2 LYS 43 2HD LYS 43 23.704 21.911 -9.240 348 HD3 LYS 43 3HD LYS 43 24.895 21.004 -10.175 349 HE2 LYS 43 2HE LYS 43 22.051 20.087 -9.824 350 HE3 LYS 43 3HE LYS 43 22.559 21.136 -11.147 351 HZ1 LYS 43 3HZ LYS 43 23.963 19.468 -11.998 352 HZ2 LYS 43 1HZ LYS 43 22.504 18.690 -11.641 353 HZ3 LYS 43 2HZ LYS 43 23.830 18.516 -10.606 354 H GLU 44 H GLU 44 28.476 18.030 -6.832 355 HA GLU 44 HA GLU 44 28.661 17.287 -9.622 356 HB2 GLU 44 2HB GLU 44 30.521 16.588 -7.346 357 HB3 GLU 44 3HB GLU 44 30.868 16.451 -9.064 358 HG2 GLU 44 2HG GLU 44 30.340 19.024 -7.595 359 HG3 GLU 44 3HG GLU 44 31.929 18.407 -8.047 360 H ILE 45 H ILE 45 28.340 15.642 -6.500 361 HA ILE 45 HA ILE 45 28.408 13.008 -7.481 362 HB ILE 45 HB ILE 45 27.246 12.393 -5.368 363 HG12 ILE 45 2HG1 ILE 45 27.147 14.463 -3.735 364 HG13 ILE 45 3HG1 ILE 45 26.947 15.367 -5.232 365 HG21 ILE 45 1HG2 ILE 45 29.153 12.597 -4.158 366 HG22 ILE 45 2HG2 ILE 45 29.789 13.108 -5.721 367 HG23 ILE 45 3HG2 ILE 45 29.331 14.314 -4.520 368 HD11 ILE 45 3HD1 ILE 45 25.027 13.847 -3.754 369 HD12 ILE 45 1HD1 ILE 45 24.787 14.918 -5.134 370 HD13 ILE 45 2HD1 ILE 45 25.168 13.216 -5.395 371 H LYS 46 H LYS 46 26.048 15.425 -7.793 372 HA LYS 46 HA LYS 46 23.684 13.899 -7.825 373 HB2 LYS 46 2HB LYS 46 24.354 16.435 -9.330 374 HB3 LYS 46 3HB LYS 46 22.735 15.776 -9.129 375 HG2 LYS 46 2HG LYS 46 23.895 15.993 -6.557 376 HG3 LYS 46 3HG LYS 46 24.176 17.513 -7.409 377 HD2 LYS 46 2HD LYS 46 21.604 17.087 -8.065 378 HD3 LYS 46 3HD LYS 46 21.650 16.281 -6.495 379 HE2 LYS 46 2HE LYS 46 23.002 18.625 -6.021 380 HE3 LYS 46 3HE LYS 46 21.747 19.124 -7.154 381 HZ1 LYS 46 3HZ LYS 46 21.507 18.531 -4.410 382 HZ2 LYS 46 1HZ LYS 46 20.542 17.455 -5.291 383 HZ3 LYS 46 2HZ LYS 46 20.330 19.123 -5.472 384 H GLU 47 H GLU 47 25.742 14.993 -10.523 385 HA GLU 47 HA GLU 47 24.319 13.563 -12.508 386 HB2 GLU 47 2HB GLU 47 26.088 15.527 -12.664 387 HB3 GLU 47 3HB GLU 47 27.215 14.192 -12.859 388 HG2 GLU 47 2HG GLU 47 26.642 13.936 -14.978 389 HG3 GLU 47 3HG GLU 47 24.936 13.809 -14.555 390 H LYS 48 H LYS 48 27.232 12.831 -10.637 391 HA LYS 48 HA LYS 48 28.067 10.519 -11.888 392 HB2 LYS 48 2HB LYS 48 28.071 11.056 -8.912 393 HB3 LYS 48 3HB LYS 48 29.081 9.885 -9.750 394 HG2 LYS 48 2HG LYS 48 29.782 12.064 -11.109 395 HG3 LYS 48 3HG LYS 48 29.317 12.828 -9.587 396 HD2 LYS 48 2HD LYS 48 30.794 10.852 -8.594 397 HD3 LYS 48 3HD LYS 48 31.557 10.971 -10.182 398 HE2 LYS 48 2HE LYS 48 31.932 13.368 -9.805 399 HE3 LYS 48 3HE LYS 48 31.193 13.227 -8.211 400 HZ1 LYS 48 3HZ LYS 48 33.726 13.141 -8.377 401 HZ2 LYS 48 1HZ LYS 48 33.516 11.567 -8.961 402 HZ3 LYS 48 2HZ LYS 48 32.962 11.976 -7.416 403 H LEU 49 H LEU 49 25.619 10.867 -9.342 404 HA LEU 49 HA LEU 49 25.023 8.058 -9.300 405 HB2 LEU 49 2HB LEU 49 24.771 9.611 -7.351 406 HB3 LEU 49 3HB LEU 49 23.389 10.327 -8.178 407 HG LEU 49 HG LEU 49 22.327 8.036 -8.128 408 HD11 LEU 49 1HD1 LEU 49 23.327 6.274 -7.189 409 HD12 LEU 49 2HD1 LEU 49 23.942 7.225 -5.837 410 HD13 LEU 49 3HD1 LEU 49 24.819 7.199 -7.366 411 HD21 LEU 49 3HD2 LEU 49 22.929 9.595 -5.631 412 HD22 LEU 49 1HD2 LEU 49 21.824 8.220 -5.638 413 HD23 LEU 49 2HD2 LEU 49 21.477 9.634 -6.633 414 H LYS 50 H LYS 50 23.752 10.900 -10.890 415 HA LYS 50 HA LYS 50 21.278 9.850 -11.724 416 HB2 LYS 50 2HB LYS 50 22.181 12.283 -11.808 417 HB3 LYS 50 3HB LYS 50 22.849 11.815 -13.366 418 HG2 LYS 50 2HG LYS 50 20.699 11.400 -14.265 419 HG3 LYS 50 3HG LYS 50 19.939 11.511 -12.676 420 HD2 LYS 50 2HD LYS 50 21.463 13.892 -13.432 421 HD3 LYS 50 3HD LYS 50 20.102 13.545 -14.501 422 HE2 LYS 50 2HE LYS 50 18.617 14.178 -12.961 423 HE3 LYS 50 3HE LYS 50 19.403 13.224 -11.704 424 HZ1 LYS 50 3HZ LYS 50 20.175 15.091 -10.837 425 HZ2 LYS 50 1HZ LYS 50 19.450 16.003 -12.063 426 HZ3 LYS 50 2HZ LYS 50 21.028 15.427 -12.259 427 H LYS 51 H LYS 51 24.496 9.752 -13.170 428 HA LYS 51 HA LYS 51 23.663 8.536 -15.608 429 HB2 LYS 51 2HB LYS 51 26.368 8.701 -14.270 430 HB3 LYS 51 3HB LYS 51 26.108 8.039 -15.879 431 HG2 LYS 51 2HG LYS 51 25.270 10.193 -16.645 432 HG3 LYS 51 3HG LYS 51 25.491 10.862 -15.027 433 HD2 LYS 51 2HD LYS 51 27.561 11.425 -15.620 434 HD3 LYS 51 3HD LYS 51 27.948 9.704 -15.702 435 HE2 LYS 51 2HE LYS 51 26.666 10.155 -18.088 436 HE3 LYS 51 3HE LYS 51 27.566 11.651 -17.845 437 HZ1 LYS 51 3HZ LYS 51 29.557 10.588 -17.995 438 HZ2 LYS 51 1HZ LYS 51 28.648 9.582 -19.007 439 HZ3 LYS 51 2HZ LYS 51 28.963 9.115 -17.412 440 H LEU 52 H LEU 52 24.699 7.333 -12.482 441 HA LEU 52 HA LEU 52 25.264 4.689 -13.104 442 HB2 LEU 52 2HB LEU 52 25.707 5.575 -10.920 443 HB3 LEU 52 3HB LEU 52 23.993 5.876 -10.645 444 HG LEU 52 HG LEU 52 24.794 3.069 -11.147 445 HD11 LEU 52 1HD1 LEU 52 25.515 4.583 -8.650 446 HD12 LEU 52 2HD1 LEU 52 26.580 3.645 -9.696 447 HD13 LEU 52 3HD1 LEU 52 25.364 2.827 -8.715 448 HD21 LEU 52 3HD2 LEU 52 23.120 2.727 -9.330 449 HD22 LEU 52 1HD2 LEU 52 22.486 3.555 -10.752 450 HD23 LEU 52 2HD2 LEU 52 22.874 4.474 -9.298 451 H ALA 53 H ALA 53 22.231 6.341 -13.027 452 HA ALA 53 HA ALA 53 20.438 4.264 -12.600 453 HB1 ALA 53 1HB ALA 53 18.806 5.686 -13.335 454 HB2 ALA 53 2HB ALA 53 20.098 6.843 -13.011 455 HB3 ALA 53 3HB ALA 53 19.788 6.307 -14.662 456 H GLU 54 H GLU 54 22.485 4.890 -15.307 457 HA GLU 54 HA GLU 54 20.986 3.224 -17.135 458 HB2 GLU 54 2HB GLU 54 22.347 5.231 -17.838 459 HB3 GLU 54 3HB GLU 54 23.789 4.292 -17.479 460 HG2 GLU 54 2HG GLU 54 23.724 3.464 -19.523 461 HG3 GLU 54 3HG GLU 54 22.189 2.687 -19.139 462 H GLU 55 H GLU 55 23.920 2.993 -15.188 463 HA GLU 55 HA GLU 55 24.858 0.541 -16.175 464 HB2 GLU 55 2HB GLU 55 26.426 0.656 -14.525 465 HB3 GLU 55 3HB GLU 55 25.866 2.321 -14.465 466 HG2 GLU 55 2HG GLU 55 25.831 1.784 -12.251 467 HG3 GLU 55 3HG GLU 55 24.178 1.374 -12.707 468 H PHE 56 H PHE 56 22.265 1.308 -14.021 469 HA PHE 56 HA PHE 56 21.309 -1.382 -14.061 470 HB2 PHE 56 2HB PHE 56 23.126 -1.316 -12.230 471 HB3 PHE 56 3HB PHE 56 21.972 -0.356 -11.311 472 HD1 PHE 56 HD1 PHE 56 21.566 -3.354 -13.491 473 HD2 PHE 56 HD2 PHE 56 21.114 -1.649 -9.617 474 HE1 PHE 56 HE1 PHE 56 20.477 -5.418 -12.713 475 HE2 PHE 56 HE2 PHE 56 20.025 -3.711 -8.833 476 HZ PHE 56 HZ PHE 56 19.706 -5.600 -10.381 477 HA PRO 57 HA PRO 57 18.136 1.953 -13.598 478 HB2 PRO 57 2HB PRO 57 16.534 1.009 -15.575 479 HB3 PRO 57 3HB PRO 57 17.892 2.099 -15.877 480 HG2 PRO 57 2HG PRO 57 17.746 -0.875 -16.184 481 HG3 PRO 57 3HG PRO 57 18.479 0.326 -17.263 482 HD2 PRO 57 2HD PRO 57 19.939 -1.171 -15.543 483 HD3 PRO 57 3HD PRO 57 20.394 0.486 -15.990 484 H ASP 58 H ASP 58 18.296 -1.410 -13.240 485 HA ASP 58 HA ASP 58 15.657 -2.170 -12.812 486 HB2 ASP 58 2HB ASP 58 16.939 -4.036 -12.711 487 HB3 ASP 58 3HB ASP 58 18.310 -3.177 -12.014 488 H VAL 59 H VAL 59 17.757 -0.223 -10.871 489 HA VAL 59 HA VAL 59 15.834 -0.296 -8.645 490 HB VAL 59 HB VAL 59 18.289 -0.787 -8.202 491 HG11 VAL 59 1HG1 VAL 59 18.540 2.193 -8.592 492 HG12 VAL 59 2HG1 VAL 59 19.805 1.094 -8.038 493 HG13 VAL 59 3HG1 VAL 59 19.184 0.968 -9.684 494 HG21 VAL 59 3HG2 VAL 59 16.585 -0.090 -6.495 495 HG22 VAL 59 1HG2 VAL 59 18.255 0.302 -6.084 496 HG23 VAL 59 2HG2 VAL 59 17.174 1.562 -6.679 497 H ASP 60 H ASP 60 15.366 1.752 -7.563 498 HA ASP 60 HA ASP 60 15.244 3.965 -9.499 499 HB2 ASP 60 2HB ASP 60 13.406 4.731 -7.754 500 HB3 ASP 60 3HB ASP 60 13.032 3.562 -9.018 501 H ILE 61 H ILE 61 17.004 5.193 -9.109 502 HA ILE 61 HA ILE 61 17.666 5.882 -6.338 503 HB ILE 61 HB ILE 61 19.309 6.768 -8.674 504 HG12 ILE 61 2HG1 ILE 61 20.559 4.472 -8.023 505 HG13 ILE 61 3HG1 ILE 61 18.891 3.982 -7.742 506 HG21 ILE 61 1HG2 ILE 61 21.136 6.459 -7.041 507 HG22 ILE 61 2HG2 ILE 61 19.909 7.597 -6.490 508 HG23 ILE 61 3HG2 ILE 61 19.945 5.958 -5.841 509 HD11 ILE 61 3HD1 ILE 61 18.436 3.886 -9.921 510 HD12 ILE 61 1HD1 ILE 61 19.298 5.385 -10.267 511 HD13 ILE 61 2HD1 ILE 61 20.187 3.868 -10.129 512 H TYR 62 H TYR 62 16.373 7.517 -5.696 513 HA TYR 62 HA TYR 62 16.185 9.881 -7.442 514 HB2 TYR 62 2HB TYR 62 14.169 10.468 -6.084 515 HB3 TYR 62 3HB TYR 62 14.001 8.971 -6.995 516 HD1 TYR 62 HD1 TYR 62 15.039 10.161 -3.608 517 HD2 TYR 62 HD2 TYR 62 13.170 7.109 -5.907 518 HE1 TYR 62 HE1 TYR 62 14.440 8.977 -1.537 519 HE2 TYR 62 HE2 TYR 62 12.565 5.916 -3.843 520 HH TYR 62 HH TYR 62 12.600 5.938 -1.626 521 H LEU 63 H LEU 63 15.917 11.971 -6.176 522 HA LEU 63 HA LEU 63 17.950 12.024 -4.056 523 HB2 LEU 63 2HB LEU 63 16.940 14.167 -5.914 524 HB3 LEU 63 3HB LEU 63 18.046 14.474 -4.576 525 HG LEU 63 HG LEU 63 18.715 12.549 -6.786 526 HD11 LEU 63 1HD1 LEU 63 19.766 14.253 -8.014 527 HD12 LEU 63 2HD1 LEU 63 19.573 15.427 -6.713 528 HD13 LEU 63 3HD1 LEU 63 18.165 14.882 -7.625 529 HD21 LEU 63 3HD2 LEU 63 20.529 12.214 -5.557 530 HD22 LEU 63 1HD2 LEU 63 19.958 13.374 -4.357 531 HD23 LEU 63 2HD2 LEU 63 20.940 13.922 -5.716 532 H VAL 64 H VAL 64 17.619 13.275 -2.174 533 HA VAL 64 HA VAL 64 14.853 14.118 -1.655 534 HB VAL 64 HB VAL 64 16.485 12.547 0.339 535 HG11 VAL 64 1HG1 VAL 64 13.636 13.521 0.300 536 HG12 VAL 64 2HG1 VAL 64 14.250 12.339 1.457 537 HG13 VAL 64 3HG1 VAL 64 14.916 13.973 1.426 538 HG21 VAL 64 3HG2 VAL 64 16.018 10.878 -1.162 539 HG22 VAL 64 1HG2 VAL 64 14.550 10.842 -0.185 540 HG23 VAL 64 2HG2 VAL 64 14.550 11.663 -1.746 541 H ASP 65 H ASP 65 14.632 15.909 -0.391 542 HA ASP 65 HA ASP 65 17.129 17.170 0.539 543 HB2 ASP 65 2HB ASP 65 15.499 19.285 0.343 544 HB3 ASP 65 3HB ASP 65 16.461 18.704 -1.014 545 H THR 66 H THR 66 17.321 17.369 2.661 546 HA THR 66 HA THR 66 15.477 16.540 4.538 547 HB THR 66 HB THR 66 16.796 18.099 6.137 548 HG1 THR 66 HG1 THR 66 17.901 19.502 4.954 549 HG21 THR 66 3HG2 THR 66 18.064 15.871 4.551 550 HG22 THR 66 1HG2 THR 66 17.244 15.758 6.108 551 HG23 THR 66 2HG2 THR 66 18.801 16.578 5.989 552 H SER 67 H SER 67 15.687 19.579 2.885 553 HA SER 67 HA SER 67 14.374 21.311 4.576 554 HB2 SER 67 2HB SER 67 15.267 21.478 2.022 555 HB3 SER 67 3HB SER 67 13.525 21.451 1.744 556 HG SER 67 HG SER 67 14.801 23.197 3.579 557 H THR 68 H THR 68 13.079 18.657 2.730 558 HA THR 68 HA THR 68 10.335 19.418 3.416 559 HB THR 68 HB THR 68 9.795 17.331 1.996 560 HG1 THR 68 HG1 THR 68 11.795 16.388 1.807 561 HG21 THR 68 3HG2 THR 68 9.586 19.769 1.324 562 HG22 THR 68 1HG2 THR 68 9.769 18.615 0.004 563 HG23 THR 68 2HG2 THR 68 11.146 19.585 0.524 564 H ASN 69 H ASN 69 12.805 17.073 4.148 565 HA ASN 69 HA ASN 69 11.002 15.870 6.140 566 HB2 ASN 69 2HB ASN 69 12.111 13.698 5.770 567 HB3 ASN 69 3HB ASN 69 11.313 14.278 4.310 568 HD21 ASN 69 2HD2 ASN 69 15.056 13.189 4.076 569 HD22 ASN 69 1HD2 ASN 69 13.895 12.680 5.250 570 HA PRO 70 HA PRO 70 14.911 17.569 8.062 571 HB2 PRO 70 2HB PRO 70 13.645 19.049 9.954 572 HB3 PRO 70 3HB PRO 70 14.014 19.666 8.339 573 HG2 PRO 70 2HG PRO 70 11.441 18.568 9.406 574 HG3 PRO 70 3HG PRO 70 11.712 19.990 8.381 575 HD2 PRO 70 2HD PRO 70 10.869 17.617 7.386 576 HD3 PRO 70 3HD PRO 70 11.900 18.728 6.462 577 H GLU 71 H GLU 71 11.882 16.576 9.655 578 HA GLU 71 HA GLU 71 12.996 15.754 12.081 579 HB2 GLU 71 2HB GLU 71 10.455 15.390 10.669 580 HB3 GLU 71 3HB GLU 71 10.864 14.050 11.730 581 HG2 GLU 71 2HG GLU 71 10.870 15.400 13.632 582 HG3 GLU 71 3HG GLU 71 10.975 16.884 12.687 583 H ALA 72 H ALA 72 12.970 14.241 8.970 584 HA ALA 72 HA ALA 72 13.390 11.565 9.738 585 HB1 ALA 72 1HB ALA 72 13.337 13.062 7.311 586 HB2 ALA 72 2HB ALA 72 14.764 12.025 7.315 587 HB3 ALA 72 3HB ALA 72 13.163 11.322 7.546 588 H ARG 73 H ARG 73 15.640 14.226 9.114 589 HA ARG 73 HA ARG 73 18.046 12.887 9.163 590 HB2 ARG 73 2HB ARG 73 17.150 15.626 9.723 591 HB3 ARG 73 3HB ARG 73 18.647 15.184 10.533 592 HG2 ARG 73 2HG ARG 73 18.539 14.423 7.709 593 HG3 ARG 73 3HG ARG 73 18.464 16.161 8.005 594 HD2 ARG 73 2HD ARG 73 20.451 15.067 9.709 595 HD3 ARG 73 3HD ARG 73 20.722 14.433 8.086 596 HE ARG 73 HE ARG 73 21.305 16.543 7.386 597 HH11 ARG 73 1HH1 ARG 73 19.844 16.719 10.540 598 HH12 ARG 73 2HH1 ARG 73 20.264 18.381 10.786 599 HH21 ARG 73 2HH2 ARG 73 21.412 19.526 9.167 600 HH22 ARG 73 1HH2 ARG 73 21.864 18.732 7.697 601 H GLU 74 H GLU 74 16.628 14.530 11.999 602 HA GLU 74 HA GLU 74 18.359 13.383 13.876 603 HB2 GLU 74 2HB GLU 74 15.589 14.542 14.161 604 HB3 GLU 74 3HB GLU 74 16.544 14.007 15.537 605 HG2 GLU 74 2HG GLU 74 17.740 15.942 13.620 606 HG3 GLU 74 3HG GLU 74 16.544 16.511 14.783 607 H TRP 75 H TRP 75 15.457 12.182 12.390 608 HA TRP 75 HA TRP 75 14.612 10.259 14.178 609 HB2 TRP 75 2HB TRP 75 13.737 10.955 11.790 610 HB3 TRP 75 3HB TRP 75 14.704 9.579 11.266 611 HD1 TRP 75 HD1 TRP 75 14.105 7.290 13.055 612 HE1 TRP 75 HE1 TRP 75 11.739 6.367 13.474 613 HE3 TRP 75 HE3 TRP 75 11.382 11.406 11.723 614 HZ2 TRP 75 HZ2 TRP 75 9.071 7.266 13.267 615 HZ3 TRP 75 HZ3 TRP 75 8.928 11.292 11.861 616 HH2 TRP 75 HH2 TRP 75 7.798 9.264 12.617 617 H TYR 76 H TYR 76 17.379 10.214 12.036 618 HA TYR 76 HA TYR 76 18.183 7.645 13.231 619 HB2 TYR 76 2HB TYR 76 17.452 7.428 10.833 620 HB3 TYR 76 3HB TYR 76 18.788 8.484 10.391 621 HD1 TYR 76 HD1 TYR 76 18.624 5.669 12.835 622 HD2 TYR 76 HD2 TYR 76 20.316 7.177 9.235 623 HE1 TYR 76 HE1 TYR 76 20.122 3.721 12.730 624 HE2 TYR 76 HE2 TYR 76 21.818 5.233 9.119 625 HH TYR 76 HH TYR 76 21.381 2.473 10.735 626 H ASN 77 H ASN 77 18.803 10.773 13.293 627 HA ASN 77 HA ASN 77 20.609 12.107 13.690 628 HB2 ASN 77 2HB ASN 77 22.235 9.808 14.639 629 HB3 ASN 77 3HB ASN 77 21.930 11.364 15.405 630 HD21 ASN 77 2HD2 ASN 77 20.060 8.241 16.790 631 HD22 ASN 77 1HD2 ASN 77 21.569 8.275 15.948 632 H ILE 78 H ILE 78 21.152 12.592 11.553 633 HA ILE 78 HA ILE 78 23.343 11.001 10.396 634 HB ILE 78 HB ILE 78 21.321 12.803 9.072 635 HG12 ILE 78 2HG1 ILE 78 21.646 10.229 7.865 636 HG13 ILE 78 3HG1 ILE 78 21.432 10.013 9.598 637 HG21 ILE 78 1HG2 ILE 78 23.813 11.559 7.928 638 HG22 ILE 78 2HG2 ILE 78 22.491 12.189 6.946 639 HG23 ILE 78 3HG2 ILE 78 23.399 13.272 8.001 640 HD11 ILE 78 3HD1 ILE 78 19.573 11.900 8.338 641 HD12 ILE 78 1HD1 ILE 78 19.415 10.220 7.826 642 HD13 ILE 78 2HD1 ILE 78 19.282 10.638 9.535 643 H THR 79 H THR 79 25.299 11.884 10.214 644 HA THR 79 HA THR 79 25.562 14.778 10.705 645 HB THR 79 HB THR 79 27.842 14.313 11.510 646 HG1 THR 79 HG1 THR 79 28.458 12.123 11.813 647 HG21 THR 79 3HG2 THR 79 26.559 12.422 13.249 648 HG22 THR 79 1HG2 THR 79 25.425 13.699 12.812 649 HG23 THR 79 2HG2 THR 79 26.973 14.109 13.552 650 H SER 80 H SER 80 25.869 12.389 8.370 651 HA SER 80 HA SER 80 27.786 14.008 6.824 652 HB2 SER 80 2HB SER 80 27.747 11.669 5.470 653 HB3 SER 80 3HB SER 80 28.871 12.005 6.787 654 HG SER 80 HG SER 80 26.525 10.453 6.798 655 H VAL 81 H VAL 81 26.583 15.356 5.621 656 HA VAL 81 HA VAL 81 24.053 15.261 4.745 657 HB VAL 81 HB VAL 81 25.656 16.052 2.481 658 HG11 VAL 81 1HG1 VAL 81 23.411 16.898 3.126 659 HG12 VAL 81 2HG1 VAL 81 24.159 17.723 4.495 660 HG13 VAL 81 3HG1 VAL 81 24.594 18.176 2.847 661 HG21 VAL 81 3HG2 VAL 81 27.477 16.150 4.121 662 HG22 VAL 81 1HG2 VAL 81 27.021 17.757 3.557 663 HG23 VAL 81 2HG2 VAL 81 26.494 17.198 5.144 664 HA PRO 82 HA PRO 82 25.120 12.622 0.839 665 HB2 PRO 82 2HB PRO 82 27.578 11.474 0.746 666 HB3 PRO 82 3HB PRO 82 27.245 13.085 0.100 667 HG2 PRO 82 2HG PRO 82 28.467 12.311 2.721 668 HG3 PRO 82 3HG PRO 82 28.952 13.594 1.595 669 HD2 PRO 82 2HD PRO 82 27.507 14.087 3.832 670 HD3 PRO 82 3HD PRO 82 27.322 15.041 2.346 671 H THR 83 H THR 83 23.646 11.485 2.398 672 HA THR 83 HA THR 83 24.853 9.031 3.481 673 HB THR 83 HB THR 83 22.062 9.465 4.193 674 HG1 THR 83 HG1 THR 83 22.199 11.505 4.707 675 HG21 THR 83 3HG2 THR 83 22.757 8.728 6.271 676 HG22 THR 83 1HG2 THR 83 24.358 9.448 6.109 677 HG23 THR 83 2HG2 THR 83 23.957 7.980 5.217 678 H PHE 84 H PHE 84 23.985 7.015 3.001 679 HA PHE 84 HA PHE 84 21.980 6.944 0.848 680 HB2 PHE 84 2HB PHE 84 24.689 5.712 0.947 681 HB3 PHE 84 3HB PHE 84 23.397 4.779 0.199 682 HD1 PHE 84 HD1 PHE 84 23.243 4.959 -2.073 683 HD2 PHE 84 HD2 PHE 84 24.614 8.311 0.163 684 HE1 PHE 84 HE1 PHE 84 23.537 6.227 -4.161 685 HE2 PHE 84 HE2 PHE 84 24.909 9.584 -1.922 686 HZ PHE 84 HZ PHE 84 24.370 8.543 -4.087 687 H VAL 85 H VAL 85 20.236 6.144 1.853 688 HA VAL 85 HA VAL 85 20.576 3.830 3.637 689 HB VAL 85 HB VAL 85 18.051 5.444 3.393 690 HG11 VAL 85 1HG1 VAL 85 19.122 4.024 5.809 691 HG12 VAL 85 2HG1 VAL 85 17.461 4.496 5.445 692 HG13 VAL 85 3HG1 VAL 85 18.216 3.167 4.563 693 HG21 VAL 85 3HG2 VAL 85 20.603 6.240 4.596 694 HG22 VAL 85 1HG2 VAL 85 19.213 7.219 4.124 695 HG23 VAL 85 2HG2 VAL 85 19.214 6.378 5.674 696 H ILE 86 H ILE 86 19.722 1.899 3.134 697 HA ILE 86 HA ILE 86 18.023 1.743 0.730 698 HB ILE 86 HB ILE 86 19.689 -0.577 1.608 699 HG12 ILE 86 2HG1 ILE 86 20.682 1.729 -0.082 700 HG13 ILE 86 3HG1 ILE 86 21.254 1.313 1.530 701 HG21 ILE 86 1HG2 ILE 86 17.980 0.070 -0.574 702 HG22 ILE 86 2HG2 ILE 86 19.609 -0.192 -1.194 703 HG23 ILE 86 3HG2 ILE 86 18.818 -1.445 -0.238 704 HD11 ILE 86 3HD1 ILE 86 22.865 0.250 0.399 705 HD12 ILE 86 1HD1 ILE 86 21.655 -1.024 0.247 706 HD13 ILE 86 2HD1 ILE 86 21.899 0.124 -1.070 707 H GLU 87 H GLU 87 16.018 1.141 1.176 708 HA GLU 87 HA GLU 87 15.544 -0.567 3.527 709 HB2 GLU 87 2HB GLU 87 13.516 0.485 3.882 710 HB3 GLU 87 3HB GLU 87 14.498 1.812 3.277 711 HG2 GLU 87 2HG GLU 87 12.463 0.211 1.750 712 HG3 GLU 87 3HG GLU 87 12.357 1.904 2.229 713 H LYS 88 H LYS 88 13.381 -1.834 3.252 714 HA LYS 88 HA LYS 88 12.661 -2.705 0.645 715 HB2 LYS 88 2HB LYS 88 14.923 -3.788 0.960 716 HB3 LYS 88 3HB LYS 88 14.215 -4.718 2.273 717 HG2 LYS 88 2HG LYS 88 12.755 -4.813 -0.280 718 HG3 LYS 88 3HG LYS 88 14.351 -5.567 -0.275 719 HD2 LYS 88 2HD LYS 88 13.596 -7.316 0.879 720 HD3 LYS 88 3HD LYS 88 12.871 -6.269 2.101 721 HE2 LYS 88 2HE LYS 88 10.878 -6.020 0.773 722 HE3 LYS 88 3HE LYS 88 11.611 -6.905 -0.564 723 HZ1 LYS 88 3HZ LYS 88 11.551 -8.900 0.656 724 HZ2 LYS 88 1HZ LYS 88 10.031 -8.193 0.881 725 HZ3 LYS 88 2HZ LYS 88 11.191 -8.111 2.108 726 H GLY 89 H GLY 89 10.555 -3.010 0.927 727 HA2 GLY 89 2HA GLY 89 8.618 -4.009 1.706 728 HA3 GLY 89 3HA GLY 89 9.592 -4.927 2.844 729 H GLY 90 H GLY 90 10.467 -1.774 3.213 730 HA2 GLY 90 2HA GLY 90 9.437 -0.002 4.451 731 HA3 GLY 90 3HA GLY 90 8.307 -1.172 5.116 732 H GLU 91 H GLU 91 11.824 -1.466 4.909 733 HA GLU 91 HA GLU 91 12.252 -0.800 7.659 734 HB2 GLU 91 2HB GLU 91 11.641 -3.552 6.948 735 HB3 GLU 91 3HB GLU 91 13.224 -3.409 7.699 736 HG2 GLU 91 2HG GLU 91 11.780 -1.890 9.378 737 HG3 GLU 91 3HG GLU 91 10.540 -3.023 8.843 738 HA PRO 92 HA PRO 92 16.350 -0.205 6.208 739 HB2 PRO 92 2HB PRO 92 17.791 -0.621 8.472 740 HB3 PRO 92 3HB PRO 92 16.791 0.815 8.219 741 HG2 PRO 92 2HG PRO 92 16.176 -1.673 9.766 742 HG3 PRO 92 3HG PRO 92 15.864 0.019 10.197 743 HD2 PRO 92 2HD PRO 92 13.940 -1.612 9.210 744 HD3 PRO 92 3HD PRO 92 13.969 0.134 8.890 745 H LEU 93 H LEU 93 17.636 -1.462 5.024 746 HA LEU 93 HA LEU 93 18.049 -4.251 5.875 747 HB2 LEU 93 2HB LEU 93 16.836 -3.732 3.690 748 HB3 LEU 93 3HB LEU 93 18.403 -3.202 3.083 749 HG LEU 93 HG LEU 93 19.243 -5.533 3.663 750 HD11 LEU 93 1HD1 LEU 93 17.842 -7.184 4.305 751 HD12 LEU 93 2HD1 LEU 93 16.470 -6.517 3.421 752 HD13 LEU 93 3HD1 LEU 93 16.930 -5.834 4.980 753 HD21 LEU 93 3HD2 LEU 93 18.843 -6.206 1.527 754 HD22 LEU 93 1HD2 LEU 93 18.351 -4.518 1.380 755 HD23 LEU 93 2HD2 LEU 93 17.133 -5.776 1.591 756 H GLY 94 H GLY 94 19.620 -1.370 4.581 757 HA2 GLY 94 2HA GLY 94 22.143 -2.269 5.715 758 HA3 GLY 94 3HA GLY 94 22.124 -2.068 3.969 759 H GLU 95 H GLU 95 23.843 -0.490 4.474 760 HA GLU 95 HA GLU 95 22.802 2.157 4.404 761 HB2 GLU 95 2HB GLU 95 23.638 3.049 6.435 762 HB3 GLU 95 3HB GLU 95 22.737 1.604 6.872 763 HG2 GLU 95 2HG GLU 95 25.063 0.445 6.719 764 HG3 GLU 95 3HG GLU 95 25.677 2.086 6.910 765 H VAL 96 H VAL 96 24.379 3.715 3.844 766 HA VAL 96 HA VAL 96 27.136 2.850 3.525 767 HB VAL 96 HB VAL 96 25.453 3.656 1.147 768 HG11 VAL 96 1HG1 VAL 96 27.574 3.219 -0.124 769 HG12 VAL 96 2HG1 VAL 96 27.597 4.659 0.895 770 HG13 VAL 96 3HG1 VAL 96 28.416 3.189 1.425 771 HG21 VAL 96 3HG2 VAL 96 25.069 1.358 1.691 772 HG22 VAL 96 1HG2 VAL 96 26.146 1.410 0.296 773 HG23 VAL 96 2HG2 VAL 96 26.795 1.062 1.898 774 H LYS 97 H LYS 97 28.592 4.537 3.365 775 HA LYS 97 HA LYS 97 27.658 7.254 3.023 776 HB2 LYS 97 2HB LYS 97 28.215 8.087 5.145 777 HB3 LYS 97 3HB LYS 97 27.336 6.601 5.482 778 HG2 LYS 97 2HG LYS 97 29.820 5.619 5.425 779 HG3 LYS 97 3HG LYS 97 30.176 7.272 5.931 780 HD2 LYS 97 2HD LYS 97 28.111 5.536 7.272 781 HD3 LYS 97 3HD LYS 97 29.793 5.626 7.799 782 HE2 LYS 97 2HE LYS 97 28.792 7.191 9.164 783 HE3 LYS 97 3HE LYS 97 29.356 8.194 7.829 784 HZ1 LYS 97 3HZ LYS 97 26.874 8.267 8.756 785 HZ2 LYS 97 1HZ LYS 97 26.682 7.088 7.557 786 HZ3 LYS 97 2HZ LYS 97 27.267 8.622 7.149 787 H GLY 98 H GLY 98 29.216 8.563 2.210 788 HA2 GLY 98 2HA GLY 98 31.624 9.173 2.267 789 HA3 GLY 98 3HA GLY 98 31.955 7.453 2.115 790 HA PRO 99 HA PRO 99 31.574 9.696 -2.082 791 HB2 PRO 99 2HB PRO 99 34.214 9.950 -2.662 792 HB3 PRO 99 3HB PRO 99 33.291 11.202 -1.822 793 HG2 PRO 99 2HG PRO 99 35.121 9.119 -0.694 794 HG3 PRO 99 3HG PRO 99 34.983 10.835 -0.270 795 HD2 PRO 99 2HD PRO 99 33.860 8.872 1.219 796 HD3 PRO 99 3HD PRO 99 33.137 10.486 1.066 797 H ASP 100 H ASP 100 30.798 7.457 -2.395 798 HA ASP 100 HA ASP 100 32.769 5.915 -3.918 799 HB2 ASP 100 2HB ASP 100 32.083 3.822 -2.928 800 HB3 ASP 100 3HB ASP 100 32.576 4.917 -1.640 801 H ILE 101 H ILE 101 30.975 7.575 -5.086 802 HA ILE 101 HA ILE 101 28.459 6.506 -5.694 803 HB ILE 101 HB ILE 101 30.249 8.399 -7.197 804 HG12 ILE 101 2HG1 ILE 101 29.192 9.207 -5.123 805 HG13 ILE 101 3HG1 ILE 101 28.567 10.048 -6.537 806 HG21 ILE 101 1HG2 ILE 101 27.759 7.072 -8.092 807 HG22 ILE 101 2HG2 ILE 101 27.914 8.797 -8.420 808 HG23 ILE 101 3HG2 ILE 101 29.127 7.672 -9.030 809 HD11 ILE 101 3HD1 ILE 101 27.225 7.987 -4.834 810 HD12 ILE 101 1HD1 ILE 101 26.690 9.619 -5.235 811 HD13 ILE 101 2HD1 ILE 101 26.657 8.353 -6.463 812 H ASP 102 H ASP 102 31.631 5.828 -6.979 813 HA ASP 102 HA ASP 102 30.664 4.367 -9.262 814 HB2 ASP 102 2HB ASP 102 33.170 5.382 -8.367 815 HB3 ASP 102 3HB ASP 102 33.353 3.649 -8.630 816 H LYS 103 H LYS 103 32.150 3.510 -6.149 817 HA LYS 103 HA LYS 103 31.967 0.702 -6.566 818 HB2 LYS 103 2HB LYS 103 33.511 1.941 -4.953 819 HB3 LYS 103 3HB LYS 103 32.119 2.075 -3.887 820 HG2 LYS 103 2HG LYS 103 31.935 -0.417 -3.951 821 HG3 LYS 103 3HG LYS 103 33.467 -0.445 -4.828 822 HD2 LYS 103 2HD LYS 103 34.075 1.154 -2.706 823 HD3 LYS 103 3HD LYS 103 32.925 0.027 -1.983 824 HE2 LYS 103 2HE LYS 103 34.566 -1.460 -1.817 825 HE3 LYS 103 3HE LYS 103 34.635 -1.524 -3.578 826 HZ1 LYS 103 3HZ LYS 103 36.665 -0.761 -1.983 827 HZ2 LYS 103 1HZ LYS 103 36.008 0.734 -2.427 828 HZ3 LYS 103 2HZ LYS 103 36.520 -0.351 -3.618 829 H LEU 104 H LEU 104 29.702 3.086 -5.665 830 HA LEU 104 HA LEU 104 27.972 1.802 -3.950 831 HB2 LEU 104 2HB LEU 104 27.778 4.141 -4.773 832 HB3 LEU 104 3HB LEU 104 27.160 3.510 -6.298 833 HG LEU 104 HG LEU 104 25.420 2.378 -4.574 834 HD11 LEU 104 1HD1 LEU 104 26.596 3.632 -2.706 835 HD12 LEU 104 2HD1 LEU 104 24.845 3.813 -2.804 836 HD13 LEU 104 3HD1 LEU 104 25.897 5.099 -3.393 837 HD21 LEU 104 3HD2 LEU 104 24.799 5.172 -5.308 838 HD22 LEU 104 1HD2 LEU 104 23.893 3.689 -5.606 839 HD23 LEU 104 2HD2 LEU 104 25.274 4.097 -6.624 840 H ARG 105 H ARG 105 28.463 1.274 -7.371 841 HA ARG 105 HA ARG 105 26.139 -0.189 -7.939 842 HB2 ARG 105 2HB ARG 105 27.358 -1.057 -9.867 843 HB3 ARG 105 3HB ARG 105 27.650 0.666 -9.675 844 HG2 ARG 105 2HG ARG 105 29.759 -0.132 -8.358 845 HG3 ARG 105 3HG ARG 105 29.503 -1.628 -9.259 846 HD2 ARG 105 2HD ARG 105 29.516 -0.321 -11.357 847 HD3 ARG 105 3HD ARG 105 29.871 1.130 -10.422 848 HE ARG 105 HE ARG 105 32.052 0.469 -10.322 849 HH11 ARG 105 1HH1 ARG 105 30.082 -2.294 -11.103 850 HH12 ARG 105 2HH1 ARG 105 31.433 -3.346 -11.366 851 HH21 ARG 105 2HH2 ARG 105 33.569 -2.557 -11.115 852 HH22 ARG 105 1HH2 ARG 105 33.838 -0.907 -10.665 853 H GLU 106 H GLU 106 29.244 -1.162 -6.586 854 HA GLU 106 HA GLU 106 28.378 -3.947 -6.454 855 HB2 GLU 106 2HB GLU 106 30.649 -4.442 -5.748 856 HB3 GLU 106 3HB GLU 106 30.675 -3.450 -7.199 857 HG2 GLU 106 2HG GLU 106 31.349 -1.540 -6.016 858 HG3 GLU 106 3HG GLU 106 30.946 -2.263 -4.459 859 H THR 107 H THR 107 28.513 -1.145 -4.511 860 HA THR 107 HA THR 107 28.624 -2.516 -1.976 861 HB THR 107 HB THR 107 27.720 0.330 -2.365 862 HG1 THR 107 HG1 THR 107 30.377 -0.700 -2.355 863 HG21 THR 107 3HG2 THR 107 29.305 0.277 -0.175 864 HG22 THR 107 1HG2 THR 107 28.647 -1.358 -0.131 865 HG23 THR 107 2HG2 THR 107 27.559 0.030 -0.129 866 H LEU 108 H LEU 108 26.168 -1.388 -4.168 867 HA LEU 108 HA LEU 108 24.038 -1.658 -2.223 868 HB2 LEU 108 2HB LEU 108 22.734 -0.558 -3.695 869 HB3 LEU 108 3HB LEU 108 24.292 -0.081 -4.365 870 HG LEU 108 HG LEU 108 23.907 -2.267 -5.824 871 HD11 LEU 108 1HD1 LEU 108 21.377 -2.093 -6.452 872 HD12 LEU 108 2HD1 LEU 108 21.212 -1.511 -4.796 873 HD13 LEU 108 3HD1 LEU 108 21.894 -3.107 -5.104 874 HD21 LEU 108 3HD2 LEU 108 22.348 -0.411 -7.180 875 HD22 LEU 108 1HD2 LEU 108 24.099 -0.596 -7.279 876 HD23 LEU 108 2HD2 LEU 108 23.398 0.561 -6.148 877 H ASP 109 H ASP 109 25.602 -3.581 -4.621 878 HA ASP 109 HA ASP 109 23.470 -5.461 -4.983 879 HB2 ASP 109 2HB ASP 109 24.889 -5.513 -6.798 880 HB3 ASP 109 3HB ASP 109 26.330 -5.282 -5.812 881 H GLU 110 H GLU 110 26.515 -5.464 -3.149 882 HA GLU 110 HA GLU 110 26.386 -8.013 -2.080 883 HB2 GLU 110 2HB GLU 110 27.404 -5.533 -0.684 884 HB3 GLU 110 3HB GLU 110 27.828 -7.193 -0.290 885 HG2 GLU 110 2HG GLU 110 28.324 -6.348 -3.070 886 HG3 GLU 110 3HG GLU 110 29.330 -5.601 -1.831 887 H LEU 111 H LEU 111 24.473 -5.239 -1.349 888 HA LEU 111 HA LEU 111 23.423 -6.482 1.089 889 HB2 LEU 111 2HB LEU 111 24.007 -4.195 1.381 890 HB3 LEU 111 3HB LEU 111 23.142 -3.723 -0.080 891 HG LEU 111 HG LEU 111 22.118 -3.191 2.237 892 HD11 LEU 111 1HD1 LEU 111 20.063 -3.021 1.244 893 HD12 LEU 111 2HD1 LEU 111 20.189 -4.593 0.455 894 HD13 LEU 111 3HD1 LEU 111 21.089 -3.215 -0.178 895 HD21 LEU 111 3HD2 LEU 111 22.425 -5.814 2.706 896 HD22 LEU 111 1HD2 LEU 111 20.785 -5.820 2.057 897 HD23 LEU 111 2HD2 LEU 111 21.171 -4.834 3.468 898 H LEU 112 H LEU 112 22.265 -5.028 -1.948 899 HA LEU 112 HA LEU 112 19.565 -5.676 -1.657 900 HB2 LEU 112 2HB LEU 112 20.614 -4.150 -3.365 901 HB3 LEU 112 3HB LEU 112 21.065 -5.596 -4.266 902 HG LEU 112 HG LEU 112 18.738 -6.148 -4.620 903 HD11 LEU 112 1HD1 LEU 112 17.236 -5.493 -3.124 904 HD12 LEU 112 2HD1 LEU 112 17.330 -3.879 -3.826 905 HD13 LEU 112 3HD1 LEU 112 18.342 -4.299 -2.445 906 HD21 LEU 112 3HD2 LEU 112 19.787 -4.648 -6.221 907 HD22 LEU 112 1HD2 LEU 112 19.326 -3.255 -5.242 908 HD23 LEU 112 2HD2 LEU 112 18.083 -4.240 -6.015 909 H ALA 113 H ALA 113 22.270 -7.668 -2.365 910 HA ALA 113 HA ALA 113 21.110 -9.738 -3.828 911 HB1 ALA 113 1HB ALA 113 23.497 -9.402 -2.159 912 HB2 ALA 113 2HB ALA 113 22.908 -11.061 -2.278 913 HB3 ALA 113 3HB ALA 113 23.312 -10.161 -3.740 914 H ARG 114 H ARG 114 20.755 -8.869 -0.497 915 HA ARG 114 HA ARG 114 20.022 -11.259 0.683 916 HB2 ARG 114 2HB ARG 114 20.214 -8.805 1.626 917 HB3 ARG 114 3HB ARG 114 18.480 -8.782 1.332 918 HG2 ARG 114 2HG ARG 114 18.085 -9.946 3.174 919 HG3 ARG 114 3HG ARG 114 19.243 -11.192 2.704 920 HD2 ARG 114 2HD ARG 114 20.478 -8.700 3.608 921 HD3 ARG 114 3HD ARG 114 19.506 -9.502 4.841 922 HE ARG 114 HE ARG 114 22.026 -10.367 3.803 923 HH11 ARG 114 1HH1 ARG 114 19.024 -11.449 5.194 924 HH12 ARG 114 2HH1 ARG 114 19.695 -12.915 5.828 925 HH21 ARG 114 2HH2 ARG 114 21.912 -13.394 5.509 926 HH22 ARG 114 1HH2 ARG 114 22.922 -12.294 4.633 927 H LEU 115 H LEU 115 18.126 -9.108 -1.359 928 HA LEU 115 HA LEU 115 15.583 -10.111 -0.970 929 HB2 LEU 115 2HB LEU 115 16.987 -8.856 -3.272 930 HB3 LEU 115 3HB LEU 115 15.405 -9.579 -3.552 931 HG LEU 115 HG LEU 115 15.222 -7.183 -3.174 932 HD11 LEU 115 1HD1 LEU 115 14.152 -8.506 -0.709 933 HD12 LEU 115 2HD1 LEU 115 13.520 -8.899 -2.307 934 HD13 LEU 115 3HD1 LEU 115 13.421 -7.246 -1.702 935 HD21 LEU 115 3HD2 LEU 115 16.023 -6.066 -1.324 936 HD22 LEU 115 1HD2 LEU 115 17.301 -7.248 -1.606 937 HD23 LEU 115 2HD2 LEU 115 16.104 -7.529 -0.341 938 H GLU 116 H GLU 116 18.266 -11.512 -2.698 939 HA GLU 116 HA GLU 116 16.550 -13.710 -3.626 940 HB2 GLU 116 2HB GLU 116 18.883 -12.368 -4.724 941 HB3 GLU 116 3HB GLU 116 19.098 -14.112 -4.673 942 HG2 GLU 116 2HG GLU 116 16.686 -12.786 -5.875 943 HG3 GLU 116 3HG GLU 116 18.133 -13.190 -6.796 Start of MODEL 10 1 H1 MET 1 H MET 1 3.693 5.232 -3.520 2 HA MET 1 HA MET 1 5.656 4.085 -3.226 3 HB2 MET 1 2HB MET 1 5.356 2.057 -1.756 4 HB3 MET 1 3HB MET 1 4.615 3.535 -1.159 5 HG2 MET 1 2HG MET 1 2.441 2.788 -1.914 6 HG3 MET 1 3HG MET 1 3.160 1.337 -2.608 7 HE1 MET 1 3HE MET 1 1.876 -0.795 -0.777 8 HE2 MET 1 1HE MET 1 3.310 -0.577 -1.781 9 HE3 MET 1 2HE MET 1 3.477 -1.125 -0.113 10 H ALA 2 H ALA 2 3.127 2.398 -4.887 11 HA ALA 2 HA ALA 2 4.900 0.295 -5.827 12 HB1 ALA 2 1HB ALA 2 2.937 -0.766 -5.746 13 HB2 ALA 2 2HB ALA 2 2.020 0.741 -5.748 14 HB3 ALA 2 3HB ALA 2 2.580 0.047 -7.270 15 H ARG 3 H ARG 3 2.607 2.302 -7.659 16 HA ARG 3 HA ARG 3 2.768 3.346 -9.673 17 HB2 ARG 3 2HB ARG 3 5.427 3.769 -8.428 18 HB3 ARG 3 3HB ARG 3 5.311 4.079 -10.155 19 HG2 ARG 3 2HG ARG 3 4.865 6.147 -9.241 20 HG3 ARG 3 3HG ARG 3 3.246 5.500 -9.517 21 HD2 ARG 3 2HD ARG 3 3.817 4.584 -7.004 22 HD3 ARG 3 3HD ARG 3 4.615 6.156 -7.015 23 HE ARG 3 HE ARG 3 1.785 5.646 -7.032 24 HH11 ARG 3 1HH1 ARG 3 4.294 7.928 -7.819 25 HH12 ARG 3 2HH1 ARG 3 3.246 9.306 -7.736 26 HH21 ARG 3 2HH2 ARG 3 1.030 9.034 -7.225 27 HH22 ARG 3 1HH2 ARG 3 0.396 7.452 -6.921 28 HA PRO 4 HA PRO 4 4.304 -0.597 -11.590 29 HB2 PRO 4 2HB PRO 4 1.989 -1.136 -12.901 30 HB3 PRO 4 3HB PRO 4 2.290 -1.642 -11.234 31 HG2 PRO 4 2HG PRO 4 0.741 0.710 -12.248 32 HG3 PRO 4 3HG PRO 4 0.337 -0.415 -10.938 33 HD2 PRO 4 2HD PRO 4 1.374 2.044 -10.479 34 HD3 PRO 4 3HD PRO 4 1.711 0.654 -9.427 35 H SER 5 H SER 5 5.670 0.111 -13.136 36 HA SER 5 HA SER 5 4.792 0.577 -15.751 37 HB2 SER 5 2HB SER 5 4.718 2.832 -16.039 38 HB3 SER 5 3HB SER 5 4.361 2.835 -14.312 39 HG SER 5 HG SER 5 6.665 3.057 -13.986 40 H ASN 6 H ASN 6 6.538 0.916 -17.244 41 HA ASN 6 HA ASN 6 9.211 1.312 -16.517 42 HB2 ASN 6 2HB ASN 6 9.969 -1.112 -16.956 43 HB3 ASN 6 3HB ASN 6 9.293 -0.738 -15.374 44 HD21 ASN 6 2HD2 ASN 6 6.619 -2.916 -15.649 45 HD22 ASN 6 1HD2 ASN 6 7.466 -1.731 -14.719 46 H VAL 7 H VAL 7 9.032 2.564 -18.405 47 HA VAL 7 HA VAL 7 9.560 1.067 -20.842 48 HB VAL 7 HB VAL 7 7.334 3.105 -20.703 49 HG11 VAL 7 1HG1 VAL 7 7.008 2.367 -23.114 50 HG12 VAL 7 2HG1 VAL 7 8.392 3.411 -22.783 51 HG13 VAL 7 3HG1 VAL 7 8.627 1.677 -23.009 52 HG21 VAL 7 3HG2 VAL 7 7.303 0.126 -21.167 53 HG22 VAL 7 1HG2 VAL 7 6.594 1.003 -19.811 54 HG23 VAL 7 2HG2 VAL 7 5.920 1.188 -21.430 55 H LYS 8 H LYS 8 9.183 4.241 -19.317 56 HA LYS 8 HA LYS 8 11.563 5.142 -20.784 57 HB2 LYS 8 2HB LYS 8 8.862 6.343 -20.767 58 HB3 LYS 8 3HB LYS 8 10.195 7.469 -20.550 59 HG2 LYS 8 2HG LYS 8 11.212 6.658 -22.624 60 HG3 LYS 8 3HG LYS 8 9.858 5.547 -22.845 61 HD2 LYS 8 2HD LYS 8 8.491 7.825 -22.546 62 HD3 LYS 8 3HD LYS 8 9.990 8.486 -23.202 63 HE2 LYS 8 2HE LYS 8 8.535 6.187 -24.483 64 HE3 LYS 8 3HE LYS 8 8.179 7.869 -24.874 65 HZ1 LYS 8 3HZ LYS 8 10.341 8.185 -25.713 66 HZ2 LYS 8 1HZ LYS 8 9.813 6.716 -26.367 67 HZ3 LYS 8 2HZ LYS 8 10.903 6.723 -25.073 68 HA PRO 9 HA PRO 9 13.068 6.648 -16.947 69 HB2 PRO 9 2HB PRO 9 14.305 8.956 -17.665 70 HB3 PRO 9 3HB PRO 9 14.945 7.358 -18.067 71 HG2 PRO 9 2HG PRO 9 13.373 9.252 -19.770 72 HG3 PRO 9 3HG PRO 9 14.794 8.281 -20.196 73 HD2 PRO 9 2HD PRO 9 12.276 7.548 -20.867 74 HD3 PRO 9 3HD PRO 9 13.550 6.366 -20.505 75 H SER 10 H SER 10 12.098 7.600 -15.275 76 HA SER 10 HA SER 10 11.057 10.270 -15.420 77 HB2 SER 10 2HB SER 10 9.172 9.063 -16.413 78 HB3 SER 10 3HB SER 10 9.124 7.971 -15.029 79 HG SER 10 HG SER 10 7.740 9.409 -14.329 80 HA PRO 11 HA PRO 11 12.590 8.806 -11.286 81 HB2 PRO 11 2HB PRO 11 14.267 10.907 -10.902 82 HB3 PRO 11 3HB PRO 11 14.744 9.444 -11.772 83 HG2 PRO 11 2HG PRO 11 13.855 12.088 -12.857 84 HG3 PRO 11 3HG PRO 11 15.182 11.045 -13.400 85 HD2 PRO 11 2HD PRO 11 12.785 11.127 -14.658 86 HD3 PRO 11 3HD PRO 11 13.773 9.654 -14.580 87 H HIS 12 H HIS 12 10.676 9.208 -10.212 88 HA HIS 12 HA HIS 12 9.414 11.706 -9.988 89 HB2 HIS 12 2HB HIS 12 9.015 9.060 -8.991 90 HB3 HIS 12 3HB HIS 12 8.879 10.184 -7.643 91 HD1 HIS 12 HD1 HIS 12 6.765 8.561 -9.855 92 HD2 HIS 12 HD2 HIS 12 7.127 12.543 -8.727 93 HE1 HIS 12 HE1 HIS 12 4.550 9.619 -10.403 94 H VAL 13 H VAL 13 9.473 13.303 -8.439 95 HA VAL 13 HA VAL 13 11.826 13.252 -6.670 96 HB VAL 13 HB VAL 13 10.321 15.690 -7.619 97 HG11 VAL 13 1HG1 VAL 13 12.765 15.228 -5.970 98 HG12 VAL 13 2HG1 VAL 13 12.653 16.679 -6.969 99 HG13 VAL 13 3HG1 VAL 13 11.442 16.367 -5.726 100 HG21 VAL 13 3HG2 VAL 13 12.866 15.642 -8.779 101 HG22 VAL 13 1HG2 VAL 13 12.206 14.023 -9.016 102 HG23 VAL 13 2HG2 VAL 13 11.315 15.432 -9.592 103 H ILE 14 H ILE 14 11.142 12.530 -4.734 104 HA ILE 14 HA ILE 14 8.561 13.169 -3.662 105 HB ILE 14 HB ILE 14 10.884 12.024 -2.123 106 HG12 ILE 14 2HG1 ILE 14 10.639 10.694 -4.140 107 HG13 ILE 14 3HG1 ILE 14 10.006 9.792 -2.767 108 HG21 ILE 14 1HG2 ILE 14 8.739 10.795 -1.146 109 HG22 ILE 14 2HG2 ILE 14 9.281 12.362 -0.548 110 HG23 ILE 14 3HG2 ILE 14 7.960 12.272 -1.712 111 HD11 ILE 14 3HD1 ILE 14 7.883 11.290 -3.912 112 HD12 ILE 14 1HD1 ILE 14 8.723 10.424 -5.197 113 HD13 ILE 14 2HD1 ILE 14 8.080 9.541 -3.812 114 H LYS 15 H LYS 15 8.138 14.365 -1.746 115 HA LYS 15 HA LYS 15 10.124 15.947 -0.465 116 HB2 LYS 15 2HB LYS 15 9.203 18.165 -1.198 117 HB3 LYS 15 3HB LYS 15 10.087 17.290 -2.442 118 HG2 LYS 15 2HG LYS 15 8.317 17.215 -3.782 119 HG3 LYS 15 3HG LYS 15 7.255 16.673 -2.480 120 HD2 LYS 15 2HD LYS 15 7.282 19.092 -1.674 121 HD3 LYS 15 3HD LYS 15 7.999 19.487 -3.238 122 HE2 LYS 15 2HE LYS 15 6.086 18.936 -4.403 123 HE3 LYS 15 3HE LYS 15 5.502 17.855 -3.138 124 HZ1 LYS 15 3HZ LYS 15 4.287 20.023 -3.381 125 HZ2 LYS 15 1HZ LYS 15 5.669 20.790 -2.778 126 HZ3 LYS 15 2HZ LYS 15 4.837 19.671 -1.821 127 H SER 16 H SER 16 8.399 14.266 0.668 128 HA SER 16 HA SER 16 6.754 16.037 2.274 129 HB2 SER 16 2HB SER 16 5.641 14.077 0.357 130 HB3 SER 16 3HB SER 16 4.933 14.049 1.972 131 HG SER 16 HG SER 16 5.276 16.465 0.551 132 H LEU 17 H LEU 17 6.044 15.059 4.265 133 HA LEU 17 HA LEU 17 8.001 13.337 5.392 134 HB2 LEU 17 2HB LEU 17 6.320 15.153 6.418 135 HB3 LEU 17 3HB LEU 17 5.408 13.688 6.773 136 HG LEU 17 HG LEU 17 7.547 12.843 7.894 137 HD11 LEU 17 1HD1 LEU 17 9.276 14.254 8.352 138 HD12 LEU 17 2HD1 LEU 17 8.267 15.698 8.280 139 HD13 LEU 17 3HD1 LEU 17 8.779 14.905 6.790 140 HD21 LEU 17 3HD2 LEU 17 6.085 15.202 9.076 141 HD22 LEU 17 1HD2 LEU 17 7.010 13.998 9.974 142 HD23 LEU 17 2HD2 LEU 17 5.544 13.523 9.116 143 H GLU 18 H GLU 18 4.503 12.879 4.851 144 HA GLU 18 HA GLU 18 4.309 10.237 5.628 145 HB2 GLU 18 2HB GLU 18 2.712 12.104 4.115 146 HB3 GLU 18 3HB GLU 18 2.604 10.498 3.407 147 HG2 GLU 18 2HG GLU 18 2.083 9.652 5.730 148 HG3 GLU 18 3HG GLU 18 1.901 11.340 6.201 149 H GLU 19 H GLU 19 5.073 11.516 2.402 150 HA GLU 19 HA GLU 19 5.282 9.058 1.079 151 HB2 GLU 19 2HB GLU 19 5.296 11.509 0.168 152 HB3 GLU 19 3HB GLU 19 7.039 11.375 0.354 153 HG2 GLU 19 2HG GLU 19 6.422 10.843 -1.905 154 HG3 GLU 19 3HG GLU 19 7.023 9.394 -1.100 155 H LEU 20 H LEU 20 7.615 10.879 2.980 156 HA LEU 20 HA LEU 20 9.878 9.305 2.310 157 HB2 LEU 20 2HB LEU 20 9.489 11.645 3.632 158 HB3 LEU 20 3HB LEU 20 9.834 10.552 4.972 159 HG LEU 20 HG LEU 20 11.938 9.904 3.672 160 HD11 LEU 20 1HD1 LEU 20 12.752 11.367 2.013 161 HD12 LEU 20 2HD1 LEU 20 11.471 12.542 2.309 162 HD13 LEU 20 3HD1 LEU 20 11.091 10.995 1.552 163 HD21 LEU 20 3HD2 LEU 20 13.181 11.569 4.738 164 HD22 LEU 20 1HD2 LEU 20 11.708 11.451 5.701 165 HD23 LEU 20 2HD2 LEU 20 11.905 12.773 4.550 166 H ARG 21 H ARG 21 8.103 9.456 5.405 167 HA ARG 21 HA ARG 21 9.215 7.224 6.586 168 HB2 ARG 21 2HB ARG 21 7.781 8.810 7.783 169 HB3 ARG 21 3HB ARG 21 6.385 8.246 6.876 170 HG2 ARG 21 2HG ARG 21 6.875 5.951 7.863 171 HG3 ARG 21 3HG ARG 21 7.958 6.793 8.974 172 HD2 ARG 21 2HD ARG 21 5.905 6.623 10.111 173 HD3 ARG 21 3HD ARG 21 5.983 8.286 9.532 174 HE ARG 21 HE ARG 21 4.641 6.638 7.660 175 HH11 ARG 21 1HH1 ARG 21 4.228 8.196 10.745 176 HH12 ARG 21 2HH1 ARG 21 2.507 8.334 10.592 177 HH21 ARG 21 2HH2 ARG 21 1.456 7.545 8.716 178 HH22 ARG 21 1HH2 ARG 21 2.377 6.813 7.446 179 H GLU 22 H GLU 22 6.736 7.417 4.143 180 HA GLU 22 HA GLU 22 5.892 4.685 4.408 181 HB2 GLU 22 2HB GLU 22 4.298 6.250 3.548 182 HB3 GLU 22 3HB GLU 22 5.409 6.782 2.293 183 HG2 GLU 22 2HG GLU 22 4.905 5.071 0.933 184 HG3 GLU 22 3HG GLU 22 4.766 3.918 2.259 185 H ALA 23 H ALA 23 7.966 6.490 2.170 186 HA ALA 23 HA ALA 23 8.556 4.385 0.418 187 HB1 ALA 23 1HB ALA 23 9.604 7.050 0.969 188 HB2 ALA 23 2HB ALA 23 10.830 5.920 0.392 189 HB3 ALA 23 3HB ALA 23 9.379 6.214 -0.567 190 H THR 24 H THR 24 9.650 5.041 3.620 191 HA THR 24 HA THR 24 12.017 3.397 3.436 192 HB THR 24 HB THR 24 11.665 3.671 6.099 193 HG1 THR 24 HG1 THR 24 9.938 4.928 6.288 194 HG21 THR 24 3HG2 THR 24 13.047 5.758 5.894 195 HG22 THR 24 1HG2 THR 24 12.800 5.675 4.150 196 HG23 THR 24 2HG2 THR 24 13.658 4.378 4.982 197 H ALA 25 H ALA 25 8.679 2.976 4.220 198 HA ALA 25 HA ALA 25 9.234 0.257 5.210 199 HB1 ALA 25 1HB ALA 25 6.686 1.814 5.601 200 HB2 ALA 25 2HB ALA 25 7.171 0.316 6.396 201 HB3 ALA 25 3HB ALA 25 8.022 1.818 6.753 202 H SER 26 H SER 26 8.751 1.558 2.401 203 HA SER 26 HA SER 26 6.386 0.291 1.425 204 HB2 SER 26 2HB SER 26 8.763 1.522 0.020 205 HB3 SER 26 3HB SER 26 7.368 0.864 -0.835 206 HG SER 26 HG SER 26 6.071 2.393 0.162 207 H ASN 27 H ASN 27 6.339 -1.396 -0.212 208 HA ASN 27 HA ASN 27 8.231 -3.519 0.437 209 HB2 ASN 27 2HB ASN 27 6.643 -5.035 -0.539 210 HB3 ASN 27 3HB ASN 27 5.752 -3.919 0.491 211 HD21 ASN 27 2HD2 ASN 27 4.546 -4.405 -3.187 212 HD22 ASN 27 1HD2 ASN 27 5.462 -5.517 -2.233 213 H ARG 28 H ARG 28 9.363 -1.497 -1.070 214 HA ARG 28 HA ARG 28 9.941 -2.936 -3.555 215 HB2 ARG 28 2HB ARG 28 9.511 0.053 -3.459 216 HB3 ARG 28 3HB ARG 28 9.865 -0.919 -4.881 217 HG2 ARG 28 2HG ARG 28 7.579 -2.072 -3.821 218 HG3 ARG 28 3HG ARG 28 7.332 -0.336 -3.625 219 HD2 ARG 28 2HD ARG 28 6.459 -0.993 -5.759 220 HD3 ARG 28 3HD ARG 28 7.921 -0.043 -6.021 221 HE ARG 28 HE ARG 28 8.485 -2.830 -5.938 222 HH11 ARG 28 1HH1 ARG 28 7.217 -0.304 -7.970 223 HH12 ARG 28 2HH1 ARG 28 7.644 -1.101 -9.449 224 HH21 ARG 28 2HH2 ARG 28 8.686 -3.140 -9.394 225 HH22 ARG 28 1HH2 ARG 28 9.052 -3.889 -7.877 226 H ILE 29 H ILE 29 11.773 -1.259 -4.663 227 HA ILE 29 HA ILE 29 13.842 -1.051 -2.573 228 HB ILE 29 HB ILE 29 14.369 -1.618 -5.486 229 HG12 ILE 29 2HG1 ILE 29 13.073 -3.469 -4.550 230 HG13 ILE 29 3HG1 ILE 29 14.742 -3.961 -4.816 231 HG21 ILE 29 1HG2 ILE 29 16.091 -1.865 -3.023 232 HG22 ILE 29 2HG2 ILE 29 16.573 -2.309 -4.660 233 HG23 ILE 29 3HG2 ILE 29 16.224 -0.625 -4.270 234 HD11 ILE 29 3HD1 ILE 29 13.847 -4.797 -2.702 235 HD12 ILE 29 1HD1 ILE 29 15.217 -3.714 -2.457 236 HD13 ILE 29 2HD1 ILE 29 13.574 -3.138 -2.169 237 H SER 30 H SER 30 14.015 1.059 -2.119 238 HA SER 30 HA SER 30 14.487 2.896 -4.368 239 HB2 SER 30 2HB SER 30 13.161 3.965 -1.922 240 HB3 SER 30 3HB SER 30 13.004 4.476 -3.602 241 HG SER 30 HG SER 30 11.868 2.412 -3.907 242 H VAL 31 H VAL 31 16.107 4.368 -4.098 243 HA VAL 31 HA VAL 31 17.735 4.053 -1.673 244 HB VAL 31 HB VAL 31 18.641 5.376 -4.219 245 HG11 VAL 31 1HG1 VAL 31 19.902 5.607 -2.026 246 HG12 VAL 31 2HG1 VAL 31 20.268 3.887 -2.176 247 HG13 VAL 31 3HG1 VAL 31 20.823 5.019 -3.410 248 HG21 VAL 31 3HG2 VAL 31 19.657 3.181 -4.819 249 HG22 VAL 31 1HG2 VAL 31 18.713 2.444 -3.524 250 HG23 VAL 31 2HG2 VAL 31 17.895 3.196 -4.893 251 H ILE 32 H ILE 32 16.943 5.517 -0.237 252 HA ILE 32 HA ILE 32 16.161 8.166 -0.992 253 HB ILE 32 HB ILE 32 16.740 7.151 1.791 254 HG12 ILE 32 2HG1 ILE 32 13.960 7.238 1.308 255 HG13 ILE 32 3HG1 ILE 32 14.670 6.395 -0.064 256 HG21 ILE 32 1HG2 ILE 32 14.907 9.362 0.880 257 HG22 ILE 32 2HG2 ILE 32 15.325 8.933 2.538 258 HG23 ILE 32 3HG2 ILE 32 16.551 9.613 1.468 259 HD11 ILE 32 3HD1 ILE 32 14.626 5.635 2.813 260 HD12 ILE 32 1HD1 ILE 32 14.250 4.671 1.385 261 HD13 ILE 32 2HD1 ILE 32 15.928 5.052 1.776 262 H VAL 33 H VAL 33 17.676 9.533 -1.703 263 HA VAL 33 HA VAL 33 20.237 9.673 -0.258 264 HB VAL 33 HB VAL 33 19.683 10.904 -2.950 265 HG11 VAL 33 1HG1 VAL 33 21.633 11.760 -1.817 266 HG12 VAL 33 2HG1 VAL 33 22.214 10.123 -1.508 267 HG13 VAL 33 3HG1 VAL 33 22.143 10.737 -3.160 268 HG21 VAL 33 3HG2 VAL 33 20.911 8.860 -3.839 269 HG22 VAL 33 1HG2 VAL 33 20.550 8.103 -2.287 270 HG23 VAL 33 2HG2 VAL 33 19.235 8.625 -3.341 271 H PHE 34 H PHE 34 20.681 11.405 0.937 272 HA PHE 34 HA PHE 34 18.793 13.618 0.961 273 HB2 PHE 34 2HB PHE 34 19.294 12.886 3.136 274 HB3 PHE 34 3HB PHE 34 21.013 12.737 2.787 275 HD1 PHE 34 HD1 PHE 34 18.797 15.613 2.050 276 HD2 PHE 34 HD2 PHE 34 21.973 14.083 4.434 277 HE1 PHE 34 HE1 PHE 34 19.175 17.859 2.981 278 HE2 PHE 34 HE2 PHE 34 22.356 16.326 5.370 279 HZ PHE 34 HZ PHE 34 20.956 18.217 4.644 280 H THR 35 H THR 35 19.136 15.467 -0.066 281 HA THR 35 HA THR 35 21.706 16.696 -0.244 282 HB THR 35 HB THR 35 21.196 16.694 -2.949 283 HG1 THR 35 HG1 THR 35 19.740 14.805 -2.290 284 HG21 THR 35 3HG2 THR 35 23.363 16.426 -1.644 285 HG22 THR 35 1HG2 THR 35 23.241 15.526 -3.155 286 HG23 THR 35 2HG2 THR 35 23.013 14.698 -1.615 287 H HIS 36 H HIS 36 21.587 18.851 -0.851 288 HA HIS 36 HA HIS 36 18.862 19.873 -1.312 289 HB2 HIS 36 2HB HIS 36 19.897 22.030 -0.300 290 HB3 HIS 36 3HB HIS 36 19.452 20.713 0.781 291 HD1 HIS 36 HD1 HIS 36 22.636 20.997 -1.257 292 HD2 HIS 36 HD2 HIS 36 21.370 20.960 2.700 293 HE1 HIS 36 HE1 HIS 36 24.739 20.950 0.121 294 HA PRO 37 HA PRO 37 20.127 21.774 -5.057 295 HB2 PRO 37 2HB PRO 37 18.724 24.098 -5.011 296 HB3 PRO 37 3HB PRO 37 17.967 22.524 -5.284 297 HG2 PRO 37 2HG PRO 37 18.125 24.139 -2.768 298 HG3 PRO 37 3HG PRO 37 16.748 23.246 -3.439 299 HD2 PRO 37 2HD PRO 37 18.280 22.268 -1.432 300 HD3 PRO 37 3HD PRO 37 17.512 21.222 -2.643 301 H ASP 38 H ASP 38 20.917 23.131 -2.060 302 HA ASP 38 HA ASP 38 22.710 25.085 -3.347 303 HB2 ASP 38 2HB ASP 38 21.031 26.196 -1.962 304 HB3 ASP 38 3HB ASP 38 21.477 25.190 -0.586 305 H SER 39 H SER 39 23.951 22.928 -3.508 306 HA SER 39 HA SER 39 25.444 22.427 -1.024 307 HB2 SER 39 2HB SER 39 24.375 20.440 -1.983 308 HB3 SER 39 3HB SER 39 25.205 20.718 -3.514 309 HG SER 39 HG SER 39 26.158 19.666 -1.141 310 H LYS 40 H LYS 40 27.383 23.313 -0.870 311 HA LYS 40 HA LYS 40 28.683 24.466 -3.168 312 HB2 LYS 40 2HB LYS 40 28.636 25.474 -0.837 313 HB3 LYS 40 3HB LYS 40 29.797 24.237 -0.374 314 HG2 LYS 40 2HG LYS 40 30.478 25.823 -2.764 315 HG3 LYS 40 3HG LYS 40 30.490 26.681 -1.222 316 HD2 LYS 40 2HD LYS 40 31.776 24.236 -0.747 317 HD3 LYS 40 3HD LYS 40 32.405 24.818 -2.291 318 HE2 LYS 40 2HE LYS 40 33.793 26.074 -1.073 319 HE3 LYS 40 3HE LYS 40 32.389 27.086 -0.738 320 HZ1 LYS 40 3HZ LYS 40 33.917 25.781 1.111 321 HZ2 LYS 40 1HZ LYS 40 32.525 24.826 1.001 322 HZ3 LYS 40 2HZ LYS 40 32.395 26.468 1.382 323 H ARG 41 H ARG 41 29.532 21.955 -0.787 324 HA ARG 41 HA ARG 41 31.921 21.177 -2.093 325 HB2 ARG 41 2HB ARG 41 30.254 20.150 0.128 326 HB3 ARG 41 3HB ARG 41 31.273 18.967 -0.681 327 HG2 ARG 41 2HG ARG 41 32.892 21.215 -0.233 328 HG3 ARG 41 3HG ARG 41 31.981 20.949 1.255 329 HD2 ARG 41 2HD ARG 41 33.379 18.706 -0.169 330 HD3 ARG 41 3HD ARG 41 34.222 19.736 0.987 331 HE ARG 41 HE ARG 41 32.063 18.944 2.382 332 HH11 ARG 41 1HH1 ARG 41 34.423 17.201 0.509 333 HH12 ARG 41 2HH1 ARG 41 34.312 15.761 1.467 334 HH21 ARG 41 2HH2 ARG 41 32.880 15.679 3.253 335 HH22 ARG 41 1HH2 ARG 41 31.907 17.055 3.651 336 H SER 42 H SER 42 28.777 19.501 -1.869 337 HA SER 42 HA SER 42 29.471 17.632 -3.921 338 HB2 SER 42 2HB SER 42 26.610 17.917 -3.391 339 HB3 SER 42 3HB SER 42 27.655 16.509 -3.203 340 HG SER 42 HG SER 42 27.858 16.945 -1.155 341 H LYS 43 H LYS 43 29.063 17.692 -6.054 342 HA LYS 43 HA LYS 43 27.045 19.129 -7.336 343 HB2 LYS 43 2HB LYS 43 29.373 20.713 -6.631 344 HB3 LYS 43 3HB LYS 43 29.123 20.679 -8.372 345 HG2 LYS 43 2HG LYS 43 26.603 21.154 -7.512 346 HG3 LYS 43 3HG LYS 43 27.544 21.964 -6.258 347 HD2 LYS 43 2HD LYS 43 28.417 22.448 -9.033 348 HD3 LYS 43 3HD LYS 43 26.843 23.117 -8.596 349 HE2 LYS 43 2HE LYS 43 27.736 24.631 -7.173 350 HE3 LYS 43 3HE LYS 43 29.013 23.537 -6.642 351 HZ1 LYS 43 3HZ LYS 43 30.352 24.782 -7.886 352 HZ2 LYS 43 1HZ LYS 43 29.070 25.548 -8.681 353 HZ3 LYS 43 2HZ LYS 43 29.639 24.055 -9.237 354 H GLU 44 H GLU 44 30.296 17.820 -7.483 355 HA GLU 44 HA GLU 44 30.163 17.342 -10.330 356 HB2 GLU 44 2HB GLU 44 32.350 16.256 -10.024 357 HB3 GLU 44 3HB GLU 44 32.314 17.865 -9.317 358 HG2 GLU 44 2HG GLU 44 31.622 16.429 -7.169 359 HG3 GLU 44 3HG GLU 44 32.589 15.230 -8.025 360 H ILE 45 H ILE 45 29.912 15.459 -7.353 361 HA ILE 45 HA ILE 45 29.418 13.015 -8.864 362 HB ILE 45 HB ILE 45 29.354 11.896 -6.682 363 HG12 ILE 45 2HG1 ILE 45 30.206 13.461 -4.738 364 HG13 ILE 45 3HG1 ILE 45 29.452 14.724 -5.704 365 HG21 ILE 45 1HG2 ILE 45 31.608 11.809 -6.505 366 HG22 ILE 45 2HG2 ILE 45 31.527 12.770 -7.980 367 HG23 ILE 45 3HG2 ILE 45 31.780 13.562 -6.426 368 HD11 ILE 45 3HD1 ILE 45 27.435 14.156 -4.994 369 HD12 ILE 45 1HD1 ILE 45 27.696 12.460 -5.399 370 HD13 ILE 45 2HD1 ILE 45 28.225 13.086 -3.837 371 H LYS 46 H LYS 46 27.661 15.573 -7.525 372 HA LYS 46 HA LYS 46 25.336 14.314 -6.606 373 HB2 LYS 46 2HB LYS 46 24.648 16.418 -6.262 374 HB3 LYS 46 3HB LYS 46 26.207 16.926 -6.899 375 HG2 LYS 46 2HG LYS 46 25.204 17.023 -9.158 376 HG3 LYS 46 3HG LYS 46 23.638 16.635 -8.442 377 HD2 LYS 46 2HD LYS 46 23.326 18.742 -7.772 378 HD3 LYS 46 3HD LYS 46 24.946 18.837 -7.077 379 HE2 LYS 46 2HE LYS 46 25.822 19.807 -8.921 380 HE3 LYS 46 3HE LYS 46 24.805 18.879 -10.021 381 HZ1 LYS 46 3HZ LYS 46 24.185 21.387 -8.604 382 HZ2 LYS 46 1HZ LYS 46 22.935 20.366 -9.109 383 HZ3 LYS 46 2HZ LYS 46 24.005 21.017 -10.245 384 H GLU 47 H GLU 47 26.401 15.137 -9.845 385 HA GLU 47 HA GLU 47 23.857 14.451 -11.037 386 HB2 GLU 47 2HB GLU 47 25.708 16.165 -11.845 387 HB3 GLU 47 3HB GLU 47 26.349 14.742 -12.653 388 HG2 GLU 47 2HG GLU 47 25.014 15.554 -14.300 389 HG3 GLU 47 3HG GLU 47 23.864 14.501 -13.479 390 H LYS 48 H LYS 48 26.799 12.869 -10.217 391 HA LYS 48 HA LYS 48 27.003 10.822 -12.042 392 HB2 LYS 48 2HB LYS 48 28.185 11.422 -9.635 393 HB3 LYS 48 3HB LYS 48 27.342 9.922 -9.271 394 HG2 LYS 48 2HG LYS 48 28.789 8.697 -10.444 395 HG3 LYS 48 3HG LYS 48 28.800 9.836 -11.792 396 HD2 LYS 48 2HD LYS 48 30.372 11.259 -10.615 397 HD3 LYS 48 3HD LYS 48 30.308 10.201 -9.203 398 HE2 LYS 48 2HE LYS 48 31.027 8.371 -10.944 399 HE3 LYS 48 3HE LYS 48 31.607 9.767 -11.852 400 HZ1 LYS 48 3HZ LYS 48 32.336 9.430 -9.017 401 HZ2 LYS 48 1HZ LYS 48 33.141 10.294 -10.228 402 HZ3 LYS 48 2HZ LYS 48 33.190 8.603 -10.220 403 H LEU 49 H LEU 49 25.058 10.807 -9.057 404 HA LEU 49 HA LEU 49 23.928 8.285 -9.340 405 HB2 LEU 49 2HB LEU 49 23.785 9.765 -7.339 406 HB3 LEU 49 3HB LEU 49 22.571 10.717 -8.190 407 HG LEU 49 HG LEU 49 21.158 8.641 -8.293 408 HD11 LEU 49 1HD1 LEU 49 22.750 6.916 -7.990 409 HD12 LEU 49 2HD1 LEU 49 21.731 6.917 -6.551 410 HD13 LEU 49 3HD1 LEU 49 23.343 7.629 -6.490 411 HD21 LEU 49 3HD2 LEU 49 20.596 8.744 -5.818 412 HD22 LEU 49 1HD2 LEU 49 20.548 10.268 -6.705 413 HD23 LEU 49 2HD2 LEU 49 21.926 9.894 -5.670 414 H LYS 50 H LYS 50 23.136 11.296 -10.910 415 HA LYS 50 HA LYS 50 20.575 10.585 -11.874 416 HB2 LYS 50 2HB LYS 50 22.191 12.842 -11.959 417 HB3 LYS 50 3HB LYS 50 22.068 12.353 -13.644 418 HG2 LYS 50 2HG LYS 50 20.227 13.650 -13.565 419 HG3 LYS 50 3HG LYS 50 19.492 12.163 -12.960 420 HD2 LYS 50 2HD LYS 50 18.861 13.349 -11.178 421 HD3 LYS 50 3HD LYS 50 20.559 13.347 -10.696 422 HE2 LYS 50 2HE LYS 50 20.437 15.574 -10.790 423 HE3 LYS 50 3HE LYS 50 20.429 15.386 -12.543 424 HZ1 LYS 50 3HZ LYS 50 18.486 16.444 -12.452 425 HZ2 LYS 50 1HZ LYS 50 18.317 16.213 -10.784 426 HZ3 LYS 50 2HZ LYS 50 17.835 15.000 -11.858 427 H LYS 51 H LYS 51 23.817 10.326 -13.288 428 HA LYS 51 HA LYS 51 22.971 9.277 -15.777 429 HB2 LYS 51 2HB LYS 51 25.583 9.348 -14.304 430 HB3 LYS 51 3HB LYS 51 25.429 8.395 -15.774 431 HG2 LYS 51 2HG LYS 51 25.011 10.289 -17.091 432 HG3 LYS 51 3HG LYS 51 24.677 11.298 -15.681 433 HD2 LYS 51 2HD LYS 51 27.114 10.804 -15.016 434 HD3 LYS 51 3HD LYS 51 27.314 10.277 -16.689 435 HE2 LYS 51 2HE LYS 51 26.603 12.457 -17.484 436 HE3 LYS 51 3HE LYS 51 26.304 12.987 -15.829 437 HZ1 LYS 51 3HZ LYS 51 28.700 12.605 -15.391 438 HZ2 LYS 51 1HZ LYS 51 28.405 13.829 -16.521 439 HZ3 LYS 51 2HZ LYS 51 28.925 12.306 -17.040 440 H LEU 52 H LEU 52 23.779 7.807 -12.694 441 HA LEU 52 HA LEU 52 24.071 5.155 -13.450 442 HB2 LEU 52 2HB LEU 52 24.520 5.964 -11.200 443 HB3 LEU 52 3HB LEU 52 22.801 6.267 -10.952 444 HG LEU 52 HG LEU 52 23.489 3.493 -11.648 445 HD11 LEU 52 1HD1 LEU 52 25.394 3.927 -10.262 446 HD12 LEU 52 2HD1 LEU 52 24.224 2.999 -9.326 447 HD13 LEU 52 3HD1 LEU 52 24.392 4.733 -9.055 448 HD21 LEU 52 3HD2 LEU 52 21.229 4.325 -11.011 449 HD22 LEU 52 1HD2 LEU 52 21.859 4.661 -9.398 450 HD23 LEU 52 2HD2 LEU 52 21.820 3.004 -10.001 451 H ALA 53 H ALA 53 21.225 7.118 -13.311 452 HA ALA 53 HA ALA 53 19.198 5.264 -13.029 453 HB1 ALA 53 1HB ALA 53 18.895 7.422 -15.064 454 HB2 ALA 53 2HB ALA 53 17.766 6.873 -13.825 455 HB3 ALA 53 3HB ALA 53 19.156 7.861 -13.375 456 H GLU 54 H GLU 54 21.330 5.786 -15.723 457 HA GLU 54 HA GLU 54 19.734 4.324 -17.615 458 HB2 GLU 54 2HB GLU 54 21.266 6.087 -18.359 459 HB3 GLU 54 3HB GLU 54 22.632 5.176 -17.731 460 HG2 GLU 54 2HG GLU 54 20.895 3.792 -19.678 461 HG3 GLU 54 3HG GLU 54 21.884 5.117 -20.289 462 H GLU 55 H GLU 55 22.497 3.649 -15.534 463 HA GLU 55 HA GLU 55 23.163 1.122 -16.554 464 HB2 GLU 55 2HB GLU 55 24.802 1.836 -15.139 465 HB3 GLU 55 3HB GLU 55 23.667 2.605 -14.039 466 HG2 GLU 55 2HG GLU 55 23.102 0.493 -13.054 467 HG3 GLU 55 3HG GLU 55 24.073 -0.369 -14.246 468 H PHE 56 H PHE 56 20.684 2.152 -14.314 469 HA PHE 56 HA PHE 56 19.337 -0.378 -14.574 470 HB2 PHE 56 2HB PHE 56 21.050 -0.640 -12.678 471 HB3 PHE 56 3HB PHE 56 20.033 0.472 -11.769 472 HD1 PHE 56 HD1 PHE 56 19.269 -2.400 -14.023 473 HD2 PHE 56 HD2 PHE 56 18.885 -0.677 -10.150 474 HE1 PHE 56 HE1 PHE 56 17.840 -4.281 -13.331 475 HE2 PHE 56 HE2 PHE 56 17.457 -2.555 -9.452 476 HZ PHE 56 HZ PHE 56 16.933 -4.361 -11.043 477 HA PRO 57 HA PRO 57 16.624 3.345 -14.111 478 HB2 PRO 57 2HB PRO 57 15.018 2.712 -16.206 479 HB3 PRO 57 3HB PRO 57 16.524 3.618 -16.390 480 HG2 PRO 57 2HG PRO 57 15.997 0.707 -16.847 481 HG3 PRO 57 3HG PRO 57 16.941 1.841 -17.830 482 HD2 PRO 57 2HD PRO 57 18.093 0.088 -16.118 483 HD3 PRO 57 3HD PRO 57 18.789 1.685 -16.461 484 H ASP 58 H ASP 58 16.316 -0.018 -13.900 485 HA ASP 58 HA ASP 58 13.514 -0.253 -13.525 486 HB2 ASP 58 2HB ASP 58 14.404 -2.322 -13.931 487 HB3 ASP 58 3HB ASP 58 15.891 -1.972 -13.054 488 H VAL 59 H VAL 59 16.219 0.331 -11.341 489 HA VAL 59 HA VAL 59 14.646 0.167 -8.956 490 HB VAL 59 HB VAL 59 17.130 -0.206 -9.054 491 HG11 VAL 59 1HG1 VAL 59 17.235 2.147 -10.378 492 HG12 VAL 59 2HG1 VAL 59 17.652 2.675 -8.746 493 HG13 VAL 59 3HG1 VAL 59 18.608 1.423 -9.541 494 HG21 VAL 59 3HG2 VAL 59 17.535 0.685 -6.871 495 HG22 VAL 59 1HG2 VAL 59 16.295 1.920 -7.088 496 HG23 VAL 59 2HG2 VAL 59 15.835 0.222 -6.957 497 H ASP 60 H ASP 60 14.195 1.930 -7.507 498 HA ASP 60 HA ASP 60 13.442 4.354 -8.959 499 HB2 ASP 60 2HB ASP 60 12.648 4.140 -6.139 500 HB3 ASP 60 3HB ASP 60 11.677 4.515 -7.559 501 H ILE 61 H ILE 61 14.955 5.884 -8.988 502 HA ILE 61 HA ILE 61 16.470 6.396 -6.512 503 HB ILE 61 HB ILE 61 17.379 7.302 -9.225 504 HG12 ILE 61 2HG1 ILE 61 18.921 5.100 -8.700 505 HG13 ILE 61 3HG1 ILE 61 17.339 4.567 -8.142 506 HG21 ILE 61 1HG2 ILE 61 18.726 6.811 -6.579 507 HG22 ILE 61 2HG2 ILE 61 19.608 7.113 -8.075 508 HG23 ILE 61 3HG2 ILE 61 18.525 8.344 -7.427 509 HD11 ILE 61 3HD1 ILE 61 18.030 4.117 -10.578 510 HD12 ILE 61 1HD1 ILE 61 16.406 4.722 -10.251 511 HD13 ILE 61 2HD1 ILE 61 17.656 5.822 -10.834 512 H TYR 62 H TYR 62 15.368 7.985 -5.508 513 HA TYR 62 HA TYR 62 14.850 10.440 -7.052 514 HB2 TYR 62 2HB TYR 62 12.865 10.849 -5.753 515 HB3 TYR 62 3HB TYR 62 12.761 9.222 -6.417 516 HD1 TYR 62 HD1 TYR 62 13.140 11.210 -3.368 517 HD2 TYR 62 HD2 TYR 62 12.911 7.273 -4.967 518 HE1 TYR 62 HE1 TYR 62 12.762 10.320 -1.107 519 HE2 TYR 62 HE2 TYR 62 12.530 6.373 -2.710 520 HH TYR 62 HH TYR 62 12.531 6.838 -0.518 521 H LEU 63 H LEU 63 15.273 12.400 -6.043 522 HA LEU 63 HA LEU 63 17.123 12.224 -3.794 523 HB2 LEU 63 2HB LEU 63 16.410 14.647 -5.432 524 HB3 LEU 63 3HB LEU 63 17.792 14.451 -4.356 525 HG LEU 63 HG LEU 63 17.360 13.068 -7.002 526 HD11 LEU 63 1HD1 LEU 63 18.398 15.595 -6.383 527 HD12 LEU 63 2HD1 LEU 63 18.502 14.733 -7.918 528 HD13 LEU 63 3HD1 LEU 63 19.790 14.568 -6.726 529 HD21 LEU 63 3HD2 LEU 63 19.746 12.305 -6.575 530 HD22 LEU 63 1HD2 LEU 63 18.477 11.499 -5.653 531 HD23 LEU 63 2HD2 LEU 63 19.470 12.739 -4.887 532 H VAL 64 H VAL 64 16.924 13.526 -1.927 533 HA VAL 64 HA VAL 64 14.196 14.523 -1.416 534 HB VAL 64 HB VAL 64 16.001 13.252 0.644 535 HG11 VAL 64 1HG1 VAL 64 14.483 14.790 1.653 536 HG12 VAL 64 2HG1 VAL 64 13.133 14.173 0.699 537 HG13 VAL 64 3HG1 VAL 64 13.865 13.165 1.948 538 HG21 VAL 64 3HG2 VAL 64 15.409 11.499 -0.832 539 HG22 VAL 64 1HG2 VAL 64 14.306 11.378 0.539 540 HG23 VAL 64 2HG2 VAL 64 13.752 12.084 -0.980 541 H ASP 65 H ASP 65 13.991 16.464 -0.403 542 HA ASP 65 HA ASP 65 16.492 17.914 0.162 543 HB2 ASP 65 2HB ASP 65 14.753 19.924 -0.107 544 HB3 ASP 65 3HB ASP 65 15.588 19.215 -1.486 545 H THR 66 H THR 66 16.873 18.445 2.202 546 HA THR 66 HA THR 66 15.232 17.755 4.339 547 HB THR 66 HB THR 66 16.703 19.688 5.491 548 HG1 THR 66 HG1 THR 66 17.612 20.441 3.558 549 HG21 THR 66 3HG2 THR 66 18.525 17.936 5.700 550 HG22 THR 66 1HG2 THR 66 17.561 16.937 4.614 551 HG23 THR 66 2HG2 THR 66 16.905 17.428 6.175 552 H SER 67 H SER 67 15.115 20.500 2.277 553 HA SER 67 HA SER 67 14.026 22.479 3.851 554 HB2 SER 67 2HB SER 67 14.521 22.262 1.212 555 HB3 SER 67 3HB SER 67 12.764 22.105 1.189 556 HG SER 67 HG SER 67 14.285 24.307 1.589 557 H THR 68 H THR 68 12.563 19.532 2.730 558 HA THR 68 HA THR 68 9.953 20.376 3.787 559 HB THR 68 HB THR 68 9.199 18.163 2.686 560 HG1 THR 68 HG1 THR 68 10.570 17.481 0.992 561 HG21 THR 68 3HG2 THR 68 8.319 19.866 1.496 562 HG22 THR 68 1HG2 THR 68 9.572 19.453 0.326 563 HG23 THR 68 2HG2 THR 68 9.835 20.767 1.473 564 H ASN 69 H ASN 69 12.566 18.117 4.234 565 HA ASN 69 HA ASN 69 11.195 17.079 6.624 566 HB2 ASN 69 2HB ASN 69 12.287 14.901 6.246 567 HB3 ASN 69 3HB ASN 69 11.220 15.334 4.913 568 HD21 ASN 69 2HD2 ASN 69 15.050 14.511 4.238 569 HD22 ASN 69 1HD2 ASN 69 14.239 14.233 5.738 570 HA PRO 70 HA PRO 70 15.353 18.994 7.616 571 HB2 PRO 70 2HB PRO 70 14.418 20.691 9.518 572 HB3 PRO 70 3HB PRO 70 14.491 21.116 7.804 573 HG2 PRO 70 2HG PRO 70 12.159 20.167 9.422 574 HG3 PRO 70 3HG PRO 70 12.228 21.460 8.210 575 HD2 PRO 70 2HD PRO 70 11.255 18.994 7.657 576 HD3 PRO 70 3HD PRO 70 12.094 19.983 6.445 577 H GLU 71 H GLU 71 12.673 18.284 9.860 578 HA GLU 71 HA GLU 71 14.180 17.728 12.124 579 HB2 GLU 71 2HB GLU 71 11.491 16.825 11.165 580 HB3 GLU 71 3HB GLU 71 12.173 16.117 12.623 581 HG2 GLU 71 2HG GLU 71 11.414 17.835 13.780 582 HG3 GLU 71 3HG GLU 71 12.485 18.898 12.868 583 H ALA 72 H ALA 72 13.457 15.717 9.346 584 HA ALA 72 HA ALA 72 14.108 13.204 10.278 585 HB1 ALA 72 1HB ALA 72 13.673 12.721 8.160 586 HB2 ALA 72 2HB ALA 72 13.748 14.435 7.747 587 HB3 ALA 72 3HB ALA 72 15.207 13.445 7.675 588 H ARG 73 H ARG 73 16.298 15.699 9.016 589 HA ARG 73 HA ARG 73 18.675 14.286 9.057 590 HB2 ARG 73 2HB ARG 73 17.881 17.011 8.825 591 HB3 ARG 73 3HB ARG 73 19.207 16.931 9.978 592 HG2 ARG 73 2HG ARG 73 19.714 15.313 7.629 593 HG3 ARG 73 3HG ARG 73 19.415 17.005 7.227 594 HD2 ARG 73 2HD ARG 73 21.450 15.948 9.186 595 HD3 ARG 73 3HD ARG 73 21.780 16.646 7.601 596 HE ARG 73 HE ARG 73 21.338 18.061 10.026 597 HH11 ARG 73 1HH1 ARG 73 20.811 18.208 6.588 598 HH12 ARG 73 2HH1 ARG 73 20.771 19.940 6.536 599 HH21 ARG 73 2HH2 ARG 73 21.042 21.152 8.461 600 HH22 ARG 73 1HH2 ARG 73 21.287 20.341 9.971 601 H GLU 74 H GLU 74 17.623 16.532 11.626 602 HA GLU 74 HA GLU 74 19.532 15.727 13.504 603 HB2 GLU 74 2HB GLU 74 17.957 17.786 13.494 604 HB3 GLU 74 3HB GLU 74 16.812 16.723 14.301 605 HG2 GLU 74 2HG GLU 74 18.981 16.297 15.823 606 HG3 GLU 74 3HG GLU 74 19.292 17.952 15.304 607 H TRP 75 H TRP 75 16.498 14.322 12.587 608 HA TRP 75 HA TRP 75 15.805 12.842 14.808 609 HB2 TRP 75 2HB TRP 75 14.682 13.036 12.458 610 HB3 TRP 75 3HB TRP 75 15.645 11.611 12.077 611 HD1 TRP 75 HD1 TRP 75 13.239 12.629 14.965 612 HE1 TRP 75 HE1 TRP 75 11.770 10.588 15.515 613 HE3 TRP 75 HE3 TRP 75 15.194 9.297 11.617 614 HZ2 TRP 75 HZ2 TRP 75 11.480 7.919 14.645 615 HZ3 TRP 75 HZ3 TRP 75 14.265 7.020 11.540 616 HH2 TRP 75 HH2 TRP 75 12.446 6.347 13.024 617 H TYR 76 H TYR 76 18.344 12.245 12.464 618 HA TYR 76 HA TYR 76 19.263 10.000 14.133 619 HB2 TYR 76 2HB TYR 76 18.273 9.251 11.945 620 HB3 TYR 76 3HB TYR 76 19.554 10.139 11.128 621 HD1 TYR 76 HD1 TYR 76 19.070 7.489 13.713 622 HD2 TYR 76 HD2 TYR 76 21.527 9.042 10.605 623 HE1 TYR 76 HE1 TYR 76 20.542 5.528 13.905 624 HE2 TYR 76 HE2 TYR 76 23.005 7.084 10.788 625 HH TYR 76 HH TYR 76 22.184 4.294 12.289 626 H ASN 77 H ASN 77 19.898 13.038 13.384 627 HA ASN 77 HA ASN 77 21.742 14.372 13.256 628 HB2 ASN 77 2HB ASN 77 23.441 12.320 14.574 629 HB3 ASN 77 3HB ASN 77 23.235 14.026 14.958 630 HD21 ASN 77 2HD2 ASN 77 21.114 11.196 16.865 631 HD22 ASN 77 1HD2 ASN 77 22.287 10.833 15.649 632 H ILE 78 H ILE 78 22.060 14.305 11.021 633 HA ILE 78 HA ILE 78 24.012 12.351 10.024 634 HB ILE 78 HB ILE 78 22.068 14.145 8.580 635 HG12 ILE 78 2HG1 ILE 78 22.054 11.366 7.830 636 HG13 ILE 78 3HG1 ILE 78 21.913 11.509 9.579 637 HG21 ILE 78 1HG2 ILE 78 24.307 12.470 7.465 638 HG22 ILE 78 2HG2 ILE 78 22.956 13.063 6.500 639 HG23 ILE 78 3HG2 ILE 78 24.056 14.205 7.272 640 HD11 ILE 78 3HD1 ILE 78 20.197 13.367 8.146 641 HD12 ILE 78 1HD1 ILE 78 19.861 11.676 7.774 642 HD13 ILE 78 2HD1 ILE 78 19.817 12.238 9.446 643 H THR 79 H THR 79 25.984 12.941 9.313 644 HA THR 79 HA THR 79 26.675 15.796 9.504 645 HB THR 79 HB THR 79 29.067 14.900 9.669 646 HG1 THR 79 HG1 THR 79 29.337 12.777 10.017 647 HG21 THR 79 3HG2 THR 79 27.261 14.092 11.942 648 HG22 THR 79 1HG2 THR 79 27.639 15.773 11.568 649 HG23 THR 79 2HG2 THR 79 28.928 14.661 12.028 650 H SER 80 H SER 80 26.646 13.017 7.432 651 HA SER 80 HA SER 80 28.157 14.465 5.372 652 HB2 SER 80 2HB SER 80 27.329 11.713 4.765 653 HB3 SER 80 3HB SER 80 28.916 12.469 4.629 654 HG SER 80 HG SER 80 28.801 12.317 7.081 655 H VAL 81 H VAL 81 26.667 15.846 4.503 656 HA VAL 81 HA VAL 81 24.030 15.670 4.068 657 HB VAL 81 HB VAL 81 25.187 16.527 1.571 658 HG11 VAL 81 1HG1 VAL 81 23.072 17.262 2.827 659 HG12 VAL 81 2HG1 VAL 81 24.154 18.294 3.764 660 HG13 VAL 81 3HG1 VAL 81 24.028 18.504 2.017 661 HG21 VAL 81 3HG2 VAL 81 27.268 16.660 2.871 662 HG22 VAL 81 1HG2 VAL 81 26.682 18.255 2.399 663 HG23 VAL 81 2HG2 VAL 81 26.455 17.686 4.053 664 HA PRO 82 HA PRO 82 24.506 13.084 0.012 665 HB2 PRO 82 2HB PRO 82 26.948 12.012 -0.500 666 HB3 PRO 82 3HB PRO 82 26.464 13.615 -1.067 667 HG2 PRO 82 2HG PRO 82 28.128 12.868 1.307 668 HG3 PRO 82 3HG PRO 82 28.380 14.169 0.128 669 HD2 PRO 82 2HD PRO 82 27.314 14.609 2.578 670 HD3 PRO 82 3HD PRO 82 26.857 15.563 1.153 671 H THR 83 H THR 83 23.417 11.973 1.957 672 HA THR 83 HA THR 83 24.840 9.599 2.879 673 HB THR 83 HB THR 83 21.993 10.165 3.607 674 HG1 THR 83 HG1 THR 83 24.140 11.376 5.003 675 HG21 THR 83 3HG2 THR 83 23.169 9.432 5.872 676 HG22 THR 83 1HG2 THR 83 24.330 8.724 4.750 677 HG23 THR 83 2HG2 THR 83 22.632 8.249 4.679 678 H PHE 84 H PHE 84 23.636 7.506 2.883 679 HA PHE 84 HA PHE 84 21.836 7.193 0.592 680 HB2 PHE 84 2HB PHE 84 24.530 5.976 0.933 681 HB3 PHE 84 3HB PHE 84 23.262 4.955 0.263 682 HD1 PHE 84 HD1 PHE 84 21.796 6.299 -1.591 683 HD2 PHE 84 HD2 PHE 84 25.873 7.011 -0.597 684 HE1 PHE 84 HE1 PHE 84 22.158 7.303 -3.808 685 HE2 PHE 84 HE2 PHE 84 26.241 8.016 -2.811 686 HZ PHE 84 HZ PHE 84 24.383 8.164 -4.420 687 H VAL 85 H VAL 85 20.047 6.322 1.385 688 HA VAL 85 HA VAL 85 20.284 4.305 3.522 689 HB VAL 85 HB VAL 85 17.808 5.912 2.918 690 HG11 VAL 85 1HG1 VAL 85 17.886 3.685 4.285 691 HG12 VAL 85 2HG1 VAL 85 18.519 4.725 5.562 692 HG13 VAL 85 3HG1 VAL 85 16.932 5.050 4.864 693 HG21 VAL 85 3HG2 VAL 85 19.965 6.533 4.934 694 HG22 VAL 85 1HG2 VAL 85 19.597 7.467 3.484 695 HG23 VAL 85 2HG2 VAL 85 18.418 7.368 4.792 696 H ILE 86 H ILE 86 19.546 2.308 3.151 697 HA ILE 86 HA ILE 86 17.952 1.860 0.711 698 HB ILE 86 HB ILE 86 19.568 -0.367 1.831 699 HG12 ILE 86 2HG1 ILE 86 20.762 1.897 0.216 700 HG13 ILE 86 3HG1 ILE 86 21.154 1.501 1.886 701 HG21 ILE 86 1HG2 ILE 86 19.792 -0.024 -0.979 702 HG22 ILE 86 2HG2 ILE 86 18.937 -1.282 -0.087 703 HG23 ILE 86 3HG2 ILE 86 18.103 0.209 -0.527 704 HD11 ILE 86 3HD1 ILE 86 21.739 -0.838 0.814 705 HD12 ILE 86 1HD1 ILE 86 21.959 0.156 -0.627 706 HD13 ILE 86 2HD1 ILE 86 22.892 0.496 0.831 707 H GLU 87 H GLU 87 16.077 0.791 0.911 708 HA GLU 87 HA GLU 87 15.537 -0.620 3.436 709 HB2 GLU 87 2HB GLU 87 13.351 0.312 3.584 710 HB3 GLU 87 3HB GLU 87 14.458 1.654 3.334 711 HG2 GLU 87 2HG GLU 87 12.924 2.264 1.813 712 HG3 GLU 87 3HG GLU 87 13.811 1.137 0.788 713 H LYS 88 H LYS 88 14.114 -2.383 3.312 714 HA LYS 88 HA LYS 88 12.824 -3.170 0.905 715 HB2 LYS 88 2HB LYS 88 15.230 -3.623 0.344 716 HB3 LYS 88 3HB LYS 88 15.261 -4.792 1.658 717 HG2 LYS 88 2HG LYS 88 13.195 -5.036 -0.480 718 HG3 LYS 88 3HG LYS 88 14.848 -5.574 -0.788 719 HD2 LYS 88 2HD LYS 88 14.402 -6.707 1.625 720 HD3 LYS 88 3HD LYS 88 12.769 -6.727 0.954 721 HE2 LYS 88 2HE LYS 88 13.525 -7.939 -0.980 722 HE3 LYS 88 3HE LYS 88 15.206 -7.787 -0.470 723 HZ1 LYS 88 3HZ LYS 88 13.242 -9.706 0.314 724 HZ2 LYS 88 1HZ LYS 88 13.953 -8.958 1.655 725 HZ3 LYS 88 2HZ LYS 88 14.922 -9.744 0.512 726 H GLY 89 H GLY 89 11.129 -4.351 1.504 727 HA2 GLY 89 2HA GLY 89 9.982 -6.085 2.574 728 HA3 GLY 89 3HA GLY 89 11.387 -6.353 3.595 729 H GLY 90 H GLY 90 11.138 -3.200 3.883 730 HA2 GLY 90 2HA GLY 90 9.640 -1.792 5.124 731 HA3 GLY 90 3HA GLY 90 8.959 -3.234 5.863 732 H GLU 91 H GLU 91 12.379 -2.409 5.493 733 HA GLU 91 HA GLU 91 12.764 -1.444 8.115 734 HB2 GLU 91 2HB GLU 91 12.640 -4.319 7.832 735 HB3 GLU 91 3HB GLU 91 14.229 -3.818 8.392 736 HG2 GLU 91 2HG GLU 91 12.388 -2.339 9.894 737 HG3 GLU 91 3HG GLU 91 11.759 -3.984 9.833 738 HA PRO 92 HA PRO 92 16.606 -0.274 6.346 739 HB2 PRO 92 2HB PRO 92 18.159 -0.036 8.560 740 HB3 PRO 92 3HB PRO 92 16.880 1.115 8.155 741 HG2 PRO 92 2HG PRO 92 16.827 -1.172 10.086 742 HG3 PRO 92 3HG PRO 92 16.187 0.470 10.279 743 HD2 PRO 92 2HD PRO 92 14.613 -1.643 9.655 744 HD3 PRO 92 3HD PRO 92 14.276 0.002 9.079 745 H LEU 93 H LEU 93 18.048 -1.452 5.268 746 HA LEU 93 HA LEU 93 19.206 -3.819 6.588 747 HB2 LEU 93 2HB LEU 93 17.550 -4.075 4.582 748 HB3 LEU 93 3HB LEU 93 18.954 -3.621 3.619 749 HG LEU 93 HG LEU 93 20.172 -5.561 4.603 750 HD11 LEU 93 1HD1 LEU 93 19.286 -6.940 6.137 751 HD12 LEU 93 2HD1 LEU 93 17.671 -6.855 5.435 752 HD13 LEU 93 3HD1 LEU 93 18.239 -5.567 6.498 753 HD21 LEU 93 3HD2 LEU 93 18.129 -5.526 2.628 754 HD22 LEU 93 1HD2 LEU 93 18.061 -7.074 3.470 755 HD23 LEU 93 2HD2 LEU 93 19.565 -6.548 2.713 756 H GLY 94 H GLY 94 19.730 -1.136 4.366 757 HA2 GLY 94 2HA GLY 94 22.631 -1.466 4.806 758 HA3 GLY 94 3HA GLY 94 21.987 -1.083 3.216 759 H GLU 95 H GLU 95 23.809 0.353 5.178 760 HA GLU 95 HA GLU 95 22.540 2.960 4.854 761 HB2 GLU 95 2HB GLU 95 22.961 3.649 7.125 762 HB3 GLU 95 3HB GLU 95 21.988 2.185 7.150 763 HG2 GLU 95 2HG GLU 95 24.539 1.200 7.257 764 HG3 GLU 95 3HG GLU 95 24.657 2.682 8.203 765 H VAL 96 H VAL 96 23.934 4.430 4.116 766 HA VAL 96 HA VAL 96 26.797 4.094 4.653 767 HB VAL 96 HB VAL 96 25.634 4.540 1.900 768 HG11 VAL 96 1HG1 VAL 96 27.589 5.836 1.982 769 HG12 VAL 96 2HG1 VAL 96 28.451 4.630 2.939 770 HG13 VAL 96 3HG1 VAL 96 28.088 4.316 1.241 771 HG21 VAL 96 3HG2 VAL 96 26.965 2.393 1.462 772 HG22 VAL 96 1HG2 VAL 96 26.970 2.197 3.214 773 HG23 VAL 96 2HG2 VAL 96 25.441 2.249 2.337 774 H LYS 97 H LYS 97 27.990 5.993 4.668 775 HA LYS 97 HA LYS 97 26.471 8.490 4.313 776 HB2 LYS 97 2HB LYS 97 27.329 9.409 6.309 777 HB3 LYS 97 3HB LYS 97 26.813 7.784 6.739 778 HG2 LYS 97 2HG LYS 97 29.106 7.000 6.630 779 HG3 LYS 97 3HG LYS 97 29.646 8.604 6.129 780 HD2 LYS 97 2HD LYS 97 29.963 9.025 8.300 781 HD3 LYS 97 3HD LYS 97 28.204 9.096 8.434 782 HE2 LYS 97 2HE LYS 97 28.066 7.073 9.444 783 HE3 LYS 97 3HE LYS 97 29.417 6.405 8.530 784 HZ1 LYS 97 3HZ LYS 97 29.948 6.633 10.878 785 HZ2 LYS 97 1HZ LYS 97 29.649 8.297 10.807 786 HZ3 LYS 97 2HZ LYS 97 30.940 7.632 9.940 787 H GLY 98 H GLY 98 27.483 10.076 3.210 788 HA2 GLY 98 2HA GLY 98 29.471 11.295 2.601 789 HA3 GLY 98 3HA GLY 98 30.375 9.792 2.721 790 HA PRO 99 HA PRO 99 28.774 10.748 -1.691 791 HB2 PRO 99 2HB PRO 99 30.996 11.900 -2.742 792 HB3 PRO 99 3HB PRO 99 29.697 12.831 -1.988 793 HG2 PRO 99 2HG PRO 99 32.325 11.975 -0.840 794 HG3 PRO 99 3HG PRO 99 31.500 13.539 -0.702 795 HD2 PRO 99 2HD PRO 99 31.448 11.685 1.271 796 HD3 PRO 99 3HD PRO 99 30.094 12.792 0.964 797 H ASP 100 H ASP 100 28.853 8.529 -2.022 798 HA ASP 100 HA ASP 100 31.361 7.548 -3.167 799 HB2 ASP 100 2HB ASP 100 31.179 5.414 -1.986 800 HB3 ASP 100 3HB ASP 100 31.319 6.744 -0.841 801 H ILE 101 H ILE 101 29.673 8.281 -4.913 802 HA ILE 101 HA ILE 101 27.446 6.715 -5.525 803 HB ILE 101 HB ILE 101 29.300 8.166 -7.417 804 HG12 ILE 101 2HG1 ILE 101 28.211 9.569 -5.672 805 HG13 ILE 101 3HG1 ILE 101 27.692 9.975 -7.304 806 HG21 ILE 101 1HG2 ILE 101 28.174 7.070 -9.008 807 HG22 ILE 101 2HG2 ILE 101 26.943 6.510 -7.876 808 HG23 ILE 101 3HG2 ILE 101 26.821 8.120 -8.585 809 HD11 ILE 101 3HD1 ILE 101 26.164 8.341 -5.294 810 HD12 ILE 101 1HD1 ILE 101 25.811 9.992 -5.802 811 HD13 ILE 101 2HD1 ILE 101 25.645 8.662 -6.948 812 H ASP 102 H ASP 102 30.827 6.078 -5.915 813 HA ASP 102 HA ASP 102 30.559 4.012 -7.873 814 HB2 ASP 102 2HB ASP 102 32.679 5.422 -6.711 815 HB3 ASP 102 3HB ASP 102 32.919 3.749 -6.213 816 H LYS 103 H LYS 103 31.212 3.972 -4.369 817 HA LYS 103 HA LYS 103 31.138 1.186 -4.063 818 HB2 LYS 103 2HB LYS 103 31.715 3.272 -2.424 819 HB3 LYS 103 3HB LYS 103 30.143 2.796 -1.796 820 HG2 LYS 103 2HG LYS 103 30.980 0.996 -0.797 821 HG3 LYS 103 3HG LYS 103 31.880 0.517 -2.237 822 HD2 LYS 103 2HD LYS 103 32.757 2.673 -0.319 823 HD3 LYS 103 3HD LYS 103 33.317 1.000 -0.261 824 HE2 LYS 103 2HE LYS 103 33.875 1.478 -2.800 825 HE3 LYS 103 3HE LYS 103 33.918 3.146 -2.232 826 HZ1 LYS 103 3HZ LYS 103 35.790 2.792 -1.059 827 HZ2 LYS 103 1HZ LYS 103 36.014 1.521 -2.153 828 HZ3 LYS 103 2HZ LYS 103 35.369 1.214 -0.619 829 H LEU 104 H LEU 104 28.630 3.434 -4.615 830 HA LEU 104 HA LEU 104 26.467 2.238 -3.314 831 HB2 LEU 104 2HB LEU 104 26.510 4.470 -4.460 832 HB3 LEU 104 3HB LEU 104 26.374 3.610 -5.993 833 HG LEU 104 HG LEU 104 24.229 2.599 -4.768 834 HD11 LEU 104 1HD1 LEU 104 23.154 4.662 -3.646 835 HD12 LEU 104 2HD1 LEU 104 24.817 5.190 -3.393 836 HD13 LEU 104 3HD1 LEU 104 24.264 3.661 -2.710 837 HD21 LEU 104 3HD2 LEU 104 23.708 5.294 -5.801 838 HD22 LEU 104 1HD2 LEU 104 23.099 3.730 -6.343 839 HD23 LEU 104 2HD2 LEU 104 24.696 4.279 -6.853 840 H ARG 105 H ARG 105 28.005 1.501 -6.389 841 HA ARG 105 HA ARG 105 26.077 -0.225 -7.447 842 HB2 ARG 105 2HB ARG 105 28.397 0.725 -8.373 843 HB3 ARG 105 3HB ARG 105 28.946 -0.871 -7.879 844 HG2 ARG 105 2HG ARG 105 27.676 -1.950 -9.453 845 HG3 ARG 105 3HG ARG 105 26.491 -0.645 -9.547 846 HD2 ARG 105 2HD ARG 105 27.528 0.011 -11.406 847 HD3 ARG 105 3HD ARG 105 28.859 0.532 -10.373 848 HE ARG 105 HE ARG 105 29.073 -2.228 -10.998 849 HH11 ARG 105 1HH1 ARG 105 29.538 0.953 -12.334 850 HH12 ARG 105 2HH1 ARG 105 30.761 0.447 -13.452 851 HH21 ARG 105 2HH2 ARG 105 31.411 -1.749 -13.526 852 HH22 ARG 105 1HH2 ARG 105 30.683 -2.906 -12.465 853 H GLU 106 H GLU 106 28.243 -0.631 -4.813 854 HA GLU 106 HA GLU 106 27.925 -3.540 -4.827 855 HB2 GLU 106 2HB GLU 106 29.477 -2.001 -2.770 856 HB3 GLU 106 3HB GLU 106 29.703 -3.659 -3.310 857 HG2 GLU 106 2HG GLU 106 30.250 -2.498 -5.599 858 HG3 GLU 106 3HG GLU 106 30.597 -1.116 -4.562 859 H THR 107 H THR 107 27.533 -0.822 -2.554 860 HA THR 107 HA THR 107 26.299 -2.155 -0.481 861 HB THR 107 HB THR 107 25.356 0.584 -1.272 862 HG1 THR 107 HG1 THR 107 27.510 0.870 -1.513 863 HG21 THR 107 3HG2 THR 107 24.795 -0.915 0.889 864 HG22 THR 107 1HG2 THR 107 24.858 0.847 0.926 865 HG23 THR 107 2HG2 THR 107 26.248 -0.097 1.464 866 H LEU 108 H LEU 108 24.900 -0.980 -3.487 867 HA LEU 108 HA LEU 108 22.208 -1.674 -2.677 868 HB2 LEU 108 2HB LEU 108 21.505 -0.494 -4.466 869 HB3 LEU 108 3HB LEU 108 23.120 0.201 -4.338 870 HG LEU 108 HG LEU 108 23.700 -1.764 -6.020 871 HD11 LEU 108 1HD1 LEU 108 21.675 -1.746 -7.666 872 HD12 LEU 108 2HD1 LEU 108 20.742 -1.420 -6.206 873 HD13 LEU 108 3HD1 LEU 108 21.716 -2.886 -6.321 874 HD21 LEU 108 3HD2 LEU 108 22.685 0.992 -6.420 875 HD22 LEU 108 1HD2 LEU 108 22.851 -0.028 -7.850 876 HD23 LEU 108 2HD2 LEU 108 24.251 0.288 -6.825 877 H ASP 109 H ASP 109 24.851 -3.127 -4.355 878 HA ASP 109 HA ASP 109 23.320 -5.088 -5.770 879 HB2 ASP 109 2HB ASP 109 25.371 -4.789 -6.778 880 HB3 ASP 109 3HB ASP 109 26.218 -4.607 -5.245 881 H GLU 110 H GLU 110 25.248 -5.113 -2.786 882 HA GLU 110 HA GLU 110 24.996 -7.793 -2.126 883 HB2 GLU 110 2HB GLU 110 25.007 -5.467 -0.195 884 HB3 GLU 110 3HB GLU 110 25.440 -7.130 0.175 885 HG2 GLU 110 2HG GLU 110 26.917 -5.647 -1.950 886 HG3 GLU 110 3HG GLU 110 27.294 -5.370 -0.251 887 H LEU 111 H LEU 111 22.632 -5.286 -2.064 888 HA LEU 111 HA LEU 111 20.804 -6.910 -0.448 889 HB2 LEU 111 2HB LEU 111 20.913 -4.651 0.273 890 HB3 LEU 111 3HB LEU 111 20.724 -4.050 -1.373 891 HG LEU 111 HG LEU 111 18.736 -3.911 0.291 892 HD11 LEU 111 1HD1 LEU 111 18.901 -3.685 -2.342 893 HD12 LEU 111 2HD1 LEU 111 17.354 -3.661 -1.498 894 HD13 LEU 111 3HD1 LEU 111 17.909 -5.141 -2.279 895 HD21 LEU 111 3HD2 LEU 111 17.975 -6.576 -0.755 896 HD22 LEU 111 1HD2 LEU 111 17.514 -5.769 0.745 897 HD23 LEU 111 2HD2 LEU 111 19.098 -6.532 0.605 898 H LEU 112 H LEU 112 20.755 -5.052 -3.493 899 HA LEU 112 HA LEU 112 18.334 -5.978 -4.476 900 HB2 LEU 112 2HB LEU 112 19.893 -4.160 -5.384 901 HB3 LEU 112 3HB LEU 112 20.711 -5.467 -6.237 902 HG LEU 112 HG LEU 112 18.656 -5.970 -7.455 903 HD11 LEU 112 1HD1 LEU 112 17.538 -3.858 -5.661 904 HD12 LEU 112 2HD1 LEU 112 16.876 -5.436 -6.085 905 HD13 LEU 112 3HD1 LEU 112 16.845 -4.123 -7.261 906 HD21 LEU 112 3HD2 LEU 112 20.359 -3.947 -7.942 907 HD22 LEU 112 1HD2 LEU 112 18.842 -3.053 -7.845 908 HD23 LEU 112 2HD2 LEU 112 19.016 -4.370 -9.005 909 H ALA 113 H ALA 113 21.406 -7.572 -4.296 910 HA ALA 113 HA ALA 113 20.717 -9.645 -6.184 911 HB1 ALA 113 1HB ALA 113 23.030 -9.012 -5.995 912 HB2 ALA 113 2HB ALA 113 23.029 -9.375 -4.269 913 HB3 ALA 113 3HB ALA 113 22.845 -10.677 -5.443 914 H ARG 114 H ARG 114 20.540 -9.132 -2.742 915 HA ARG 114 HA ARG 114 20.326 -11.764 -1.845 916 HB2 ARG 114 2HB ARG 114 20.520 -9.660 -0.444 917 HB3 ARG 114 3HB ARG 114 18.797 -9.427 -0.705 918 HG2 ARG 114 2HG ARG 114 18.355 -10.755 1.004 919 HG3 ARG 114 3HG ARG 114 19.184 -12.086 0.193 920 HD2 ARG 114 2HD ARG 114 21.338 -10.936 1.082 921 HD3 ARG 114 3HD ARG 114 20.237 -10.142 2.207 922 HE ARG 114 HE ARG 114 19.654 -12.830 2.351 923 HH11 ARG 114 1HH1 ARG 114 22.431 -10.805 2.903 924 HH12 ARG 114 2HH1 ARG 114 23.107 -11.838 4.118 925 HH21 ARG 114 2HH2 ARG 114 22.027 -13.769 4.712 926 HH22 ARG 114 1HH2 ARG 114 20.533 -14.199 3.950 927 H LEU 115 H LEU 115 17.687 -9.496 -2.636 928 HA LEU 115 HA LEU 115 15.551 -11.210 -2.292 929 HB2 LEU 115 2HB LEU 115 15.690 -8.677 -2.936 930 HB3 LEU 115 3HB LEU 115 15.552 -9.295 -4.581 931 HG LEU 115 HG LEU 115 13.544 -9.786 -2.383 932 HD11 LEU 115 1HD1 LEU 115 12.707 -7.782 -2.814 933 HD12 LEU 115 2HD1 LEU 115 12.488 -8.241 -4.502 934 HD13 LEU 115 3HD1 LEU 115 13.990 -7.476 -3.984 935 HD21 LEU 115 3HD2 LEU 115 13.234 -11.542 -3.836 936 HD22 LEU 115 1HD2 LEU 115 13.769 -10.618 -5.239 937 HD23 LEU 115 2HD2 LEU 115 12.175 -10.322 -4.545 938 H GLU 116 H GLU 116 17.372 -10.607 -5.293 939 HA GLU 116 HA GLU 116 16.287 -13.137 -6.345 940 HB2 GLU 116 2HB GLU 116 16.132 -10.595 -7.464 941 HB3 GLU 116 3HB GLU 116 17.439 -11.371 -8.348 942 HG2 GLU 116 2HG GLU 116 14.707 -12.573 -7.984 943 HG3 GLU 116 3HG GLU 116 15.196 -11.622 -9.386 Start of MODEL 11 1 H1 MET 1 H MET 1 2.891 0.113 -0.801 2 HA MET 1 HA MET 1 1.562 1.012 -3.199 3 HB2 MET 1 2HB MET 1 3.252 2.235 -1.092 4 HB3 MET 1 3HB MET 1 3.301 2.997 -2.676 5 HG2 MET 1 2HG MET 1 1.489 4.114 -2.076 6 HG3 MET 1 3HG MET 1 0.607 2.595 -2.213 7 HE1 MET 1 3HE MET 1 0.046 1.104 -0.605 8 HE2 MET 1 1HE MET 1 1.225 0.867 0.686 9 HE3 MET 1 2HE MET 1 -0.367 1.529 1.057 10 H ALA 2 H ALA 2 2.575 -0.745 -4.504 11 HA ALA 2 HA ALA 2 4.626 0.302 -6.132 12 HB1 ALA 2 1HB ALA 2 6.427 -1.261 -5.670 13 HB2 ALA 2 2HB ALA 2 6.048 -0.314 -4.231 14 HB3 ALA 2 3HB ALA 2 5.489 -1.982 -4.361 15 H ARG 3 H ARG 3 5.380 -1.350 -7.774 16 HA ARG 3 HA ARG 3 4.062 -3.810 -8.109 17 HB2 ARG 3 2HB ARG 3 2.574 -1.453 -8.947 18 HB3 ARG 3 3HB ARG 3 2.847 -2.569 -10.278 19 HG2 ARG 3 2HG ARG 3 1.333 -4.001 -9.510 20 HG3 ARG 3 3HG ARG 3 1.992 -3.939 -7.874 21 HD2 ARG 3 2HD ARG 3 0.810 -1.748 -7.582 22 HD3 ARG 3 3HD ARG 3 0.027 -2.035 -9.136 23 HE ARG 3 HE ARG 3 -0.593 -3.285 -6.623 24 HH11 ARG 3 1HH1 ARG 3 -0.745 -3.590 -10.088 25 HH12 ARG 3 2HH1 ARG 3 -2.086 -4.688 -10.063 26 HH21 ARG 3 2HH2 ARG 3 -3.003 -5.334 -8.065 27 HH22 ARG 3 1HH2 ARG 3 -2.358 -4.729 -6.577 28 HA PRO 4 HA PRO 4 7.099 -4.272 -11.239 29 HB2 PRO 4 2HB PRO 4 5.890 -5.960 -12.988 30 HB3 PRO 4 3HB PRO 4 6.466 -6.475 -11.399 31 HG2 PRO 4 2HG PRO 4 3.693 -5.751 -12.266 32 HG3 PRO 4 3HG PRO 4 4.230 -7.095 -11.240 33 HD2 PRO 4 2HD PRO 4 3.166 -4.821 -10.225 34 HD3 PRO 4 3HD PRO 4 4.405 -5.761 -9.369 35 H SER 5 H SER 5 7.655 -3.836 -13.458 36 HA SER 5 HA SER 5 5.844 -2.821 -15.361 37 HB2 SER 5 2HB SER 5 6.131 -0.484 -15.236 38 HB3 SER 5 3HB SER 5 5.864 -0.976 -13.564 39 HG SER 5 HG SER 5 8.159 -0.006 -14.794 40 H ASN 6 H ASN 6 7.324 -1.154 -16.862 41 HA ASN 6 HA ASN 6 9.301 -2.881 -17.955 42 HB2 ASN 6 2HB ASN 6 8.127 -0.255 -18.629 43 HB3 ASN 6 3HB ASN 6 9.770 -0.517 -19.207 44 HD21 ASN 6 2HD2 ASN 6 6.720 -2.058 -21.191 45 HD22 ASN 6 1HD2 ASN 6 6.608 -0.823 -19.988 46 H VAL 7 H VAL 7 11.479 -1.675 -18.652 47 HA VAL 7 HA VAL 7 12.768 -0.948 -16.120 48 HB VAL 7 HB VAL 7 14.894 -1.441 -17.278 49 HG11 VAL 7 1HG1 VAL 7 12.926 -3.707 -17.553 50 HG12 VAL 7 2HG1 VAL 7 14.666 -3.827 -17.287 51 HG13 VAL 7 3HG1 VAL 7 13.622 -3.177 -16.022 52 HG21 VAL 7 3HG2 VAL 7 13.372 -1.141 -19.589 53 HG22 VAL 7 1HG2 VAL 7 15.054 -1.661 -19.487 54 HG23 VAL 7 2HG2 VAL 7 13.761 -2.860 -19.526 55 H LYS 8 H LYS 8 11.263 1.079 -17.183 56 HA LYS 8 HA LYS 8 13.191 2.861 -18.503 57 HB2 LYS 8 2HB LYS 8 10.292 2.531 -18.640 58 HB3 LYS 8 3HB LYS 8 10.775 4.207 -18.414 59 HG2 LYS 8 2HG LYS 8 10.598 3.846 -20.743 60 HG3 LYS 8 3HG LYS 8 12.322 3.920 -20.370 61 HD2 LYS 8 2HD LYS 8 12.569 1.948 -21.368 62 HD3 LYS 8 3HD LYS 8 11.578 1.225 -20.100 63 HE2 LYS 8 2HE LYS 8 9.576 2.012 -21.508 64 HE3 LYS 8 3HE LYS 8 10.748 2.211 -22.810 65 HZ1 LYS 8 3HZ LYS 8 11.020 -0.009 -23.031 66 HZ2 LYS 8 1HZ LYS 8 9.449 -0.043 -22.403 67 HZ3 LYS 8 2HZ LYS 8 10.771 -0.335 -21.389 68 HA PRO 9 HA PRO 9 13.705 5.421 -14.978 69 HB2 PRO 9 2HB PRO 9 13.710 7.913 -16.056 70 HB3 PRO 9 3HB PRO 9 15.043 6.772 -16.268 71 HG2 PRO 9 2HG PRO 9 12.800 7.432 -18.136 72 HG3 PRO 9 3HG PRO 9 14.522 7.204 -18.492 73 HD2 PRO 9 2HD PRO 9 12.673 5.277 -18.941 74 HD3 PRO 9 3HD PRO 9 14.348 4.906 -18.484 75 H SER 10 H SER 10 12.592 6.603 -13.451 76 HA SER 10 HA SER 10 10.313 8.177 -13.946 77 HB2 SER 10 2HB SER 10 9.856 5.280 -13.479 78 HB3 SER 10 3HB SER 10 8.811 6.396 -12.601 79 HG SER 10 HG SER 10 8.807 5.734 -15.235 80 HA PRO 11 HA PRO 11 12.398 8.429 -9.780 81 HB2 PRO 11 2HB PRO 11 13.050 11.056 -9.986 82 HB3 PRO 11 3HB PRO 11 14.090 9.759 -10.583 83 HG2 PRO 11 2HG PRO 11 12.182 11.502 -12.092 84 HG3 PRO 11 3HG PRO 11 13.822 10.994 -12.535 85 HD2 PRO 11 2HD PRO 11 11.606 9.816 -13.554 86 HD3 PRO 11 3HD PRO 11 13.117 8.927 -13.273 87 H HIS 12 H HIS 12 11.814 9.886 -7.974 88 HA HIS 12 HA HIS 12 9.373 11.432 -8.306 89 HB2 HIS 12 2HB HIS 12 9.003 8.851 -7.692 90 HB3 HIS 12 3HB HIS 12 9.297 9.472 -6.071 91 HD1 HIS 12 HD1 HIS 12 7.059 10.323 -9.033 92 HD2 HIS 12 HD2 HIS 12 7.051 10.383 -4.879 93 HE1 HIS 12 HE1 HIS 12 4.751 11.077 -8.376 94 H VAL 13 H VAL 13 10.255 13.294 -7.579 95 HA VAL 13 HA VAL 13 11.926 13.337 -5.214 96 HB VAL 13 HB VAL 13 11.994 15.798 -5.601 97 HG11 VAL 13 1HG1 VAL 13 12.669 14.063 -7.975 98 HG12 VAL 13 2HG1 VAL 13 13.313 15.678 -7.673 99 HG13 VAL 13 3HG1 VAL 13 13.691 14.356 -6.568 100 HG21 VAL 13 3HG2 VAL 13 11.010 15.899 -8.252 101 HG22 VAL 13 1HG2 VAL 13 9.743 15.204 -7.241 102 HG23 VAL 13 2HG2 VAL 13 10.431 16.777 -6.837 103 H ILE 14 H ILE 14 11.244 13.687 -3.206 104 HA ILE 14 HA ILE 14 8.468 14.013 -2.632 105 HB ILE 14 HB ILE 14 9.096 13.991 -0.299 106 HG12 ILE 14 2HG1 ILE 14 11.810 13.639 -0.137 107 HG13 ILE 14 3HG1 ILE 14 11.682 14.867 -1.391 108 HG21 ILE 14 1HG2 ILE 14 10.168 11.845 -0.185 109 HG22 ILE 14 2HG2 ILE 14 9.108 11.872 -1.593 110 HG23 ILE 14 3HG2 ILE 14 10.850 12.052 -1.798 111 HD11 ILE 14 3HD1 ILE 14 10.917 15.004 1.482 112 HD12 ILE 14 1HD1 ILE 14 11.844 16.142 0.505 113 HD13 ILE 14 2HD1 ILE 14 10.094 16.032 0.310 114 H LYS 15 H LYS 15 7.786 15.699 -0.951 115 HA LYS 15 HA LYS 15 9.121 18.239 -1.036 116 HB2 LYS 15 2HB LYS 15 7.639 17.839 -3.224 117 HB3 LYS 15 3HB LYS 15 6.365 18.393 -2.146 118 HG2 LYS 15 2HG LYS 15 8.681 20.098 -1.963 119 HG3 LYS 15 3HG LYS 15 8.119 19.960 -3.630 120 HD2 LYS 15 2HD LYS 15 6.152 20.455 -1.434 121 HD3 LYS 15 3HD LYS 15 7.120 21.791 -2.062 122 HE2 LYS 15 2HE LYS 15 6.309 21.295 -4.325 123 HE3 LYS 15 3HE LYS 15 5.327 19.981 -3.679 124 HZ1 LYS 15 3HZ LYS 15 5.000 22.889 -3.264 125 HZ2 LYS 15 1HZ LYS 15 4.282 21.763 -2.225 126 HZ3 LYS 15 2HZ LYS 15 3.876 21.778 -3.867 127 H SER 16 H SER 16 7.981 16.240 0.859 128 HA SER 16 HA SER 16 7.052 17.993 2.827 129 HB2 SER 16 2HB SER 16 4.996 17.035 1.012 130 HB3 SER 16 3HB SER 16 4.671 16.542 2.674 131 HG SER 16 HG SER 16 4.874 19.120 1.584 132 H LEU 17 H LEU 17 6.320 16.851 4.794 133 HA LEU 17 HA LEU 17 7.952 14.657 5.380 134 HB2 LEU 17 2HB LEU 17 6.568 16.415 6.859 135 HB3 LEU 17 3HB LEU 17 5.499 15.019 6.991 136 HG LEU 17 HG LEU 17 7.462 13.708 7.836 137 HD11 LEU 17 1HD1 LEU 17 9.023 15.614 6.852 138 HD12 LEU 17 2HD1 LEU 17 9.498 14.632 8.237 139 HD13 LEU 17 3HD1 LEU 17 8.842 16.250 8.487 140 HD21 LEU 17 3HD2 LEU 17 7.370 14.663 10.081 141 HD22 LEU 17 1HD2 LEU 17 5.770 14.625 9.339 142 HD23 LEU 17 2HD2 LEU 17 6.665 16.143 9.430 143 H GLU 18 H GLU 18 4.408 14.751 4.982 144 HA GLU 18 HA GLU 18 3.878 12.058 5.257 145 HB2 GLU 18 2HB GLU 18 2.459 14.339 4.432 146 HB3 GLU 18 3HB GLU 18 2.261 13.165 3.139 147 HG2 GLU 18 2HG GLU 18 1.667 12.661 6.045 148 HG3 GLU 18 3HG GLU 18 0.471 13.046 4.809 149 H GLU 19 H GLU 19 4.634 13.813 2.253 150 HA GLU 19 HA GLU 19 4.469 11.729 0.455 151 HB2 GLU 19 2HB GLU 19 5.320 14.358 0.367 152 HB3 GLU 19 3HB GLU 19 6.768 13.455 -0.057 153 HG2 GLU 19 2HG GLU 19 5.787 13.845 -2.106 154 HG3 GLU 19 3HG GLU 19 5.241 12.214 -1.718 155 H LEU 20 H LEU 20 7.139 12.587 2.596 156 HA LEU 20 HA LEU 20 9.010 10.742 1.557 157 HB2 LEU 20 2HB LEU 20 9.163 12.767 3.307 158 HB3 LEU 20 3HB LEU 20 9.116 11.414 4.436 159 HG LEU 20 HG LEU 20 11.068 10.467 3.039 160 HD11 LEU 20 1HD1 LEU 20 11.921 11.678 1.387 161 HD12 LEU 20 2HD1 LEU 20 12.043 13.102 2.420 162 HD13 LEU 20 3HD1 LEU 20 10.546 12.770 1.548 163 HD21 LEU 20 3HD2 LEU 20 11.605 12.960 4.640 164 HD22 LEU 20 1HD2 LEU 20 12.648 11.551 4.442 165 HD23 LEU 20 2HD2 LEU 20 11.151 11.417 5.365 166 H ARG 21 H ARG 21 7.221 10.574 4.642 167 HA ARG 21 HA ARG 21 7.821 7.945 5.263 168 HB2 ARG 21 2HB ARG 21 6.800 9.356 6.908 169 HB3 ARG 21 3HB ARG 21 5.375 9.591 5.905 170 HG2 ARG 21 2HG ARG 21 4.735 7.283 6.202 171 HG3 ARG 21 3HG ARG 21 6.214 6.962 7.109 172 HD2 ARG 21 2HD ARG 21 4.298 9.085 7.999 173 HD3 ARG 21 3HD ARG 21 4.015 7.392 8.400 174 HE ARG 21 HE ARG 21 6.619 7.930 9.135 175 HH11 ARG 21 1HH1 ARG 21 3.446 9.099 9.961 176 HH12 ARG 21 2HH1 ARG 21 3.880 9.518 11.585 177 HH21 ARG 21 2HH2 ARG 21 6.018 9.164 12.329 178 HH22 ARG 21 1HH2 ARG 21 7.203 8.477 11.271 179 H GLU 22 H GLU 22 5.531 9.213 2.978 180 HA GLU 22 HA GLU 22 4.121 6.711 2.663 181 HB2 GLU 22 2HB GLU 22 2.872 8.746 2.336 182 HB3 GLU 22 3HB GLU 22 4.017 9.309 1.127 183 HG2 GLU 22 2HG GLU 22 2.962 6.743 0.385 184 HG3 GLU 22 3HG GLU 22 1.656 7.882 0.708 185 H ALA 23 H ALA 23 6.776 8.390 1.161 186 HA ALA 23 HA ALA 23 6.829 6.837 -1.235 187 HB1 ALA 23 1HB ALA 23 8.084 8.597 -1.767 188 HB2 ALA 23 2HB ALA 23 8.359 9.007 -0.074 189 HB3 ALA 23 3HB ALA 23 9.391 7.820 -0.873 190 H THR 24 H THR 24 7.997 6.389 1.983 191 HA THR 24 HA THR 24 10.042 4.495 1.389 192 HB THR 24 HB THR 24 9.311 3.880 3.947 193 HG1 THR 24 HG1 THR 24 8.952 6.668 3.878 194 HG21 THR 24 3HG2 THR 24 11.015 5.698 4.573 195 HG22 THR 24 1HG2 THR 24 11.126 6.004 2.840 196 HG23 THR 24 2HG2 THR 24 11.546 4.416 3.484 197 H ALA 25 H ALA 25 6.615 4.327 1.612 198 HA ALA 25 HA ALA 25 6.251 1.650 2.355 199 HB1 ALA 25 1HB ALA 25 4.050 1.842 1.277 200 HB2 ALA 25 2HB ALA 25 4.412 3.230 2.304 201 HB3 ALA 25 3HB ALA 25 4.552 3.370 0.552 202 H SER 26 H SER 26 7.281 3.084 -0.630 203 HA SER 26 HA SER 26 6.639 1.040 -2.429 204 HB2 SER 26 2HB SER 26 7.756 2.308 -3.929 205 HB3 SER 26 3HB SER 26 7.890 3.476 -2.615 206 HG SER 26 HG SER 26 9.954 3.122 -2.562 207 H ASN 27 H ASN 27 7.708 -0.780 -3.132 208 HA ASN 27 HA ASN 27 9.988 -1.653 -1.481 209 HB2 ASN 27 2HB ASN 27 8.012 -2.948 -0.912 210 HB3 ASN 27 3HB ASN 27 7.727 -3.316 -2.611 211 HD21 ASN 27 2HD2 ASN 27 9.392 -6.308 -2.167 212 HD22 ASN 27 1HD2 ASN 27 7.962 -5.463 -2.644 213 H ARG 28 H ARG 28 11.147 -0.506 -3.294 214 HA ARG 28 HA ARG 28 11.973 -2.491 -5.239 215 HB2 ARG 28 2HB ARG 28 10.778 0.162 -6.043 216 HB3 ARG 28 3HB ARG 28 11.787 -0.801 -7.115 217 HG2 ARG 28 2HG ARG 28 9.191 -1.707 -5.887 218 HG3 ARG 28 3HG ARG 28 9.400 -1.128 -7.541 219 HD2 ARG 28 2HD ARG 28 11.334 -3.124 -7.169 220 HD3 ARG 28 3HD ARG 28 9.850 -3.750 -6.453 221 HE ARG 28 HE ARG 28 8.934 -3.897 -8.550 222 HH11 ARG 28 1HH1 ARG 28 11.824 -1.962 -8.683 223 HH12 ARG 28 2HH1 ARG 28 11.860 -1.900 -10.414 224 HH21 ARG 28 2HH2 ARG 28 10.235 -2.958 -11.634 225 HH22 ARG 28 1HH2 ARG 28 8.970 -3.823 -10.830 226 H ILE 29 H ILE 29 13.122 -1.102 -2.927 227 HA ILE 29 HA ILE 29 15.093 -0.162 -2.285 228 HB ILE 29 HB ILE 29 15.883 -0.854 -5.116 229 HG12 ILE 29 2HG1 ILE 29 17.209 -2.625 -3.697 230 HG13 ILE 29 3HG1 ILE 29 15.980 -2.281 -2.484 231 HG21 ILE 29 1HG2 ILE 29 17.704 0.377 -4.774 232 HG22 ILE 29 2HG2 ILE 29 17.263 0.674 -3.093 233 HG23 ILE 29 3HG2 ILE 29 18.163 -0.780 -3.525 234 HD11 ILE 29 3HD1 ILE 29 15.018 -2.860 -5.212 235 HD12 ILE 29 1HD1 ILE 29 15.730 -4.199 -4.313 236 HD13 ILE 29 2HD1 ILE 29 14.352 -3.323 -3.646 237 H SER 30 H SER 30 14.600 1.935 -1.881 238 HA SER 30 HA SER 30 14.909 3.833 -4.116 239 HB2 SER 30 2HB SER 30 13.278 4.284 -1.609 240 HB3 SER 30 3HB SER 30 13.332 5.306 -3.045 241 HG SER 30 HG SER 30 12.529 3.340 -4.167 242 H VAL 31 H VAL 31 16.766 4.890 -3.992 243 HA VAL 31 HA VAL 31 18.363 5.002 -1.651 244 HB VAL 31 HB VAL 31 18.672 6.806 -4.044 245 HG11 VAL 31 1HG1 VAL 31 20.824 5.557 -2.364 246 HG12 VAL 31 2HG1 VAL 31 20.932 6.952 -3.440 247 HG13 VAL 31 3HG1 VAL 31 20.057 7.080 -1.914 248 HG21 VAL 31 3HG2 VAL 31 19.447 3.912 -3.738 249 HG22 VAL 31 1HG2 VAL 31 18.426 4.637 -4.981 250 HG23 VAL 31 2HG2 VAL 31 20.155 4.984 -4.947 251 H ILE 32 H ILE 32 17.868 6.178 0.077 252 HA ILE 32 HA ILE 32 16.403 8.685 -0.230 253 HB ILE 32 HB ILE 32 17.168 7.159 2.262 254 HG12 ILE 32 2HG1 ILE 32 14.341 7.444 1.759 255 HG13 ILE 32 3HG1 ILE 32 15.132 6.704 0.372 256 HG21 ILE 32 1HG2 ILE 32 15.616 8.689 3.414 257 HG22 ILE 32 2HG2 ILE 32 17.013 9.524 2.738 258 HG23 ILE 32 3HG2 ILE 32 15.452 9.615 1.922 259 HD11 ILE 32 3HD1 ILE 32 14.948 4.783 1.458 260 HD12 ILE 32 1HD1 ILE 32 16.210 5.374 2.538 261 HD13 ILE 32 2HD1 ILE 32 14.512 5.591 2.964 262 H VAL 33 H VAL 33 17.823 10.229 -0.889 263 HA VAL 33 HA VAL 33 20.231 10.645 0.757 264 HB VAL 33 HB VAL 33 19.721 11.775 -1.994 265 HG11 VAL 33 1HG1 VAL 33 22.200 12.073 -1.952 266 HG12 VAL 33 2HG1 VAL 33 21.331 13.057 -0.773 267 HG13 VAL 33 3HG1 VAL 33 22.175 11.597 -0.255 268 HG21 VAL 33 3HG2 VAL 33 21.373 10.028 -2.737 269 HG22 VAL 33 1HG2 VAL 33 21.144 9.254 -1.169 270 HG23 VAL 33 2HG2 VAL 33 19.784 9.416 -2.279 271 H PHE 34 H PHE 34 20.338 12.393 2.005 272 HA PHE 34 HA PHE 34 18.366 14.537 1.562 273 HB2 PHE 34 2HB PHE 34 19.101 14.930 4.126 274 HB3 PHE 34 3HB PHE 34 17.758 13.894 3.657 275 HD1 PHE 34 HD1 PHE 34 18.015 11.455 3.649 276 HD2 PHE 34 HD2 PHE 34 21.108 14.027 5.043 277 HE1 PHE 34 HE1 PHE 34 19.097 9.546 4.762 278 HE2 PHE 34 HE2 PHE 34 22.195 12.121 6.157 279 HZ PHE 34 HZ PHE 34 21.190 9.877 6.017 280 H THR 35 H THR 35 19.436 16.051 0.420 281 HA THR 35 HA THR 35 21.859 17.178 1.642 282 HB THR 35 HB THR 35 22.558 17.689 -0.817 283 HG1 THR 35 HG1 THR 35 20.895 15.395 -1.155 284 HG21 THR 35 3HG2 THR 35 23.164 14.931 -0.670 285 HG22 THR 35 1HG2 THR 35 23.105 15.538 0.985 286 HG23 THR 35 2HG2 THR 35 24.178 16.293 -0.194 287 H HIS 36 H HIS 36 22.024 19.382 1.589 288 HA HIS 36 HA HIS 36 19.604 20.831 0.947 289 HB2 HIS 36 2HB HIS 36 20.801 22.768 1.944 290 HB3 HIS 36 3HB HIS 36 20.735 21.375 3.019 291 HD1 HIS 36 HD1 HIS 36 22.929 20.399 3.791 292 HD2 HIS 36 HD2 HIS 36 23.392 23.252 0.807 293 HE1 HIS 36 HE1 HIS 36 25.402 20.838 3.658 294 HA PRO 37 HA PRO 37 20.793 22.395 -2.979 295 HB2 PRO 37 2HB PRO 37 19.556 24.811 -2.956 296 HB3 PRO 37 3HB PRO 37 18.680 23.285 -3.122 297 HG2 PRO 37 2HG PRO 37 19.088 24.980 -0.688 298 HG3 PRO 37 3HG PRO 37 17.618 24.160 -1.247 299 HD2 PRO 37 2HD PRO 37 19.190 23.156 0.715 300 HD3 PRO 37 3HD PRO 37 18.286 22.120 -0.408 301 H ASP 38 H ASP 38 21.715 24.429 -4.033 302 HA ASP 38 HA ASP 38 23.583 25.726 -4.255 303 HB2 ASP 38 2HB ASP 38 22.280 27.457 -3.347 304 HB3 ASP 38 3HB ASP 38 22.290 26.742 -1.738 305 H SER 39 H SER 39 25.126 24.054 -4.096 306 HA SER 39 HA SER 39 27.146 24.434 -2.215 307 HB2 SER 39 2HB SER 39 25.796 23.453 -0.520 308 HB3 SER 39 3HB SER 39 25.268 22.154 -1.590 309 HG SER 39 HG SER 39 27.965 22.531 -0.806 310 H LYS 40 H LYS 40 28.328 24.340 -4.138 311 HA LYS 40 HA LYS 40 28.293 22.319 -6.038 312 HB2 LYS 40 2HB LYS 40 29.878 24.588 -5.471 313 HB3 LYS 40 3HB LYS 40 30.989 23.237 -5.651 314 HG2 LYS 40 2HG LYS 40 29.527 22.773 -7.797 315 HG3 LYS 40 3HG LYS 40 29.191 24.499 -7.648 316 HD2 LYS 40 2HD LYS 40 31.194 25.015 -8.471 317 HD3 LYS 40 3HD LYS 40 31.999 23.990 -7.280 318 HE2 LYS 40 2HE LYS 40 32.578 23.226 -9.485 319 HE3 LYS 40 3HE LYS 40 31.530 22.030 -8.724 320 HZ1 LYS 40 3HZ LYS 40 30.724 22.277 -10.890 321 HZ2 LYS 40 1HZ LYS 40 30.849 23.964 -10.855 322 HZ3 LYS 40 2HZ LYS 40 29.656 23.186 -9.943 323 H ARG 41 H ARG 41 30.375 22.600 -3.163 324 HA ARG 41 HA ARG 41 31.839 20.266 -3.489 325 HB2 ARG 41 2HB ARG 41 32.494 20.496 -1.256 326 HB3 ARG 41 3HB ARG 41 32.095 22.138 -1.740 327 HG2 ARG 41 2HG ARG 41 30.962 22.131 0.201 328 HG3 ARG 41 3HG ARG 41 29.714 21.360 -0.779 329 HD2 ARG 41 2HD ARG 41 29.812 19.546 0.496 330 HD3 ARG 41 3HD ARG 41 31.522 19.354 0.111 331 HE ARG 41 HE ARG 41 31.305 21.311 2.085 332 HH11 ARG 41 1HH1 ARG 41 30.728 17.901 1.691 333 HH12 ARG 41 2HH1 ARG 41 31.035 17.524 3.354 334 HH21 ARG 41 2HH2 ARG 41 31.592 19.190 4.825 335 HH22 ARG 41 1HH2 ARG 41 31.710 20.828 4.277 336 H SER 42 H SER 42 28.543 20.696 -2.539 337 HA SER 42 HA SER 42 28.340 17.810 -1.972 338 HB2 SER 42 2HB SER 42 27.780 19.629 -0.139 339 HB3 SER 42 3HB SER 42 26.254 19.732 -1.018 340 HG SER 42 HG SER 42 26.428 18.144 0.774 341 H LYS 43 H LYS 43 28.180 19.259 -4.552 342 HA LYS 43 HA LYS 43 25.602 18.166 -5.399 343 HB2 LYS 43 2HB LYS 43 26.543 20.990 -5.824 344 HB3 LYS 43 3HB LYS 43 25.413 20.233 -6.939 345 HG2 LYS 43 2HG LYS 43 24.546 19.856 -4.225 346 HG3 LYS 43 3HG LYS 43 24.824 21.567 -4.559 347 HD2 LYS 43 2HD LYS 43 23.076 21.700 -5.970 348 HD3 LYS 43 3HD LYS 43 23.408 20.120 -6.685 349 HE2 LYS 43 2HE LYS 43 22.529 19.173 -4.456 350 HE3 LYS 43 3HE LYS 43 21.856 20.782 -4.205 351 HZ1 LYS 43 3HZ LYS 43 21.033 18.700 -6.046 352 HZ2 LYS 43 1HZ LYS 43 21.028 20.267 -6.684 353 HZ3 LYS 43 2HZ LYS 43 20.118 19.913 -5.303 354 H GLU 44 H GLU 44 28.707 17.833 -5.664 355 HA GLU 44 HA GLU 44 29.058 17.965 -8.532 356 HB2 GLU 44 2HB GLU 44 30.840 16.887 -6.342 357 HB3 GLU 44 3HB GLU 44 31.291 16.974 -8.038 358 HG2 GLU 44 2HG GLU 44 30.359 19.532 -7.166 359 HG3 GLU 44 3HG GLU 44 31.600 18.940 -6.062 360 H ILE 45 H ILE 45 28.943 15.400 -6.068 361 HA ILE 45 HA ILE 45 29.133 13.241 -7.864 362 HB ILE 45 HB ILE 45 28.179 11.872 -6.020 363 HG12 ILE 45 2HG1 ILE 45 28.045 13.279 -3.794 364 HG13 ILE 45 3HG1 ILE 45 27.675 14.600 -4.898 365 HG21 ILE 45 1HG2 ILE 45 30.631 12.861 -6.235 366 HG22 ILE 45 2HG2 ILE 45 30.183 13.623 -4.710 367 HG23 ILE 45 3HG2 ILE 45 30.140 11.867 -4.864 368 HD11 ILE 45 3HD1 ILE 45 25.912 12.718 -3.841 369 HD12 ILE 45 1HD1 ILE 45 25.582 13.918 -5.090 370 HD13 ILE 45 2HD1 ILE 45 26.098 12.293 -5.543 371 H LYS 46 H LYS 46 26.598 15.410 -7.257 372 HA LYS 46 HA LYS 46 24.294 13.920 -7.535 373 HB2 LYS 46 2HB LYS 46 24.925 16.664 -8.634 374 HB3 LYS 46 3HB LYS 46 23.308 15.972 -8.582 375 HG2 LYS 46 2HG LYS 46 25.034 16.415 -6.156 376 HG3 LYS 46 3HG LYS 46 23.808 17.548 -6.730 377 HD2 LYS 46 2HD LYS 46 22.067 15.933 -6.380 378 HD3 LYS 46 3HD LYS 46 23.246 14.673 -6.009 379 HE2 LYS 46 2HE LYS 46 23.750 16.859 -4.279 380 HE3 LYS 46 3HE LYS 46 22.014 16.551 -4.252 381 HZ1 LYS 46 3HZ LYS 46 22.694 14.124 -3.934 382 HZ2 LYS 46 1HZ LYS 46 22.862 15.167 -2.613 383 HZ3 LYS 46 2HZ LYS 46 24.219 14.729 -3.522 384 H GLU 47 H GLU 47 26.292 15.311 -10.132 385 HA GLU 47 HA GLU 47 24.757 14.335 -12.273 386 HB2 GLU 47 2HB GLU 47 27.089 15.856 -11.967 387 HB3 GLU 47 3HB GLU 47 27.576 14.458 -12.914 388 HG2 GLU 47 2HG GLU 47 26.949 16.165 -14.431 389 HG3 GLU 47 3HG GLU 47 25.682 14.940 -14.462 390 H LYS 48 H LYS 48 27.481 12.941 -10.508 391 HA LYS 48 HA LYS 48 27.960 10.723 -12.132 392 HB2 LYS 48 2HB LYS 48 28.188 10.725 -9.123 393 HB3 LYS 48 3HB LYS 48 29.117 9.770 -10.272 394 HG2 LYS 48 2HG LYS 48 30.076 11.914 -11.140 395 HG3 LYS 48 3HG LYS 48 29.285 12.734 -9.792 396 HD2 LYS 48 2HD LYS 48 30.963 12.183 -8.443 397 HD3 LYS 48 3HD LYS 48 30.708 10.471 -8.791 398 HE2 LYS 48 2HE LYS 48 32.100 10.701 -10.809 399 HE3 LYS 48 3HE LYS 48 32.385 12.393 -10.404 400 HZ1 LYS 48 3HZ LYS 48 33.081 10.180 -8.563 401 HZ2 LYS 48 1HZ LYS 48 33.596 11.790 -8.499 402 HZ3 LYS 48 2HZ LYS 48 34.163 10.769 -9.723 403 H LEU 49 H LEU 49 25.726 11.113 -9.405 404 HA LEU 49 HA LEU 49 24.761 8.426 -9.538 405 HB2 LEU 49 2HB LEU 49 24.734 9.918 -7.511 406 HB3 LEU 49 3HB LEU 49 23.405 10.794 -8.267 407 HG LEU 49 HG LEU 49 22.150 8.589 -8.291 408 HD11 LEU 49 1HD1 LEU 49 23.988 7.071 -7.977 409 HD12 LEU 49 2HD1 LEU 49 22.895 6.943 -6.600 410 HD13 LEU 49 3HD1 LEU 49 24.408 7.834 -6.444 411 HD21 LEU 49 3HD2 LEU 49 21.962 8.761 -5.629 412 HD22 LEU 49 1HD2 LEU 49 21.255 9.953 -6.720 413 HD23 LEU 49 2HD2 LEU 49 22.810 10.274 -5.951 414 H LYS 50 H LYS 50 23.786 11.502 -10.903 415 HA LYS 50 HA LYS 50 21.205 10.789 -11.755 416 HB2 LYS 50 2HB LYS 50 21.867 13.102 -11.727 417 HB3 LYS 50 3HB LYS 50 23.179 12.792 -12.857 418 HG2 LYS 50 2HG LYS 50 20.731 11.935 -14.036 419 HG3 LYS 50 3HG LYS 50 20.533 13.578 -13.422 420 HD2 LYS 50 2HD LYS 50 22.893 13.901 -14.579 421 HD3 LYS 50 3HD LYS 50 22.330 12.543 -15.555 422 HE2 LYS 50 2HE LYS 50 20.839 13.807 -16.649 423 HE3 LYS 50 3HE LYS 50 20.317 14.625 -15.178 424 HZ1 LYS 50 3HZ LYS 50 21.287 16.259 -16.540 425 HZ2 LYS 50 1HZ LYS 50 22.627 15.294 -16.906 426 HZ3 LYS 50 2HZ LYS 50 22.443 15.929 -15.350 427 H LYS 51 H LYS 51 24.367 10.446 -13.288 428 HA LYS 51 HA LYS 51 23.374 9.502 -15.779 429 HB2 LYS 51 2HB LYS 51 26.068 9.445 -14.447 430 HB3 LYS 51 3HB LYS 51 25.797 8.619 -15.976 431 HG2 LYS 51 2HG LYS 51 25.335 10.632 -17.101 432 HG3 LYS 51 3HG LYS 51 25.160 11.527 -15.589 433 HD2 LYS 51 2HD LYS 51 27.432 11.642 -15.239 434 HD3 LYS 51 3HD LYS 51 27.759 10.189 -16.187 435 HE2 LYS 51 2HE LYS 51 26.718 11.842 -18.077 436 HE3 LYS 51 3HE LYS 51 27.542 12.996 -17.030 437 HZ1 LYS 51 3HZ LYS 51 28.645 11.029 -18.821 438 HZ2 LYS 51 1HZ LYS 51 29.366 11.026 -17.290 439 HZ3 LYS 51 2HZ LYS 51 29.339 12.446 -18.209 440 H LEU 52 H LEU 52 24.300 7.961 -12.768 441 HA LEU 52 HA LEU 52 24.542 5.324 -13.570 442 HB2 LEU 52 2HB LEU 52 25.075 5.998 -11.331 443 HB3 LEU 52 3HB LEU 52 23.405 6.475 -11.030 444 HG LEU 52 HG LEU 52 23.892 3.634 -11.726 445 HD11 LEU 52 1HD1 LEU 52 24.743 4.894 -9.130 446 HD12 LEU 52 2HD1 LEU 52 25.705 3.899 -10.223 447 HD13 LEU 52 3HD1 LEU 52 24.386 3.175 -9.303 448 HD21 LEU 52 3HD2 LEU 52 22.095 5.139 -9.835 449 HD22 LEU 52 1HD2 LEU 52 22.174 3.379 -9.913 450 HD23 LEU 52 2HD2 LEU 52 21.646 4.301 -11.321 451 H ALA 53 H ALA 53 21.707 7.297 -13.316 452 HA ALA 53 HA ALA 53 19.682 5.442 -13.031 453 HB1 ALA 53 1HB ALA 53 19.294 7.627 -15.009 454 HB2 ALA 53 2HB ALA 53 18.244 7.086 -13.699 455 HB3 ALA 53 3HB ALA 53 19.669 8.063 -13.341 456 H GLU 54 H GLU 54 21.752 6.023 -15.758 457 HA GLU 54 HA GLU 54 20.108 4.653 -17.669 458 HB2 GLU 54 2HB GLU 54 21.680 6.370 -18.397 459 HB3 GLU 54 3HB GLU 54 23.027 5.434 -17.765 460 HG2 GLU 54 2HG GLU 54 21.317 4.043 -19.711 461 HG3 GLU 54 3HG GLU 54 22.241 5.407 -20.337 462 H GLU 55 H GLU 55 22.901 3.827 -15.671 463 HA GLU 55 HA GLU 55 23.418 1.292 -16.760 464 HB2 GLU 55 2HB GLU 55 25.138 1.978 -15.406 465 HB3 GLU 55 3HB GLU 55 24.060 2.674 -14.205 466 HG2 GLU 55 2HG GLU 55 24.073 -0.276 -14.539 467 HG3 GLU 55 3HG GLU 55 25.440 0.486 -13.728 468 H PHE 56 H PHE 56 21.072 2.392 -14.418 469 HA PHE 56 HA PHE 56 19.607 -0.069 -14.654 470 HB2 PHE 56 2HB PHE 56 21.387 -0.461 -12.849 471 HB3 PHE 56 3HB PHE 56 20.479 0.686 -11.870 472 HD1 PHE 56 HD1 PHE 56 19.415 -2.074 -14.140 473 HD2 PHE 56 HD2 PHE 56 19.383 -0.452 -10.205 474 HE1 PHE 56 HE1 PHE 56 17.922 -3.888 -13.408 475 HE2 PHE 56 HE2 PHE 56 17.890 -2.263 -9.467 476 HZ PHE 56 HZ PHE 56 17.158 -3.985 -11.069 477 HA PRO 57 HA PRO 57 17.101 3.769 -13.980 478 HB2 PRO 57 2HB PRO 57 15.384 3.277 -16.025 479 HB3 PRO 57 3HB PRO 57 16.924 4.116 -16.245 480 HG2 PRO 57 2HG PRO 57 16.238 1.248 -16.763 481 HG3 PRO 57 3HG PRO 57 17.197 2.366 -17.751 482 HD2 PRO 57 2HD PRO 57 18.330 0.508 -16.139 483 HD3 PRO 57 3HD PRO 57 19.088 2.080 -16.464 484 H ASP 58 H ASP 58 16.638 0.419 -13.855 485 HA ASP 58 HA ASP 58 13.836 0.354 -13.330 486 HB2 ASP 58 2HB ASP 58 14.566 -1.729 -13.971 487 HB3 ASP 58 3HB ASP 58 16.101 -1.571 -13.120 488 H VAL 59 H VAL 59 16.608 1.141 -11.461 489 HA VAL 59 HA VAL 59 15.359 0.642 -8.902 490 HB VAL 59 HB VAL 59 17.836 0.449 -9.286 491 HG11 VAL 59 1HG1 VAL 59 18.277 3.306 -8.861 492 HG12 VAL 59 2HG1 VAL 59 19.110 2.175 -9.929 493 HG13 VAL 59 3HG1 VAL 59 17.593 2.918 -10.439 494 HG21 VAL 59 3HG2 VAL 59 18.421 1.269 -7.117 495 HG22 VAL 59 1HG2 VAL 59 17.089 2.425 -7.136 496 HG23 VAL 59 2HG2 VAL 59 16.755 0.695 -7.043 497 H ASP 60 H ASP 60 14.950 2.301 -7.327 498 HA ASP 60 HA ASP 60 13.921 4.744 -8.568 499 HB2 ASP 60 2HB ASP 60 13.351 4.352 -5.723 500 HB3 ASP 60 3HB ASP 60 12.250 4.679 -7.058 501 H ILE 61 H ILE 61 15.087 6.535 -8.460 502 HA ILE 61 HA ILE 61 16.801 6.963 -6.103 503 HB ILE 61 HB ILE 61 17.551 8.002 -8.818 504 HG12 ILE 61 2HG1 ILE 61 19.237 5.878 -8.413 505 HG13 ILE 61 3HG1 ILE 61 17.706 5.239 -7.825 506 HG21 ILE 61 1HG2 ILE 61 18.519 8.563 -6.354 507 HG22 ILE 61 2HG2 ILE 61 19.579 7.238 -6.833 508 HG23 ILE 61 3HG2 ILE 61 19.461 8.681 -7.840 509 HD11 ILE 61 3HD1 ILE 61 17.740 6.623 -10.450 510 HD12 ILE 61 1HD1 ILE 61 18.422 5.001 -10.338 511 HD13 ILE 61 2HD1 ILE 61 16.740 5.285 -9.887 512 H TYR 62 H TYR 62 16.014 8.613 -4.985 513 HA TYR 62 HA TYR 62 15.139 11.010 -6.445 514 HB2 TYR 62 2HB TYR 62 13.194 11.264 -5.160 515 HB3 TYR 62 3HB TYR 62 13.227 9.543 -5.531 516 HD1 TYR 62 HD1 TYR 62 14.639 8.142 -3.685 517 HD2 TYR 62 HD2 TYR 62 12.612 11.821 -3.007 518 HE1 TYR 62 HE1 TYR 62 14.504 7.618 -1.286 519 HE2 TYR 62 HE2 TYR 62 12.471 11.307 -0.606 520 HH TYR 62 HH TYR 62 12.521 9.350 0.864 521 H LEU 63 H LEU 63 15.504 12.981 -5.404 522 HA LEU 63 HA LEU 63 17.480 12.838 -3.238 523 HB2 LEU 63 2HB LEU 63 17.972 14.000 -5.447 524 HB3 LEU 63 3HB LEU 63 16.835 15.241 -4.924 525 HG LEU 63 HG LEU 63 18.374 15.393 -2.830 526 HD11 LEU 63 1HD1 LEU 63 20.683 14.819 -4.465 527 HD12 LEU 63 2HD1 LEU 63 19.701 13.378 -4.209 528 HD13 LEU 63 3HD1 LEU 63 20.302 14.291 -2.826 529 HD21 LEU 63 3HD2 LEU 63 19.356 16.418 -5.490 530 HD22 LEU 63 1HD2 LEU 63 19.663 17.115 -3.899 531 HD23 LEU 63 2HD2 LEU 63 18.032 17.132 -4.568 532 H VAL 64 H VAL 64 17.340 14.242 -1.439 533 HA VAL 64 HA VAL 64 14.692 15.448 -0.991 534 HB VAL 64 HB VAL 64 16.257 13.958 1.117 535 HG11 VAL 64 1HG1 VAL 64 14.085 14.113 2.348 536 HG12 VAL 64 2HG1 VAL 64 14.891 15.661 2.087 537 HG13 VAL 64 3HG1 VAL 64 13.514 15.203 1.086 538 HG21 VAL 64 3HG2 VAL 64 15.409 12.444 -0.642 539 HG22 VAL 64 1HG2 VAL 64 14.631 12.180 0.919 540 HG23 VAL 64 2HG2 VAL 64 13.781 13.057 -0.353 541 H ASP 65 H ASP 65 14.660 17.381 0.068 542 HA ASP 65 HA ASP 65 17.283 18.590 0.617 543 HB2 ASP 65 2HB ASP 65 15.767 20.743 0.565 544 HB3 ASP 65 3HB ASP 65 16.301 19.988 -0.934 545 H THR 66 H THR 66 17.826 19.169 2.622 546 HA THR 66 HA THR 66 16.336 18.381 4.857 547 HB THR 66 HB THR 66 17.988 20.304 5.889 548 HG1 THR 66 HG1 THR 66 19.634 20.656 4.572 549 HG21 THR 66 3HG2 THR 66 19.211 17.693 5.145 550 HG22 THR 66 1HG2 THR 66 17.765 17.679 6.153 551 HG23 THR 66 2HG2 THR 66 19.208 18.537 6.693 552 H SER 67 H SER 67 16.098 21.175 2.902 553 HA SER 67 HA SER 67 15.109 23.027 4.788 554 HB2 SER 67 2HB SER 67 15.666 23.032 2.043 555 HB3 SER 67 3HB SER 67 13.942 23.385 2.159 556 HG SER 67 HG SER 67 15.579 25.188 2.329 557 H THR 68 H THR 68 13.751 20.209 3.487 558 HA THR 68 HA THR 68 11.016 21.093 4.105 559 HB THR 68 HB THR 68 10.279 19.047 2.907 560 HG1 THR 68 HG1 THR 68 12.986 18.789 2.075 561 HG21 THR 68 3HG2 THR 68 10.737 19.850 0.681 562 HG22 THR 68 1HG2 THR 68 12.147 20.743 1.249 563 HG23 THR 68 2HG2 THR 68 10.530 21.237 1.750 564 H ASN 69 H ASN 69 13.571 19.044 5.158 565 HA ASN 69 HA ASN 69 11.831 18.007 7.288 566 HB2 ASN 69 2HB ASN 69 13.036 15.853 7.202 567 HB3 ASN 69 3HB ASN 69 12.183 16.190 5.698 568 HD21 ASN 69 2HD2 ASN 69 15.991 15.278 5.549 569 HD22 ASN 69 1HD2 ASN 69 14.894 14.912 6.833 570 HA PRO 70 HA PRO 70 15.687 20.108 8.896 571 HB2 PRO 70 2HB PRO 70 14.382 21.783 10.587 572 HB3 PRO 70 3HB PRO 70 14.708 22.186 8.897 573 HG2 PRO 70 2HG PRO 70 12.193 21.146 10.145 574 HG3 PRO 70 3HG PRO 70 12.395 22.423 8.931 575 HD2 PRO 70 2HD PRO 70 11.639 19.904 8.285 576 HD3 PRO 70 3HD PRO 70 12.614 20.916 7.200 577 H GLU 71 H GLU 71 12.719 19.217 10.652 578 HA GLU 71 HA GLU 71 14.018 18.706 13.118 579 HB2 GLU 71 2HB GLU 71 11.342 17.865 12.013 580 HB3 GLU 71 3HB GLU 71 11.875 17.433 13.631 581 HG2 GLU 71 2HG GLU 71 11.422 19.455 14.444 582 HG3 GLU 71 3HG GLU 71 12.147 20.274 13.061 583 H ALA 72 H ALA 72 13.347 16.759 10.293 584 HA ALA 72 HA ALA 72 13.643 14.196 11.269 585 HB1 ALA 72 1HB ALA 72 14.364 15.430 8.634 586 HB2 ALA 72 2HB ALA 72 14.653 13.719 8.955 587 HB3 ALA 72 3HB ALA 72 13.014 14.366 9.032 588 H ARG 73 H ARG 73 16.072 16.644 10.759 589 HA ARG 73 HA ARG 73 18.328 14.907 10.891 590 HB2 ARG 73 2HB ARG 73 17.954 17.879 11.151 591 HB3 ARG 73 3HB ARG 73 19.517 17.134 11.458 592 HG2 ARG 73 2HG ARG 73 18.182 16.407 8.926 593 HG3 ARG 73 3HG ARG 73 18.783 18.060 9.068 594 HD2 ARG 73 2HD ARG 73 20.851 16.534 10.070 595 HD3 ARG 73 3HD ARG 73 20.238 15.563 8.733 596 HE ARG 73 HE ARG 73 21.164 17.070 7.300 597 HH11 ARG 73 1HH1 ARG 73 20.709 18.617 10.385 598 HH12 ARG 73 2HH1 ARG 73 21.489 20.088 9.910 599 HH21 ARG 73 2HH2 ARG 73 22.333 20.307 7.791 600 HH22 ARG 73 1HH2 ARG 73 22.194 19.002 6.662 601 H GLU 74 H GLU 74 17.205 17.358 13.233 602 HA GLU 74 HA GLU 74 18.786 16.485 15.360 603 HB2 GLU 74 2HB GLU 74 17.290 18.631 15.037 604 HB3 GLU 74 3HB GLU 74 16.090 17.665 15.883 605 HG2 GLU 74 2HG GLU 74 16.996 18.291 17.795 606 HG3 GLU 74 3HG GLU 74 18.458 17.409 17.356 607 H TRP 75 H TRP 75 15.894 15.172 14.042 608 HA TRP 75 HA TRP 75 14.719 13.887 16.179 609 HB2 TRP 75 2HB TRP 75 14.085 13.943 13.642 610 HB3 TRP 75 3HB TRP 75 15.023 12.454 13.561 611 HD1 TRP 75 HD1 TRP 75 11.843 13.887 15.185 612 HE1 TRP 75 HE1 TRP 75 10.309 11.923 15.832 613 HE3 TRP 75 HE3 TRP 75 14.987 10.007 14.091 614 HZ2 TRP 75 HZ2 TRP 75 10.419 9.103 15.873 615 HZ3 TRP 75 HZ3 TRP 75 14.197 7.707 14.463 616 HH2 TRP 75 HH2 TRP 75 11.959 7.266 15.336 617 H TYR 76 H TYR 76 17.402 12.729 14.157 618 HA TYR 76 HA TYR 76 18.081 10.838 16.309 619 HB2 TYR 76 2HB TYR 76 17.061 9.742 14.265 620 HB3 TYR 76 3HB TYR 76 18.482 10.270 13.370 621 HD1 TYR 76 HD1 TYR 76 19.841 8.462 12.920 622 HD2 TYR 76 HD2 TYR 76 18.021 8.747 16.755 623 HE1 TYR 76 HE1 TYR 76 21.045 6.440 13.635 624 HE2 TYR 76 HE2 TYR 76 19.221 6.727 17.481 625 HH TYR 76 HH TYR 76 20.285 4.576 15.965 626 H ASN 77 H ASN 77 19.020 13.592 15.349 627 HA ASN 77 HA ASN 77 20.971 14.744 15.115 628 HB2 ASN 77 2HB ASN 77 21.460 13.911 17.306 629 HB3 ASN 77 3HB ASN 77 21.923 12.336 16.669 630 HD21 ASN 77 2HD2 ASN 77 25.233 13.287 16.737 631 HD22 ASN 77 1HD2 ASN 77 24.003 12.141 17.135 632 H ILE 78 H ILE 78 21.209 14.719 12.893 633 HA ILE 78 HA ILE 78 22.842 12.561 11.748 634 HB ILE 78 HB ILE 78 20.857 14.461 10.573 635 HG12 ILE 78 2HG1 ILE 78 21.410 11.525 10.094 636 HG13 ILE 78 3HG1 ILE 78 20.240 12.145 11.253 637 HG21 ILE 78 1HG2 ILE 78 23.181 13.224 9.124 638 HG22 ILE 78 2HG2 ILE 78 21.702 13.717 8.300 639 HG23 ILE 78 3HG2 ILE 78 22.679 14.914 9.150 640 HD11 ILE 78 3HD1 ILE 78 18.873 11.711 9.491 641 HD12 ILE 78 1HD1 ILE 78 19.305 13.381 9.128 642 HD13 ILE 78 2HD1 ILE 78 20.119 12.058 8.293 643 H THR 79 H THR 79 24.936 12.963 11.571 644 HA THR 79 HA THR 79 25.855 15.741 11.368 645 HB THR 79 HB THR 79 28.140 14.678 11.808 646 HG1 THR 79 HG1 THR 79 27.721 12.588 13.038 647 HG21 THR 79 3HG2 THR 79 25.879 14.983 13.692 648 HG22 THR 79 1HG2 THR 79 27.457 15.770 13.678 649 HG23 THR 79 2HG2 THR 79 27.297 14.126 14.297 650 H SER 80 H SER 80 26.054 12.612 9.759 651 HA SER 80 HA SER 80 27.710 13.718 7.633 652 HB2 SER 80 2HB SER 80 27.283 11.252 6.751 653 HB3 SER 80 3HB SER 80 28.450 11.571 8.034 654 HG SER 80 HG SER 80 25.845 10.512 8.229 655 H VAL 81 H VAL 81 25.985 15.251 7.028 656 HA VAL 81 HA VAL 81 23.472 14.810 6.169 657 HB VAL 81 HB VAL 81 24.798 16.308 4.094 658 HG11 VAL 81 1HG1 VAL 81 23.335 18.047 4.803 659 HG12 VAL 81 2HG1 VAL 81 22.451 16.527 4.958 660 HG13 VAL 81 3HG1 VAL 81 23.125 17.307 6.390 661 HG21 VAL 81 3HG2 VAL 81 26.633 16.464 5.713 662 HG22 VAL 81 1HG2 VAL 81 25.848 18.024 5.467 663 HG23 VAL 81 2HG2 VAL 81 25.510 17.087 6.922 664 HA PRO 82 HA PRO 82 24.905 13.198 1.844 665 HB2 PRO 82 2HB PRO 82 27.536 12.598 1.549 666 HB3 PRO 82 3HB PRO 82 26.873 14.202 1.212 667 HG2 PRO 82 2HG PRO 82 28.309 13.220 3.648 668 HG3 PRO 82 3HG PRO 82 28.495 14.756 2.783 669 HD2 PRO 82 2HD PRO 82 27.056 14.535 5.066 670 HD3 PRO 82 3HD PRO 82 26.639 15.689 3.782 671 H THR 83 H THR 83 23.745 11.402 2.655 672 HA THR 83 HA THR 83 25.427 9.048 3.124 673 HB THR 83 HB THR 83 23.022 9.774 4.807 674 HG1 THR 83 HG1 THR 83 25.811 9.602 5.331 675 HG21 THR 83 3HG2 THR 83 23.762 7.661 6.059 676 HG22 THR 83 1HG2 THR 83 24.644 7.253 4.588 677 HG23 THR 83 2HG2 THR 83 22.891 7.445 4.541 678 H PHE 84 H PHE 84 24.596 7.120 2.347 679 HA PHE 84 HA PHE 84 22.184 7.387 0.678 680 HB2 PHE 84 2HB PHE 84 24.794 6.037 0.260 681 HB3 PHE 84 3HB PHE 84 23.369 5.209 -0.361 682 HD1 PHE 84 HD1 PHE 84 23.237 5.488 -2.633 683 HD2 PHE 84 HD2 PHE 84 24.357 8.804 -0.210 684 HE1 PHE 84 HE1 PHE 84 23.269 6.929 -4.626 685 HE2 PHE 84 HE2 PHE 84 24.391 10.251 -2.200 686 HZ PHE 84 HZ PHE 84 23.845 9.314 -4.412 687 H VAL 85 H VAL 85 20.502 6.536 1.723 688 HA VAL 85 HA VAL 85 20.887 4.021 3.205 689 HB VAL 85 HB VAL 85 18.579 5.952 3.453 690 HG11 VAL 85 1HG1 VAL 85 17.841 4.676 5.255 691 HG12 VAL 85 2HG1 VAL 85 18.350 3.463 4.079 692 HG13 VAL 85 3HG1 VAL 85 19.395 3.864 5.442 693 HG21 VAL 85 3HG2 VAL 85 20.937 5.633 5.306 694 HG22 VAL 85 1HG2 VAL 85 20.741 6.950 4.150 695 HG23 VAL 85 2HG2 VAL 85 19.596 6.765 5.479 696 H ILE 86 H ILE 86 19.865 2.217 2.575 697 HA ILE 86 HA ILE 86 18.022 2.430 0.291 698 HB ILE 86 HB ILE 86 19.259 -0.169 1.074 699 HG12 ILE 86 2HG1 ILE 86 20.678 1.995 -0.495 700 HG13 ILE 86 3HG1 ILE 86 21.138 1.412 1.101 701 HG21 ILE 86 1HG2 ILE 86 17.618 -0.167 -0.688 702 HG22 ILE 86 2HG2 ILE 86 18.487 1.103 -1.547 703 HG23 ILE 86 3HG2 ILE 86 19.206 -0.498 -1.380 704 HD11 ILE 86 3HD1 ILE 86 21.498 0.162 -1.557 705 HD12 ILE 86 1HD1 ILE 86 22.582 0.214 -0.168 706 HD13 ILE 86 2HD1 ILE 86 21.216 -0.901 -0.179 707 H GLU 87 H GLU 87 15.952 1.954 0.595 708 HA GLU 87 HA GLU 87 15.206 0.450 3.014 709 HB2 GLU 87 2HB GLU 87 13.031 1.581 2.876 710 HB3 GLU 87 3HB GLU 87 14.352 2.735 2.997 711 HG2 GLU 87 2HG GLU 87 13.020 3.681 1.380 712 HG3 GLU 87 3HG GLU 87 14.209 2.806 0.417 713 H LYS 88 H LYS 88 13.655 -1.178 2.886 714 HA LYS 88 HA LYS 88 12.322 -1.873 0.471 715 HB2 LYS 88 2HB LYS 88 14.519 -2.621 -0.222 716 HB3 LYS 88 3HB LYS 88 14.722 -3.526 1.272 717 HG2 LYS 88 2HG LYS 88 12.344 -4.457 0.104 718 HG3 LYS 88 3HG LYS 88 13.533 -4.346 -1.195 719 HD2 LYS 88 2HD LYS 88 14.816 -5.998 -0.338 720 HD3 LYS 88 3HD LYS 88 14.505 -5.516 1.331 721 HE2 LYS 88 2HE LYS 88 12.151 -6.441 0.972 722 HE3 LYS 88 3HE LYS 88 12.798 -7.195 -0.485 723 HZ1 LYS 88 3HZ LYS 88 13.871 -7.607 2.253 724 HZ2 LYS 88 1HZ LYS 88 14.389 -8.387 0.844 725 HZ3 LYS 88 2HZ LYS 88 12.837 -8.678 1.450 726 H GLY 89 H GLY 89 10.633 -1.801 2.064 727 HA2 GLY 89 2HA GLY 89 9.192 -3.701 2.849 728 HA3 GLY 89 3HA GLY 89 10.581 -4.184 3.811 729 H GLY 90 H GLY 90 10.545 -0.883 3.771 730 HA2 GLY 90 2HA GLY 90 9.373 0.700 5.099 731 HA3 GLY 90 3HA GLY 90 8.667 -0.628 6.009 732 H GLU 91 H GLU 91 12.058 -0.697 5.345 733 HA GLU 91 HA GLU 91 12.867 0.645 7.746 734 HB2 GLU 91 2HB GLU 91 13.945 -1.515 8.658 735 HB3 GLU 91 3HB GLU 91 12.230 -1.253 8.943 736 HG2 GLU 91 2HG GLU 91 11.591 -2.916 7.513 737 HG3 GLU 91 3HG GLU 91 13.048 -2.783 6.531 738 HA PRO 92 HA PRO 92 16.673 0.923 5.583 739 HB2 PRO 92 2HB PRO 92 18.465 1.017 7.620 740 HB3 PRO 92 3HB PRO 92 17.381 2.358 7.231 741 HG2 PRO 92 2HG PRO 92 17.116 0.262 9.352 742 HG3 PRO 92 3HG PRO 92 16.807 2.005 9.457 743 HD2 PRO 92 2HD PRO 92 14.821 0.188 9.164 744 HD3 PRO 92 3HD PRO 92 14.728 1.823 8.477 745 H LEU 93 H LEU 93 17.786 -0.566 4.496 746 HA LEU 93 HA LEU 93 18.648 -2.999 5.915 747 HB2 LEU 93 2HB LEU 93 16.734 -3.038 4.071 748 HB3 LEU 93 3HB LEU 93 18.128 -3.095 2.994 749 HG LEU 93 HG LEU 93 17.336 -5.328 3.375 750 HD11 LEU 93 1HD1 LEU 93 19.864 -4.688 3.456 751 HD12 LEU 93 2HD1 LEU 93 19.351 -6.330 3.842 752 HD13 LEU 93 3HD1 LEU 93 19.738 -5.200 5.139 753 HD21 LEU 93 3HD2 LEU 93 16.587 -4.431 5.855 754 HD22 LEU 93 1HD2 LEU 93 17.957 -5.480 6.222 755 HD23 LEU 93 2HD2 LEU 93 16.576 -6.114 5.325 756 H GLY 94 H GLY 94 19.338 -0.630 3.409 757 HA2 GLY 94 2HA GLY 94 22.051 -1.727 3.118 758 HA3 GLY 94 3HA GLY 94 21.280 -0.602 2.010 759 H GLU 95 H GLU 95 23.794 -0.045 2.782 760 HA GLU 95 HA GLU 95 23.511 2.511 3.998 761 HB2 GLU 95 2HB GLU 95 23.468 1.368 6.082 762 HB3 GLU 95 3HB GLU 95 24.774 0.293 5.601 763 HG2 GLU 95 2HG GLU 95 25.325 2.153 7.241 764 HG3 GLU 95 3HG GLU 95 26.394 1.948 5.854 765 H VAL 96 H VAL 96 24.909 3.750 2.952 766 HA VAL 96 HA VAL 96 27.618 2.798 2.447 767 HB VAL 96 HB VAL 96 25.832 3.809 0.229 768 HG11 VAL 96 1HG1 VAL 96 28.747 3.036 0.197 769 HG12 VAL 96 2HG1 VAL 96 27.777 3.429 -1.224 770 HG13 VAL 96 3HG1 VAL 96 28.094 4.662 -0.003 771 HG21 VAL 96 3HG2 VAL 96 25.336 1.512 0.710 772 HG22 VAL 96 1HG2 VAL 96 26.299 1.572 -0.767 773 HG23 VAL 96 2HG2 VAL 96 27.051 1.102 0.757 774 H LYS 97 H LYS 97 29.136 4.430 2.245 775 HA LYS 97 HA LYS 97 28.334 7.194 2.064 776 HB2 LYS 97 2HB LYS 97 28.978 7.925 4.196 777 HB3 LYS 97 3HB LYS 97 28.046 6.467 4.510 778 HG2 LYS 97 2HG LYS 97 30.472 5.374 4.359 779 HG3 LYS 97 3HG LYS 97 30.931 6.997 4.881 780 HD2 LYS 97 2HD LYS 97 28.939 5.194 6.258 781 HD3 LYS 97 3HD LYS 97 30.594 5.500 6.790 782 HE2 LYS 97 2HE LYS 97 29.760 7.174 8.003 783 HE3 LYS 97 3HE LYS 97 29.523 8.030 6.480 784 HZ1 LYS 97 3HZ LYS 97 27.460 6.151 7.394 785 HZ2 LYS 97 1HZ LYS 97 27.302 7.543 6.445 786 HZ3 LYS 97 2HZ LYS 97 27.548 7.681 8.112 787 H GLY 98 H GLY 98 29.931 8.440 1.236 788 HA2 GLY 98 2HA GLY 98 32.315 8.994 1.153 789 HA3 GLY 98 3HA GLY 98 32.640 7.267 1.143 790 HA PRO 99 HA PRO 99 32.452 9.080 -3.225 791 HB2 PRO 99 2HB PRO 99 35.081 8.787 -3.834 792 HB3 PRO 99 3HB PRO 99 34.423 10.254 -3.099 793 HG2 PRO 99 2HG PRO 99 35.855 7.965 -1.805 794 HG3 PRO 99 3HG PRO 99 36.046 9.706 -1.527 795 HD2 PRO 99 2HD PRO 99 34.606 8.116 0.125 796 HD3 PRO 99 3HD PRO 99 34.193 9.819 -0.160 797 H ASP 100 H ASP 100 31.276 6.957 -3.236 798 HA ASP 100 HA ASP 100 32.876 4.986 -4.702 799 HB2 ASP 100 2HB ASP 100 31.935 3.131 -3.492 800 HB3 ASP 100 3HB ASP 100 32.634 4.248 -2.322 801 H ILE 101 H ILE 101 31.265 6.868 -5.881 802 HA ILE 101 HA ILE 101 28.597 6.131 -6.306 803 HB ILE 101 HB ILE 101 30.551 7.697 -7.965 804 HG12 ILE 101 2HG1 ILE 101 29.615 8.711 -5.908 805 HG13 ILE 101 3HG1 ILE 101 29.118 9.571 -7.361 806 HG21 ILE 101 1HG2 ILE 101 28.294 8.315 -9.205 807 HG22 ILE 101 2HG2 ILE 101 29.308 6.971 -9.730 808 HG23 ILE 101 3HG2 ILE 101 27.879 6.664 -8.742 809 HD11 ILE 101 3HD1 ILE 101 27.475 7.673 -5.710 810 HD12 ILE 101 1HD1 ILE 101 27.241 9.409 -5.914 811 HD13 ILE 101 2HD1 ILE 101 26.968 8.316 -7.272 812 H ASP 102 H ASP 102 31.571 4.964 -7.718 813 HA ASP 102 HA ASP 102 30.297 3.544 -9.865 814 HB2 ASP 102 2HB ASP 102 33.094 3.515 -8.736 815 HB3 ASP 102 3HB ASP 102 32.596 2.450 -10.048 816 H LYS 103 H LYS 103 31.639 2.688 -6.702 817 HA LYS 103 HA LYS 103 31.095 -0.103 -6.971 818 HB2 LYS 103 2HB LYS 103 32.813 1.029 -5.435 819 HB3 LYS 103 3HB LYS 103 31.459 1.357 -4.362 820 HG2 LYS 103 2HG LYS 103 31.138 -0.881 -3.869 821 HG3 LYS 103 3HG LYS 103 31.985 -1.425 -5.319 822 HD2 LYS 103 2HD LYS 103 33.830 0.089 -3.817 823 HD3 LYS 103 3HD LYS 103 33.013 -0.989 -2.683 824 HE2 LYS 103 2HE LYS 103 33.703 -2.905 -3.827 825 HE3 LYS 103 3HE LYS 103 34.078 -2.005 -5.295 826 HZ1 LYS 103 3HZ LYS 103 35.834 -2.732 -3.298 827 HZ2 LYS 103 1HZ LYS 103 35.631 -1.061 -3.120 828 HZ3 LYS 103 2HZ LYS 103 36.145 -1.698 -4.600 829 H LEU 104 H LEU 104 29.205 2.625 -6.178 830 HA LEU 104 HA LEU 104 27.321 1.559 -4.417 831 HB2 LEU 104 2HB LEU 104 27.475 3.934 -4.963 832 HB3 LEU 104 3HB LEU 104 26.920 3.598 -6.601 833 HG LEU 104 HG LEU 104 24.915 2.565 -4.988 834 HD11 LEU 104 1HD1 LEU 104 26.205 3.961 -3.189 835 HD12 LEU 104 2HD1 LEU 104 24.444 4.003 -3.266 836 HD13 LEU 104 3HD1 LEU 104 25.389 5.321 -3.960 837 HD21 LEU 104 3HD2 LEU 104 24.630 5.349 -5.931 838 HD22 LEU 104 1HD2 LEU 104 23.607 3.941 -6.214 839 HD23 LEU 104 2HD2 LEU 104 25.092 4.152 -7.142 840 H ARG 105 H ARG 105 27.872 0.910 -7.740 841 HA ARG 105 HA ARG 105 25.233 -0.024 -8.357 842 HB2 ARG 105 2HB ARG 105 26.117 -0.680 -10.458 843 HB3 ARG 105 3HB ARG 105 26.932 0.819 -10.032 844 HG2 ARG 105 2HG ARG 105 28.777 -0.716 -9.088 845 HG3 ARG 105 3HG ARG 105 28.011 -1.968 -10.068 846 HD2 ARG 105 2HD ARG 105 28.237 -0.465 -12.041 847 HD3 ARG 105 3HD ARG 105 29.147 0.655 -11.028 848 HE ARG 105 HE ARG 105 30.450 -1.729 -10.759 849 HH11 ARG 105 1HH1 ARG 105 29.538 0.295 -13.441 850 HH12 ARG 105 2HH1 ARG 105 30.883 -0.180 -14.425 851 HH21 ARG 105 2HH2 ARG 105 32.409 -1.692 -13.631 852 HH22 ARG 105 1HH2 ARG 105 32.224 -2.362 -12.045 853 H GLU 106 H GLU 106 27.605 -1.232 -6.400 854 HA GLU 106 HA GLU 106 26.909 -4.033 -6.957 855 HB2 GLU 106 2HB GLU 106 28.943 -4.686 -6.079 856 HB3 GLU 106 3HB GLU 106 29.362 -3.139 -6.802 857 HG2 GLU 106 2HG GLU 106 30.314 -2.760 -4.811 858 HG3 GLU 106 3HG GLU 106 28.674 -2.331 -4.331 859 H THR 107 H THR 107 26.536 -1.476 -4.696 860 HA THR 107 HA THR 107 25.865 -3.167 -2.456 861 HB THR 107 HB THR 107 25.092 -0.286 -2.513 862 HG1 THR 107 HG1 THR 107 27.103 0.398 -2.647 863 HG21 THR 107 3HG2 THR 107 25.443 -2.335 -0.573 864 HG22 THR 107 1HG2 THR 107 24.916 -0.670 -0.327 865 HG23 THR 107 2HG2 THR 107 26.632 -1.072 -0.256 866 H LEU 108 H LEU 108 24.139 -1.240 -4.857 867 HA LEU 108 HA LEU 108 21.562 -1.869 -3.696 868 HB2 LEU 108 2HB LEU 108 20.702 -0.269 -5.046 869 HB3 LEU 108 3HB LEU 108 22.382 0.265 -5.041 870 HG LEU 108 HG LEU 108 22.484 -1.286 -7.195 871 HD11 LEU 108 1HD1 LEU 108 20.337 -2.135 -7.348 872 HD12 LEU 108 2HD1 LEU 108 20.283 -0.756 -8.446 873 HD13 LEU 108 3HD1 LEU 108 19.591 -0.623 -6.830 874 HD21 LEU 108 3HD2 LEU 108 23.052 0.729 -7.933 875 HD22 LEU 108 1HD2 LEU 108 22.104 1.516 -6.671 876 HD23 LEU 108 2HD2 LEU 108 21.340 1.063 -8.194 877 H ASP 109 H ASP 109 23.668 -3.121 -6.123 878 HA ASP 109 HA ASP 109 21.702 -4.536 -7.630 879 HB2 ASP 109 2HB ASP 109 23.604 -4.288 -8.888 880 HB3 ASP 109 3HB ASP 109 24.675 -4.479 -7.502 881 H GLU 110 H GLU 110 24.091 -5.569 -5.195 882 HA GLU 110 HA GLU 110 23.343 -8.251 -5.069 883 HB2 GLU 110 2HB GLU 110 24.457 -6.487 -2.881 884 HB3 GLU 110 3HB GLU 110 24.386 -8.242 -2.817 885 HG2 GLU 110 2HG GLU 110 25.780 -6.902 -5.086 886 HG3 GLU 110 3HG GLU 110 26.579 -7.044 -3.522 887 H LEU 111 H LEU 111 21.785 -5.435 -3.828 888 HA LEU 111 HA LEU 111 20.075 -6.977 -2.039 889 HB2 LEU 111 2HB LEU 111 20.678 -4.966 -1.051 890 HB3 LEU 111 3HB LEU 111 20.508 -4.064 -2.556 891 HG LEU 111 HG LEU 111 18.052 -4.284 -2.368 892 HD11 LEU 111 1HD1 LEU 111 17.970 -4.947 0.431 893 HD12 LEU 111 2HD1 LEU 111 18.679 -6.263 -0.504 894 HD13 LEU 111 3HD1 LEU 111 17.078 -5.651 -0.918 895 HD21 LEU 111 3HD2 LEU 111 19.604 -2.451 -1.254 896 HD22 LEU 111 1HD2 LEU 111 18.918 -3.122 0.225 897 HD23 LEU 111 2HD2 LEU 111 17.856 -2.458 -1.016 898 H LEU 112 H LEU 112 20.121 -5.920 -5.251 899 HA LEU 112 HA LEU 112 17.274 -5.632 -5.576 900 HB2 LEU 112 2HB LEU 112 19.290 -4.633 -6.961 901 HB3 LEU 112 3HB LEU 112 19.092 -6.124 -7.880 902 HG LEU 112 HG LEU 112 17.882 -4.454 -9.033 903 HD11 LEU 112 1HD1 LEU 112 15.792 -5.427 -9.191 904 HD12 LEU 112 2HD1 LEU 112 15.689 -5.738 -7.459 905 HD13 LEU 112 3HD1 LEU 112 16.752 -6.718 -8.469 906 HD21 LEU 112 3HD2 LEU 112 17.793 -2.825 -7.185 907 HD22 LEU 112 1HD2 LEU 112 16.507 -3.772 -6.436 908 HD23 LEU 112 2HD2 LEU 112 16.240 -3.006 -8.002 909 H ALA 113 H ALA 113 19.680 -7.980 -6.771 910 HA ALA 113 HA ALA 113 17.815 -9.800 -7.822 911 HB1 ALA 113 1HB ALA 113 20.138 -9.858 -8.483 912 HB2 ALA 113 2HB ALA 113 20.626 -10.278 -6.841 913 HB3 ALA 113 3HB ALA 113 19.678 -11.417 -7.797 914 H ARG 114 H ARG 114 18.987 -9.280 -4.590 915 HA ARG 114 HA ARG 114 18.297 -11.783 -3.481 916 HB2 ARG 114 2HB ARG 114 19.792 -10.226 -2.338 917 HB3 ARG 114 3HB ARG 114 18.481 -9.065 -2.170 918 HG2 ARG 114 2HG ARG 114 17.267 -10.859 -0.843 919 HG3 ARG 114 3HG ARG 114 18.812 -11.711 -0.798 920 HD2 ARG 114 2HD ARG 114 19.495 -9.152 -0.062 921 HD3 ARG 114 3HD ARG 114 17.915 -9.369 0.691 922 HE ARG 114 HE ARG 114 19.204 -11.630 1.376 923 HH11 ARG 114 1HH1 ARG 114 20.078 -8.267 1.581 924 HH12 ARG 114 2HH1 ARG 114 21.071 -8.476 2.985 925 HH21 ARG 114 2HH2 ARG 114 21.316 -10.554 3.918 926 HH22 ARG 114 1HH2 ARG 114 20.509 -11.918 3.224 927 H LEU 115 H LEU 115 16.542 -8.690 -3.586 928 HA LEU 115 HA LEU 115 14.275 -9.409 -2.184 929 HB2 LEU 115 2HB LEU 115 14.553 -7.148 -2.796 930 HB3 LEU 115 3HB LEU 115 14.669 -7.548 -4.508 931 HG LEU 115 HG LEU 115 12.112 -8.171 -3.137 932 HD11 LEU 115 1HD1 LEU 115 12.660 -5.369 -4.051 933 HD12 LEU 115 2HD1 LEU 115 12.916 -5.860 -2.377 934 HD13 LEU 115 3HD1 LEU 115 11.310 -5.982 -3.096 935 HD21 LEU 115 3HD2 LEU 115 11.277 -8.120 -5.229 936 HD22 LEU 115 1HD2 LEU 115 12.965 -8.334 -5.691 937 HD23 LEU 115 2HD2 LEU 115 12.247 -6.723 -5.699 938 H GLU 116 H GLU 116 15.106 -10.059 -5.542 939 HA GLU 116 HA GLU 116 12.661 -11.688 -5.770 940 HB2 GLU 116 2HB GLU 116 13.924 -9.786 -7.597 941 HB3 GLU 116 3HB GLU 116 13.572 -11.336 -8.350 942 HG2 GLU 116 2HG GLU 116 11.347 -10.394 -6.765 943 HG3 GLU 116 3HG GLU 116 11.823 -9.221 -7.992 Start of MODEL 12 1 H1 MET 1 H MET 1 2.467 4.945 -4.384 2 HA MET 1 HA MET 1 4.345 2.964 -3.851 3 HB2 MET 1 2HB MET 1 3.082 2.585 -1.750 4 HB3 MET 1 3HB MET 1 3.386 4.287 -2.071 5 HG2 MET 1 2HG MET 1 1.228 4.725 -1.931 6 HG3 MET 1 3HG MET 1 0.891 3.588 -3.235 7 HE1 MET 1 3HE MET 1 -1.692 2.337 -1.894 8 HE2 MET 1 1HE MET 1 -1.651 3.196 -0.354 9 HE3 MET 1 2HE MET 1 -1.218 4.035 -1.843 10 H ALA 2 H ALA 2 3.403 1.942 -6.090 11 HA ALA 2 HA ALA 2 2.660 -0.682 -5.419 12 HB1 ALA 2 1HB ALA 2 0.458 1.142 -5.693 13 HB2 ALA 2 2HB ALA 2 0.386 -0.098 -6.946 14 HB3 ALA 2 3HB ALA 2 0.450 -0.564 -5.246 15 H ARG 3 H ARG 3 1.640 -1.745 -7.606 16 HA ARG 3 HA ARG 3 2.082 -2.388 -9.743 17 HB2 ARG 3 2HB ARG 3 1.332 0.048 -10.107 18 HB3 ARG 3 3HB ARG 3 3.041 0.406 -10.314 19 HG2 ARG 3 2HG ARG 3 2.582 -1.783 -11.962 20 HG3 ARG 3 3HG ARG 3 1.163 -0.754 -12.168 21 HD2 ARG 3 2HD ARG 3 3.852 0.518 -12.197 22 HD3 ARG 3 3HD ARG 3 3.352 -0.411 -13.610 23 HE ARG 3 HE ARG 3 1.255 1.286 -13.013 24 HH11 ARG 3 1HH1 ARG 3 4.607 1.578 -13.910 25 HH12 ARG 3 2HH1 ARG 3 4.393 3.096 -14.718 26 HH21 ARG 3 2HH2 ARG 3 2.320 4.066 -14.809 27 HH22 ARG 3 1HH2 ARG 3 0.962 3.284 -14.073 28 HA PRO 4 HA PRO 4 6.594 -2.647 -8.612 29 HB2 PRO 4 2HB PRO 4 6.639 -5.354 -8.410 30 HB3 PRO 4 3HB PRO 4 6.210 -4.297 -7.060 31 HG2 PRO 4 2HG PRO 4 4.421 -5.813 -8.920 32 HG3 PRO 4 3HG PRO 4 4.300 -5.619 -7.161 33 HD2 PRO 4 2HD PRO 4 2.801 -4.175 -8.893 34 HD3 PRO 4 3HD PRO 4 3.345 -3.528 -7.332 35 H SER 5 H SER 5 6.683 -1.911 -10.898 36 HA SER 5 HA SER 5 8.070 -3.739 -12.511 37 HB2 SER 5 2HB SER 5 5.214 -3.880 -12.775 38 HB3 SER 5 3HB SER 5 5.905 -3.260 -14.274 39 HG SER 5 HG SER 5 7.196 -5.081 -14.402 40 H ASN 6 H ASN 6 9.484 -2.429 -13.439 41 HA ASN 6 HA ASN 6 8.810 -0.383 -15.227 42 HB2 ASN 6 2HB ASN 6 8.737 0.430 -12.489 43 HB3 ASN 6 3HB ASN 6 10.117 1.207 -13.260 44 HD21 ASN 6 2HD2 ASN 6 6.707 2.954 -13.670 45 HD22 ASN 6 1HD2 ASN 6 7.299 2.022 -12.341 46 H VAL 7 H VAL 7 10.470 -0.293 -16.582 47 HA VAL 7 HA VAL 7 13.105 -1.174 -15.648 48 HB VAL 7 HB VAL 7 12.079 -0.820 -18.469 49 HG11 VAL 7 1HG1 VAL 7 14.407 -0.514 -18.563 50 HG12 VAL 7 2HG1 VAL 7 14.706 -1.778 -17.369 51 HG13 VAL 7 3HG1 VAL 7 14.151 -2.206 -18.988 52 HG21 VAL 7 3HG2 VAL 7 12.317 -3.201 -16.661 53 HG22 VAL 7 1HG2 VAL 7 10.936 -2.667 -17.619 54 HG23 VAL 7 2HG2 VAL 7 12.340 -3.379 -18.415 55 H LYS 8 H LYS 8 11.644 1.385 -17.647 56 HA LYS 8 HA LYS 8 14.010 2.910 -17.907 57 HB2 LYS 8 2HB LYS 8 11.116 3.343 -18.424 58 HB3 LYS 8 3HB LYS 8 12.121 4.778 -18.269 59 HG2 LYS 8 2HG LYS 8 12.404 4.489 -20.477 60 HG3 LYS 8 3HG LYS 8 13.631 3.331 -19.961 61 HD2 LYS 8 2HD LYS 8 12.434 1.564 -20.673 62 HD3 LYS 8 3HD LYS 8 10.909 2.244 -20.102 63 HE2 LYS 8 2HE LYS 8 10.961 3.792 -22.064 64 HE3 LYS 8 3HE LYS 8 12.365 2.906 -22.657 65 HZ1 LYS 8 3HZ LYS 8 10.852 1.654 -23.692 66 HZ2 LYS 8 1HZ LYS 8 9.577 2.182 -22.713 67 HZ3 LYS 8 2HZ LYS 8 10.590 0.936 -22.183 68 HA PRO 9 HA PRO 9 14.326 5.150 -14.148 69 HB2 PRO 9 2HB PRO 9 15.026 7.631 -14.997 70 HB3 PRO 9 3HB PRO 9 16.125 6.249 -15.061 71 HG2 PRO 9 2HG PRO 9 14.456 7.443 -17.240 72 HG3 PRO 9 3HG PRO 9 16.136 6.879 -17.299 73 HD2 PRO 9 2HD PRO 9 14.069 5.399 -18.231 74 HD3 PRO 9 3HD PRO 9 15.518 4.668 -17.512 75 H SER 10 H SER 10 13.221 6.513 -12.759 76 HA SER 10 HA SER 10 11.259 8.384 -13.711 77 HB2 SER 10 2HB SER 10 9.918 6.408 -13.997 78 HB3 SER 10 3HB SER 10 10.373 5.804 -12.404 79 HG SER 10 HG SER 10 8.455 7.633 -13.109 80 HA PRO 11 HA PRO 11 13.143 9.164 -9.521 81 HB2 PRO 11 2HB PRO 11 14.019 11.665 -10.110 82 HB3 PRO 11 3HB PRO 11 14.974 10.212 -10.430 83 HG2 PRO 11 2HG PRO 11 13.285 11.820 -12.307 84 HG3 PRO 11 3HG PRO 11 14.895 11.125 -12.568 85 HD2 PRO 11 2HD PRO 11 12.637 9.964 -13.509 86 HD3 PRO 11 3HD PRO 11 14.055 9.023 -13.002 87 H HIS 12 H HIS 12 11.734 9.791 -8.022 88 HA HIS 12 HA HIS 12 9.876 11.988 -8.663 89 HB2 HIS 12 2HB HIS 12 8.876 9.646 -8.432 90 HB3 HIS 12 3HB HIS 12 9.272 9.762 -6.720 91 HD1 HIS 12 HD1 HIS 12 7.496 12.054 -9.200 92 HD2 HIS 12 HD2 HIS 12 7.100 10.557 -5.345 93 HE1 HIS 12 HE1 HIS 12 5.360 13.041 -8.312 94 H VAL 13 H VAL 13 10.836 13.693 -7.690 95 HA VAL 13 HA VAL 13 12.111 13.481 -5.122 96 HB VAL 13 HB VAL 13 12.337 15.958 -5.295 97 HG11 VAL 13 1HG1 VAL 13 13.646 15.768 -7.594 98 HG12 VAL 13 2HG1 VAL 13 14.219 14.976 -6.125 99 HG13 VAL 13 3HG1 VAL 13 13.334 14.051 -7.340 100 HG21 VAL 13 3HG2 VAL 13 10.267 15.634 -7.205 101 HG22 VAL 13 1HG2 VAL 13 11.024 17.127 -6.650 102 HG23 VAL 13 2HG2 VAL 13 11.681 16.271 -8.045 103 H ILE 14 H ILE 14 11.287 13.908 -3.163 104 HA ILE 14 HA ILE 14 8.465 14.185 -2.851 105 HB ILE 14 HB ILE 14 8.789 13.911 -0.567 106 HG12 ILE 14 2HG1 ILE 14 10.204 15.813 -0.119 107 HG13 ILE 14 3HG1 ILE 14 10.966 14.383 0.568 108 HG21 ILE 14 1HG2 ILE 14 11.357 12.619 -1.191 109 HG22 ILE 14 2HG2 ILE 14 9.877 11.941 -0.515 110 HG23 ILE 14 3HG2 ILE 14 10.015 12.196 -2.254 111 HD11 ILE 14 3HD1 ILE 14 12.444 14.263 -1.392 112 HD12 ILE 14 1HD1 ILE 14 11.712 15.744 -2.008 113 HD13 ILE 14 2HD1 ILE 14 12.618 15.771 -0.495 114 H LYS 15 H LYS 15 7.753 15.853 -1.042 115 HA LYS 15 HA LYS 15 9.001 18.446 -1.280 116 HB2 LYS 15 2HB LYS 15 7.171 17.831 -3.222 117 HB3 LYS 15 3HB LYS 15 6.159 18.612 -2.013 118 HG2 LYS 15 2HG LYS 15 8.602 20.089 -2.465 119 HG3 LYS 15 3HG LYS 15 7.691 19.853 -3.958 120 HD2 LYS 15 2HD LYS 15 6.434 20.860 -1.415 121 HD3 LYS 15 3HD LYS 15 7.134 21.933 -2.628 122 HE2 LYS 15 2HE LYS 15 5.294 19.940 -3.723 123 HE3 LYS 15 3HE LYS 15 4.540 21.056 -2.585 124 HZ1 LYS 15 3HZ LYS 15 4.407 22.452 -4.293 125 HZ2 LYS 15 1HZ LYS 15 5.441 21.522 -5.257 126 HZ3 LYS 15 2HZ LYS 15 6.083 22.651 -4.173 127 H SER 16 H SER 16 8.115 16.416 0.751 128 HA SER 16 HA SER 16 7.376 18.171 2.796 129 HB2 SER 16 2HB SER 16 5.152 17.179 1.215 130 HB3 SER 16 3HB SER 16 5.012 16.684 2.902 131 HG SER 16 HG SER 16 4.072 18.698 2.672 132 H LEU 17 H LEU 17 6.870 17.033 4.836 133 HA LEU 17 HA LEU 17 8.581 14.850 5.243 134 HB2 LEU 17 2HB LEU 17 7.390 16.624 6.862 135 HB3 LEU 17 3HB LEU 17 6.341 15.234 7.136 136 HG LEU 17 HG LEU 17 8.331 13.918 7.802 137 HD11 LEU 17 1HD1 LEU 17 9.785 15.807 6.516 138 HD12 LEU 17 2HD1 LEU 17 10.438 14.685 7.709 139 HD13 LEU 17 3HD1 LEU 17 9.977 16.317 8.193 140 HD21 LEU 17 3HD2 LEU 17 6.952 14.982 9.494 141 HD22 LEU 17 1HD2 LEU 17 7.875 16.476 9.336 142 HD23 LEU 17 2HD2 LEU 17 8.650 15.024 9.972 143 H GLU 18 H GLU 18 5.015 14.948 5.261 144 HA GLU 18 HA GLU 18 4.521 12.258 5.634 145 HB2 GLU 18 2HB GLU 18 2.925 14.354 5.346 146 HB3 GLU 18 3HB GLU 18 2.811 13.752 3.699 147 HG2 GLU 18 2HG GLU 18 2.306 11.998 6.078 148 HG3 GLU 18 3HG GLU 18 1.042 12.983 5.344 149 H GLU 19 H GLU 19 5.007 13.983 2.565 150 HA GLU 19 HA GLU 19 4.581 11.918 0.789 151 HB2 GLU 19 2HB GLU 19 5.232 14.436 0.423 152 HB3 GLU 19 3HB GLU 19 6.866 13.796 0.330 153 HG2 GLU 19 2HG GLU 19 6.208 13.833 -1.877 154 HG3 GLU 19 3HG GLU 19 5.889 12.164 -1.408 155 H LEU 20 H LEU 20 7.420 12.593 2.748 156 HA LEU 20 HA LEU 20 9.133 10.705 1.505 157 HB2 LEU 20 2HB LEU 20 9.507 12.693 3.277 158 HB3 LEU 20 3HB LEU 20 9.526 11.310 4.369 159 HG LEU 20 HG LEU 20 11.318 10.337 2.830 160 HD11 LEU 20 1HD1 LEU 20 12.216 12.970 2.029 161 HD12 LEU 20 2HD1 LEU 20 10.675 12.543 1.285 162 HD13 LEU 20 3HD1 LEU 20 12.073 11.487 1.084 163 HD21 LEU 20 3HD2 LEU 20 12.045 12.868 4.293 164 HD22 LEU 20 1HD2 LEU 20 13.060 11.453 4.011 165 HD23 LEU 20 2HD2 LEU 20 11.674 11.342 5.096 166 H ARG 21 H ARG 21 7.635 10.564 4.743 167 HA ARG 21 HA ARG 21 8.157 7.891 5.252 168 HB2 ARG 21 2HB ARG 21 6.405 9.953 6.344 169 HB3 ARG 21 3HB ARG 21 5.725 8.338 6.498 170 HG2 ARG 21 2HG ARG 21 7.911 7.638 7.531 171 HG3 ARG 21 3HG ARG 21 8.340 9.349 7.579 172 HD2 ARG 21 2HD ARG 21 6.019 8.004 8.952 173 HD3 ARG 21 3HD ARG 21 7.435 8.729 9.711 174 HE ARG 21 HE ARG 21 6.305 10.773 8.309 175 HH11 ARG 21 1HH1 ARG 21 5.175 8.543 10.731 176 HH12 ARG 21 2HH1 ARG 21 4.019 9.649 11.397 177 HH21 ARG 21 2HH2 ARG 21 3.799 11.750 10.512 178 HH22 ARG 21 1HH2 ARG 21 4.787 12.238 9.177 179 H GLU 22 H GLU 22 5.728 9.331 3.233 180 HA GLU 22 HA GLU 22 4.078 6.987 3.059 181 HB2 GLU 22 2HB GLU 22 3.221 9.303 2.712 182 HB3 GLU 22 3HB GLU 22 4.155 9.387 1.225 183 HG2 GLU 22 2HG GLU 22 2.555 7.022 1.201 184 HG3 GLU 22 3HG GLU 22 1.545 8.415 1.584 185 H ALA 23 H ALA 23 6.786 8.314 1.302 186 HA ALA 23 HA ALA 23 6.510 6.575 -0.966 187 HB1 ALA 23 1HB ALA 23 7.830 8.138 -1.825 188 HB2 ALA 23 2HB ALA 23 8.152 8.808 -0.225 189 HB3 ALA 23 3HB ALA 23 9.154 7.499 -0.850 190 H THR 24 H THR 24 8.027 6.405 2.144 191 HA THR 24 HA THR 24 9.858 4.300 1.503 192 HB THR 24 HB THR 24 9.480 4.122 4.225 193 HG1 THR 24 HG1 THR 24 8.990 6.091 4.999 194 HG21 THR 24 3HG2 THR 24 11.451 5.825 4.240 195 HG22 THR 24 1HG2 THR 24 11.341 5.694 2.485 196 HG23 THR 24 2HG2 THR 24 11.664 4.259 3.459 197 H ALA 25 H ALA 25 6.513 4.456 2.234 198 HA ALA 25 HA ALA 25 6.257 1.793 3.274 199 HB1 ALA 25 1HB ALA 25 4.658 3.535 3.874 200 HB2 ALA 25 2HB ALA 25 4.151 3.660 2.189 201 HB3 ALA 25 3HB ALA 25 3.852 2.175 3.092 202 H SER 26 H SER 26 6.305 3.251 0.133 203 HA SER 26 HA SER 26 4.873 1.460 -1.404 204 HB2 SER 26 2HB SER 26 6.179 2.199 -3.284 205 HB3 SER 26 3HB SER 26 5.975 3.578 -2.204 206 HG SER 26 HG SER 26 8.064 3.686 -2.197 207 H ASN 27 H ASN 27 5.227 -0.526 -2.276 208 HA ASN 27 HA ASN 27 7.288 -2.138 -1.047 209 HB2 ASN 27 2HB ASN 27 6.178 -4.025 -2.127 210 HB3 ASN 27 3HB ASN 27 4.992 -3.007 -1.313 211 HD21 ASN 27 2HD2 ASN 27 3.835 -3.965 -4.732 212 HD22 ASN 27 1HD2 ASN 27 4.442 -4.853 -3.380 213 H ARG 28 H ARG 28 8.701 -0.416 -2.409 214 HA ARG 28 HA ARG 28 9.710 -1.966 -4.682 215 HB2 ARG 28 2HB ARG 28 8.258 0.337 -5.065 216 HB3 ARG 28 3HB ARG 28 9.913 0.932 -5.066 217 HG2 ARG 28 2HG ARG 28 9.410 0.472 -7.307 218 HG3 ARG 28 3HG ARG 28 10.412 -0.877 -6.768 219 HD2 ARG 28 2HD ARG 28 7.640 -1.431 -6.260 220 HD3 ARG 28 3HD ARG 28 7.869 -0.987 -7.951 221 HE ARG 28 HE ARG 28 8.738 -3.393 -6.669 222 HH11 ARG 28 1HH1 ARG 28 9.419 -1.158 -9.250 223 HH12 ARG 28 2HH1 ARG 28 10.252 -2.328 -10.218 224 HH21 ARG 28 2HH2 ARG 28 10.485 -4.481 -9.470 225 HH22 ARG 28 1HH2 ARG 28 9.832 -4.943 -7.935 226 H ILE 29 H ILE 29 11.787 -0.390 -5.451 227 HA ILE 29 HA ILE 29 13.413 -0.186 -3.001 228 HB ILE 29 HB ILE 29 14.475 -0.827 -5.748 229 HG12 ILE 29 2HG1 ILE 29 12.938 -2.606 -5.004 230 HG13 ILE 29 3HG1 ILE 29 14.609 -3.161 -5.035 231 HG21 ILE 29 1HG2 ILE 29 15.660 -0.961 -2.982 232 HG22 ILE 29 2HG2 ILE 29 16.427 -1.635 -4.419 233 HG23 ILE 29 3HG2 ILE 29 16.141 0.101 -4.305 234 HD11 ILE 29 3HD1 ILE 29 12.755 -3.191 -2.886 235 HD12 ILE 29 1HD1 ILE 29 14.402 -3.819 -2.939 236 HD13 ILE 29 2HD1 ILE 29 14.109 -2.150 -2.450 237 H SER 30 H SER 30 13.654 1.905 -2.539 238 HA SER 30 HA SER 30 14.373 3.733 -4.737 239 HB2 SER 30 2HB SER 30 13.262 5.000 -2.335 240 HB3 SER 30 3HB SER 30 12.876 5.271 -4.034 241 HG SER 30 HG SER 30 11.709 3.198 -3.870 242 H VAL 31 H VAL 31 15.837 5.451 -4.207 243 HA VAL 31 HA VAL 31 17.629 4.751 -1.977 244 HB VAL 31 HB VAL 31 18.452 6.464 -4.300 245 HG11 VAL 31 1HG1 VAL 31 19.884 6.362 -2.303 246 HG12 VAL 31 2HG1 VAL 31 20.000 4.611 -2.492 247 HG13 VAL 31 3HG1 VAL 31 20.672 5.679 -3.724 248 HG21 VAL 31 3HG2 VAL 31 17.671 4.558 -5.438 249 HG22 VAL 31 1HG2 VAL 31 19.409 4.312 -5.266 250 HG23 VAL 31 2HG2 VAL 31 18.288 3.464 -4.201 251 H ILE 32 H ILE 32 17.476 6.061 -0.290 252 HA ILE 32 HA ILE 32 16.441 8.763 -0.619 253 HB ILE 32 HB ILE 32 17.147 7.235 1.889 254 HG12 ILE 32 2HG1 ILE 32 14.366 7.894 1.594 255 HG13 ILE 32 3HG1 ILE 32 14.920 7.045 0.155 256 HG21 ILE 32 1HG2 ILE 32 15.756 9.889 1.549 257 HG22 ILE 32 2HG2 ILE 32 15.943 9.017 3.070 258 HG23 ILE 32 3HG2 ILE 32 17.364 9.631 2.226 259 HD11 ILE 32 3HD1 ILE 32 15.798 5.252 1.612 260 HD12 ILE 32 1HD1 ILE 32 15.097 6.085 2.999 261 HD13 ILE 32 2HD1 ILE 32 14.051 5.461 1.722 262 H VAL 33 H VAL 33 17.971 10.129 -1.351 263 HA VAL 33 HA VAL 33 20.591 10.129 -0.008 264 HB VAL 33 HB VAL 33 19.905 11.493 -2.610 265 HG11 VAL 33 1HG1 VAL 33 22.464 10.925 -1.142 266 HG12 VAL 33 2HG1 VAL 33 22.432 11.307 -2.865 267 HG13 VAL 33 3HG1 VAL 33 21.831 12.477 -1.690 268 HG21 VAL 33 3HG2 VAL 33 20.942 8.723 -2.079 269 HG22 VAL 33 1HG2 VAL 33 19.577 9.214 -3.082 270 HG23 VAL 33 2HG2 VAL 33 21.225 9.554 -3.609 271 H PHE 34 H PHE 34 20.567 11.513 1.649 272 HA PHE 34 HA PHE 34 18.930 13.872 1.664 273 HB2 PHE 34 2HB PHE 34 21.139 13.409 3.633 274 HB3 PHE 34 3HB PHE 34 19.552 14.125 3.890 275 HD1 PHE 34 HD1 PHE 34 21.506 11.099 3.916 276 HD2 PHE 34 HD2 PHE 34 17.544 12.654 3.971 277 HE1 PHE 34 HE1 PHE 34 20.672 8.937 4.745 278 HE2 PHE 34 HE2 PHE 34 16.704 10.495 4.800 279 HZ PHE 34 HZ PHE 34 18.269 8.633 5.190 280 H THR 35 H THR 35 19.450 15.631 0.559 281 HA THR 35 HA THR 35 22.128 16.736 0.791 282 HB THR 35 HB THR 35 21.713 17.164 -1.886 283 HG1 THR 35 HG1 THR 35 21.091 15.216 -2.787 284 HG21 THR 35 3HG2 THR 35 23.872 16.644 -1.354 285 HG22 THR 35 1HG2 THR 35 23.377 15.092 -2.028 286 HG23 THR 35 2HG2 THR 35 23.406 15.325 -0.280 287 H HIS 36 H HIS 36 22.225 18.959 0.439 288 HA HIS 36 HA HIS 36 20.028 20.484 1.109 289 HB2 HIS 36 2HB HIS 36 22.466 21.303 -0.483 290 HB3 HIS 36 3HB HIS 36 21.317 22.431 0.231 291 HD1 HIS 36 HD1 HIS 36 24.303 22.426 1.036 292 HD2 HIS 36 HD2 HIS 36 21.309 20.403 3.085 293 HE1 HIS 36 HE1 HIS 36 25.175 22.125 3.375 294 HA PRO 37 HA PRO 37 17.511 20.905 -2.461 295 HB2 PRO 37 2HB PRO 37 16.585 23.439 -2.160 296 HB3 PRO 37 3HB PRO 37 16.051 22.095 -1.145 297 HG2 PRO 37 2HG PRO 37 18.088 24.210 -0.568 298 HG3 PRO 37 3HG PRO 37 16.826 23.554 0.491 299 HD2 PRO 37 2HD PRO 37 19.413 22.773 0.652 300 HD3 PRO 37 3HD PRO 37 18.062 21.680 1.013 301 H ASP 38 H ASP 38 19.570 23.753 -1.865 302 HA ASP 38 HA ASP 38 20.196 23.798 -4.737 303 HB2 ASP 38 2HB ASP 38 18.608 25.589 -4.365 304 HB3 ASP 38 3HB ASP 38 19.544 26.184 -2.997 305 H SER 39 H SER 39 22.166 22.768 -4.324 306 HA SER 39 HA SER 39 24.103 24.330 -2.748 307 HB2 SER 39 2HB SER 39 23.485 21.787 -2.264 308 HB3 SER 39 3HB SER 39 24.679 21.509 -3.532 309 HG SER 39 HG SER 39 25.007 22.509 -0.960 310 H LYS 40 H LYS 40 25.085 25.660 -4.156 311 HA LYS 40 HA LYS 40 25.667 24.911 -6.860 312 HB2 LYS 40 2HB LYS 40 25.981 27.314 -5.173 313 HB3 LYS 40 3HB LYS 40 27.177 27.133 -6.450 314 HG2 LYS 40 2HG LYS 40 25.279 26.853 -8.061 315 HG3 LYS 40 3HG LYS 40 24.189 27.295 -6.745 316 HD2 LYS 40 2HD LYS 40 26.495 29.022 -7.623 317 HD3 LYS 40 3HD LYS 40 24.869 29.172 -8.294 318 HE2 LYS 40 2HE LYS 40 24.065 29.445 -5.904 319 HE3 LYS 40 3HE LYS 40 25.761 29.621 -5.455 320 HZ1 LYS 40 3HZ LYS 40 24.481 31.734 -5.890 321 HZ2 LYS 40 1HZ LYS 40 24.496 31.312 -7.529 322 HZ3 LYS 40 2HZ LYS 40 25.952 31.575 -6.710 323 H ARG 41 H ARG 41 27.681 25.573 -3.996 324 HA ARG 41 HA ARG 41 30.113 24.814 -5.246 325 HB2 ARG 41 2HB ARG 41 29.238 25.680 -2.602 326 HB3 ARG 41 3HB ARG 41 30.512 24.470 -2.526 327 HG2 ARG 41 2HG ARG 41 30.671 27.005 -4.141 328 HG3 ARG 41 3HG ARG 41 31.338 26.804 -2.519 329 HD2 ARG 41 2HD ARG 41 32.088 25.129 -4.912 330 HD3 ARG 41 3HD ARG 41 33.015 26.507 -4.320 331 HE ARG 41 HE ARG 41 32.951 23.862 -3.213 332 HH11 ARG 41 1HH1 ARG 41 33.487 27.229 -2.511 333 HH12 ARG 41 2HH1 ARG 41 34.498 26.917 -1.139 334 HH21 ARG 41 2HH2 ARG 41 34.949 24.760 -0.513 335 HH22 ARG 41 1HH2 ARG 41 34.280 23.437 -1.408 336 H SER 42 H SER 42 27.566 23.052 -3.731 337 HA SER 42 HA SER 42 29.208 20.606 -3.788 338 HB2 SER 42 2HB SER 42 27.761 21.648 -1.663 339 HB3 SER 42 3HB SER 42 26.702 20.393 -2.306 340 HG SER 42 HG SER 42 29.296 20.163 -1.242 341 H LYS 43 H LYS 43 27.250 18.707 -3.678 342 HA LYS 43 HA LYS 43 25.817 17.492 -4.960 343 HB2 LYS 43 2HB LYS 43 24.832 20.236 -5.152 344 HB3 LYS 43 3HB LYS 43 24.411 19.261 -6.554 345 HG2 LYS 43 2HG LYS 43 23.426 17.575 -5.051 346 HG3 LYS 43 3HG LYS 43 23.786 18.624 -3.678 347 HD2 LYS 43 2HD LYS 43 21.722 19.437 -4.017 348 HD3 LYS 43 3HD LYS 43 22.462 20.327 -5.350 349 HE2 LYS 43 2HE LYS 43 21.733 18.755 -6.941 350 HE3 LYS 43 3HE LYS 43 21.358 17.556 -5.705 351 HZ1 LYS 43 3HZ LYS 43 19.285 18.302 -5.809 352 HZ2 LYS 43 1HZ LYS 43 19.718 19.633 -6.758 353 HZ3 LYS 43 2HZ LYS 43 19.815 19.730 -5.072 354 H GLU 44 H GLU 44 28.457 18.710 -6.002 355 HA GLU 44 HA GLU 44 28.136 18.855 -8.839 356 HB2 GLU 44 2HB GLU 44 30.615 18.819 -8.881 357 HB3 GLU 44 3HB GLU 44 29.963 20.037 -7.794 358 HG2 GLU 44 2HG GLU 44 30.255 17.971 -6.088 359 HG3 GLU 44 3HG GLU 44 31.570 17.648 -7.216 360 H ILE 45 H ILE 45 29.252 16.374 -6.577 361 HA ILE 45 HA ILE 45 29.984 14.474 -8.545 362 HB ILE 45 HB ILE 45 29.895 12.820 -6.707 363 HG12 ILE 45 2HG1 ILE 45 29.544 14.033 -4.379 364 HG13 ILE 45 3HG1 ILE 45 28.526 15.098 -5.342 365 HG21 ILE 45 1HG2 ILE 45 31.591 15.027 -6.987 366 HG22 ILE 45 2HG2 ILE 45 31.293 14.870 -5.257 367 HG23 ILE 45 3HG2 ILE 45 31.938 13.504 -6.168 368 HD11 ILE 45 3HD1 ILE 45 27.524 13.014 -4.138 369 HD12 ILE 45 1HD1 ILE 45 26.976 13.469 -5.751 370 HD13 ILE 45 2HD1 ILE 45 28.139 12.157 -5.551 371 H LYS 46 H LYS 46 26.971 15.601 -7.544 372 HA LYS 46 HA LYS 46 25.271 13.464 -7.506 373 HB2 LYS 46 2HB LYS 46 24.934 16.201 -8.718 374 HB3 LYS 46 3HB LYS 46 23.620 15.032 -8.694 375 HG2 LYS 46 2HG LYS 46 25.069 16.032 -6.252 376 HG3 LYS 46 3HG LYS 46 23.524 16.652 -6.838 377 HD2 LYS 46 2HD LYS 46 22.395 14.946 -5.940 378 HD3 LYS 46 3HD LYS 46 23.530 13.757 -6.584 379 HE2 LYS 46 2HE LYS 46 24.683 15.305 -4.419 380 HE3 LYS 46 3HE LYS 46 23.208 14.476 -3.924 381 HZ1 LYS 46 3HZ LYS 46 25.605 13.333 -3.918 382 HZ2 LYS 46 1HZ LYS 46 25.091 12.896 -5.470 383 HZ3 LYS 46 2HZ LYS 46 24.167 12.466 -4.120 384 H GLU 47 H GLU 47 26.686 15.009 -10.356 385 HA GLU 47 HA GLU 47 25.308 13.804 -12.391 386 HB2 GLU 47 2HB GLU 47 27.200 15.480 -12.571 387 HB3 GLU 47 3HB GLU 47 28.308 14.124 -12.411 388 HG2 GLU 47 2HG GLU 47 27.434 13.128 -14.433 389 HG3 GLU 47 3HG GLU 47 26.239 14.415 -14.578 390 H LYS 48 H LYS 48 27.949 12.437 -10.481 391 HA LYS 48 HA LYS 48 28.394 10.094 -11.896 392 HB2 LYS 48 2HB LYS 48 28.436 10.313 -8.885 393 HB3 LYS 48 3HB LYS 48 29.362 9.204 -9.888 394 HG2 LYS 48 2HG LYS 48 29.982 11.813 -10.760 395 HG3 LYS 48 3HG LYS 48 30.051 11.820 -8.996 396 HD2 LYS 48 2HD LYS 48 31.445 9.695 -9.209 397 HD3 LYS 48 3HD LYS 48 31.588 10.096 -10.922 398 HE2 LYS 48 2HE LYS 48 32.230 12.468 -9.759 399 HE3 LYS 48 3HE LYS 48 32.860 11.323 -8.576 400 HZ1 LYS 48 3HZ LYS 48 34.636 11.293 -9.913 401 HZ2 LYS 48 1HZ LYS 48 33.795 11.919 -11.240 402 HZ3 LYS 48 2HZ LYS 48 33.715 10.266 -10.892 403 H LEU 49 H LEU 49 26.008 10.751 -9.356 404 HA LEU 49 HA LEU 49 24.934 8.099 -9.399 405 HB2 LEU 49 2HB LEU 49 24.855 9.662 -7.446 406 HB3 LEU 49 3HB LEU 49 23.653 10.605 -8.325 407 HG LEU 49 HG LEU 49 22.224 8.516 -8.352 408 HD11 LEU 49 1HD1 LEU 49 23.730 6.782 -7.895 409 HD12 LEU 49 2HD1 LEU 49 22.788 6.956 -6.416 410 HD13 LEU 49 3HD1 LEU 49 24.417 7.624 -6.506 411 HD21 LEU 49 3HD2 LEU 49 22.896 10.192 -6.003 412 HD22 LEU 49 1HD2 LEU 49 21.874 8.781 -5.725 413 HD23 LEU 49 2HD2 LEU 49 21.374 10.019 -6.878 414 H LYS 50 H LYS 50 24.228 11.113 -11.019 415 HA LYS 50 HA LYS 50 21.653 10.478 -11.972 416 HB2 LYS 50 2HB LYS 50 23.759 12.293 -13.161 417 HB3 LYS 50 3HB LYS 50 22.071 12.251 -13.653 418 HG2 LYS 50 2HG LYS 50 22.533 12.663 -10.780 419 HG3 LYS 50 3HG LYS 50 23.082 13.965 -11.837 420 HD2 LYS 50 2HD LYS 50 20.922 14.313 -12.704 421 HD3 LYS 50 3HD LYS 50 20.333 12.774 -12.073 422 HE2 LYS 50 2HE LYS 50 19.484 14.052 -10.428 423 HE3 LYS 50 3HE LYS 50 21.125 13.986 -9.788 424 HZ1 LYS 50 3HZ LYS 50 19.670 16.220 -10.803 425 HZ2 LYS 50 1HZ LYS 50 21.167 16.054 -11.574 426 HZ3 LYS 50 2HZ LYS 50 21.094 16.190 -9.890 427 H LYS 51 H LYS 51 24.876 10.003 -13.362 428 HA LYS 51 HA LYS 51 23.990 8.939 -15.829 429 HB2 LYS 51 2HB LYS 51 26.580 8.963 -14.338 430 HB3 LYS 51 3HB LYS 51 26.406 7.882 -15.714 431 HG2 LYS 51 2HG LYS 51 25.596 10.004 -16.961 432 HG3 LYS 51 3HG LYS 51 26.390 10.867 -15.641 433 HD2 LYS 51 2HD LYS 51 28.138 10.721 -17.104 434 HD3 LYS 51 3HD LYS 51 28.366 9.206 -16.227 435 HE2 LYS 51 2HE LYS 51 26.519 8.915 -18.443 436 HE3 LYS 51 3HE LYS 51 28.091 9.513 -18.971 437 HZ1 LYS 51 3HZ LYS 51 28.760 7.412 -18.887 438 HZ2 LYS 51 1HZ LYS 51 27.356 6.904 -18.091 439 HZ3 LYS 51 2HZ LYS 51 28.663 7.504 -17.200 440 H LEU 52 H LEU 52 24.567 7.536 -12.683 441 HA LEU 52 HA LEU 52 24.742 4.838 -13.366 442 HB2 LEU 52 2HB LEU 52 25.230 5.607 -11.139 443 HB3 LEU 52 3HB LEU 52 23.569 6.155 -10.924 444 HG LEU 52 HG LEU 52 23.802 3.300 -11.521 445 HD11 LEU 52 1HD1 LEU 52 25.048 4.438 -9.026 446 HD12 LEU 52 2HD1 LEU 52 25.816 3.421 -10.245 447 HD13 LEU 52 3HD1 LEU 52 24.556 2.753 -9.208 448 HD21 LEU 52 3HD2 LEU 52 21.719 4.350 -10.841 449 HD22 LEU 52 1HD2 LEU 52 22.462 4.892 -9.337 450 HD23 LEU 52 2HD2 LEU 52 22.235 3.169 -9.636 451 H ALA 53 H ALA 53 22.072 6.986 -13.490 452 HA ALA 53 HA ALA 53 19.883 5.345 -13.111 453 HB1 ALA 53 1HB ALA 53 19.845 7.308 -15.355 454 HB2 ALA 53 2HB ALA 53 18.622 6.974 -14.129 455 HB3 ALA 53 3HB ALA 53 20.070 7.886 -13.704 456 H GLU 54 H GLU 54 22.149 5.407 -15.742 457 HA GLU 54 HA GLU 54 20.496 3.893 -17.547 458 HB2 GLU 54 2HB GLU 54 22.264 5.495 -18.300 459 HB3 GLU 54 3HB GLU 54 23.475 4.381 -17.681 460 HG2 GLU 54 2HG GLU 54 23.454 3.294 -19.600 461 HG3 GLU 54 3HG GLU 54 21.750 2.907 -19.367 462 H GLU 55 H GLU 55 23.079 3.225 -15.257 463 HA GLU 55 HA GLU 55 23.608 0.570 -16.006 464 HB2 GLU 55 2HB GLU 55 25.225 1.295 -14.572 465 HB3 GLU 55 3HB GLU 55 24.101 2.251 -13.617 466 HG2 GLU 55 2HG GLU 55 23.477 0.455 -12.306 467 HG3 GLU 55 3HG GLU 55 24.005 -0.730 -13.499 468 H PHE 56 H PHE 56 21.155 1.980 -13.930 469 HA PHE 56 HA PHE 56 19.598 -0.442 -14.069 470 HB2 PHE 56 2HB PHE 56 21.216 -0.700 -12.094 471 HB3 PHE 56 3HB PHE 56 20.276 0.567 -11.312 472 HD1 PHE 56 HD1 PHE 56 19.003 -0.359 -9.642 473 HD2 PHE 56 HD2 PHE 56 19.302 -2.384 -13.374 474 HE1 PHE 56 HE1 PHE 56 17.391 -2.042 -8.854 475 HE2 PHE 56 HE2 PHE 56 17.689 -4.069 -12.593 476 HZ PHE 56 HZ PHE 56 16.731 -3.900 -10.331 477 HA PRO 57 HA PRO 57 17.229 3.549 -13.963 478 HB2 PRO 57 2HB PRO 57 15.713 2.976 -16.141 479 HB3 PRO 57 3HB PRO 57 17.304 3.737 -16.252 480 HG2 PRO 57 2HG PRO 57 16.546 0.868 -16.643 481 HG3 PRO 57 3HG PRO 57 17.652 1.873 -17.597 482 HD2 PRO 57 2HD PRO 57 18.525 0.096 -15.750 483 HD3 PRO 57 3HD PRO 57 19.384 1.610 -16.099 484 H ASP 58 H ASP 58 16.602 0.238 -13.660 485 HA ASP 58 HA ASP 58 13.762 0.314 -13.438 486 HB2 ASP 58 2HB ASP 58 14.443 -1.839 -13.833 487 HB3 ASP 58 3HB ASP 58 15.906 -1.668 -12.868 488 H VAL 59 H VAL 59 16.348 1.151 -11.342 489 HA VAL 59 HA VAL 59 14.775 0.919 -8.916 490 HB VAL 59 HB VAL 59 17.239 0.486 -8.944 491 HG11 VAL 59 1HG1 VAL 59 18.692 1.970 -9.736 492 HG12 VAL 59 2HG1 VAL 59 17.322 2.947 -10.267 493 HG13 VAL 59 3HG1 VAL 59 18.053 3.235 -8.687 494 HG21 VAL 59 3HG2 VAL 59 16.421 2.735 -7.111 495 HG22 VAL 59 1HG2 VAL 59 15.965 1.047 -6.885 496 HG23 VAL 59 2HG2 VAL 59 17.663 1.519 -6.815 497 H ASP 60 H ASP 60 14.262 2.702 -7.553 498 HA ASP 60 HA ASP 60 13.651 5.127 -9.070 499 HB2 ASP 60 2HB ASP 60 12.674 4.975 -6.309 500 HB3 ASP 60 3HB ASP 60 11.799 5.326 -7.797 501 H ILE 61 H ILE 61 15.166 6.650 -9.004 502 HA ILE 61 HA ILE 61 16.648 7.062 -6.495 503 HB ILE 61 HB ILE 61 17.454 8.187 -9.163 504 HG12 ILE 61 2HG1 ILE 61 19.115 6.027 -8.724 505 HG13 ILE 61 3HG1 ILE 61 17.537 5.405 -8.256 506 HG21 ILE 61 1HG2 ILE 61 19.736 7.897 -7.970 507 HG22 ILE 61 2HG2 ILE 61 18.682 9.231 -7.504 508 HG23 ILE 61 3HG2 ILE 61 18.761 7.780 -6.506 509 HD11 ILE 61 3HD1 ILE 61 17.895 6.842 -10.850 510 HD12 ILE 61 1HD1 ILE 61 18.322 5.138 -10.691 511 HD13 ILE 61 2HD1 ILE 61 16.667 5.665 -10.383 512 H TYR 62 H TYR 62 15.790 8.633 -5.306 513 HA TYR 62 HA TYR 62 15.077 11.154 -6.639 514 HB2 TYR 62 2HB TYR 62 13.079 11.394 -5.403 515 HB3 TYR 62 3HB TYR 62 13.058 9.731 -5.979 516 HD1 TYR 62 HD1 TYR 62 12.872 11.864 -3.120 517 HD2 TYR 62 HD2 TYR 62 13.831 7.907 -4.356 518 HE1 TYR 62 HE1 TYR 62 12.574 11.076 -0.809 519 HE2 TYR 62 HE2 TYR 62 13.534 7.108 -2.049 520 HH TYR 62 HH TYR 62 11.970 8.287 0.119 521 H LEU 63 H LEU 63 15.661 13.000 -5.582 522 HA LEU 63 HA LEU 63 17.404 12.646 -3.261 523 HB2 LEU 63 2HB LEU 63 16.990 15.078 -4.993 524 HB3 LEU 63 3HB LEU 63 18.228 14.871 -3.756 525 HG LEU 63 HG LEU 63 18.131 13.018 -6.104 526 HD11 LEU 63 1HD1 LEU 63 20.020 14.923 -6.745 527 HD12 LEU 63 2HD1 LEU 63 18.640 15.874 -6.196 528 HD13 LEU 63 3HD1 LEU 63 18.444 14.714 -7.510 529 HD21 LEU 63 3HD2 LEU 63 20.645 13.183 -5.659 530 HD22 LEU 63 1HD2 LEU 63 19.660 12.321 -4.477 531 HD23 LEU 63 2HD2 LEU 63 20.196 13.967 -4.143 532 H VAL 64 H VAL 64 17.219 13.951 -1.396 533 HA VAL 64 HA VAL 64 14.588 15.230 -1.036 534 HB VAL 64 HB VAL 64 16.065 13.622 1.053 535 HG11 VAL 64 1HG1 VAL 64 14.098 13.932 2.420 536 HG12 VAL 64 2HG1 VAL 64 14.723 15.506 1.924 537 HG13 VAL 64 3HG1 VAL 64 13.302 14.829 1.127 538 HG21 VAL 64 3HG2 VAL 64 13.504 12.916 -0.370 539 HG22 VAL 64 1HG2 VAL 64 15.086 12.270 -0.805 540 HG23 VAL 64 2HG2 VAL 64 14.399 11.926 0.782 541 H ASP 65 H ASP 65 14.562 17.174 -0.032 542 HA ASP 65 HA ASP 65 17.145 18.414 0.500 543 HB2 ASP 65 2HB ASP 65 15.680 20.503 0.746 544 HB3 ASP 65 3HB ASP 65 15.779 19.776 -0.855 545 H THR 66 H THR 66 17.456 19.744 2.418 546 HA THR 66 HA THR 66 16.651 18.338 4.789 547 HB THR 66 HB THR 66 17.876 20.632 5.689 548 HG1 THR 66 HG1 THR 66 19.332 21.282 4.226 549 HG21 THR 66 3HG2 THR 66 19.572 19.224 6.320 550 HG22 THR 66 1HG2 THR 66 19.599 18.383 4.770 551 HG23 THR 66 2HG2 THR 66 18.325 18.037 5.939 552 H SER 67 H SER 67 15.549 21.105 3.061 553 HA SER 67 HA SER 67 14.271 22.441 5.226 554 HB2 SER 67 2HB SER 67 14.723 22.952 2.491 555 HB3 SER 67 3HB SER 67 12.973 22.955 2.703 556 HG SER 67 HG SER 67 14.861 24.482 4.175 557 H THR 68 H THR 68 13.492 19.692 3.338 558 HA THR 68 HA THR 68 10.644 19.835 3.932 559 HB THR 68 HB THR 68 10.791 17.456 2.798 560 HG1 THR 68 HG1 THR 68 12.668 17.018 1.929 561 HG21 THR 68 3HG2 THR 68 10.936 18.792 0.519 562 HG22 THR 68 1HG2 THR 68 10.833 20.181 1.600 563 HG23 THR 68 2HG2 THR 68 9.553 18.967 1.600 564 H ASN 69 H ASN 69 13.508 18.461 5.222 565 HA ASN 69 HA ASN 69 12.023 17.297 7.405 566 HB2 ASN 69 2HB ASN 69 13.026 15.055 7.183 567 HB3 ASN 69 3HB ASN 69 11.992 15.443 5.811 568 HD21 ASN 69 2HD2 ASN 69 14.954 13.927 4.372 569 HD22 ASN 69 1HD2 ASN 69 13.587 13.472 5.326 570 HA PRO 70 HA PRO 70 16.215 19.121 8.363 571 HB2 PRO 70 2HB PRO 70 15.309 20.875 10.226 572 HB3 PRO 70 3HB PRO 70 15.386 21.259 8.502 573 HG2 PRO 70 2HG PRO 70 13.042 20.383 10.145 574 HG3 PRO 70 3HG PRO 70 13.129 21.646 8.903 575 HD2 PRO 70 2HD PRO 70 12.118 19.184 8.408 576 HD3 PRO 70 3HD PRO 70 12.970 20.132 7.173 577 H GLU 71 H GLU 71 13.536 17.915 10.266 578 HA GLU 71 HA GLU 71 15.163 17.476 12.619 579 HB2 GLU 71 2HB GLU 71 12.296 16.948 11.905 580 HB3 GLU 71 3HB GLU 71 13.006 16.208 13.333 581 HG2 GLU 71 2HG GLU 71 13.233 18.209 14.430 582 HG3 GLU 71 3HG GLU 71 13.277 19.146 12.938 583 H ALA 72 H ALA 72 14.089 15.694 9.838 584 HA ALA 72 HA ALA 72 14.295 13.072 10.670 585 HB1 ALA 72 1HB ALA 72 13.489 13.585 8.478 586 HB2 ALA 72 2HB ALA 72 15.039 14.289 8.016 587 HB3 ALA 72 3HB ALA 72 14.911 12.555 8.310 588 H ARG 73 H ARG 73 16.861 15.326 9.809 589 HA ARG 73 HA ARG 73 18.989 13.498 9.711 590 HB2 ARG 73 2HB ARG 73 18.654 16.312 9.557 591 HB3 ARG 73 3HB ARG 73 19.891 15.998 10.767 592 HG2 ARG 73 2HG ARG 73 20.520 14.313 8.640 593 HG3 ARG 73 3HG ARG 73 20.047 15.843 7.899 594 HD2 ARG 73 2HD ARG 73 22.210 15.345 9.929 595 HD3 ARG 73 3HD ARG 73 22.379 15.976 8.291 596 HE ARG 73 HE ARG 73 21.643 17.449 10.656 597 HH11 ARG 73 1HH1 ARG 73 21.577 17.357 7.177 598 HH12 ARG 73 2HH1 ARG 73 21.409 19.072 7.004 599 HH21 ARG 73 2HH2 ARG 73 21.320 20.410 8.862 600 HH22 ARG 73 1HH2 ARG 73 21.420 19.709 10.442 601 H GLU 74 H GLU 74 18.045 15.675 12.379 602 HA GLU 74 HA GLU 74 19.827 14.672 14.273 603 HB2 GLU 74 2HB GLU 74 18.283 16.762 14.342 604 HB3 GLU 74 3HB GLU 74 17.100 15.665 15.041 605 HG2 GLU 74 2HG GLU 74 18.840 15.083 16.770 606 HG3 GLU 74 3HG GLU 74 19.782 16.436 16.147 607 H TRP 75 H TRP 75 16.878 13.361 13.060 608 HA TRP 75 HA TRP 75 15.982 11.768 15.124 609 HB2 TRP 75 2HB TRP 75 15.037 12.091 12.737 610 HB3 TRP 75 3HB TRP 75 16.080 10.740 12.299 611 HD1 TRP 75 HD1 TRP 75 15.669 8.592 14.326 612 HE1 TRP 75 HE1 TRP 75 13.377 7.551 14.861 613 HE3 TRP 75 HE3 TRP 75 12.654 12.357 12.632 614 HZ2 TRP 75 HZ2 TRP 75 10.651 8.236 14.599 615 HZ3 TRP 75 HZ3 TRP 75 10.215 12.085 12.810 616 HH2 TRP 75 HH2 TRP 75 9.236 10.066 13.773 617 H TYR 76 H TYR 76 18.603 11.138 12.836 618 HA TYR 76 HA TYR 76 19.472 8.926 14.573 619 HB2 TYR 76 2HB TYR 76 18.469 8.154 12.387 620 HB3 TYR 76 3HB TYR 76 19.802 8.963 11.570 621 HD1 TYR 76 HD1 TYR 76 19.642 6.808 14.622 622 HD2 TYR 76 HD2 TYR 76 21.255 7.381 10.726 623 HE1 TYR 76 HE1 TYR 76 21.029 4.797 14.906 624 HE2 TYR 76 HE2 TYR 76 22.645 5.371 11.000 625 HH TYR 76 HH TYR 76 23.230 3.925 13.921 626 H ASN 77 H ASN 77 20.177 11.910 13.939 627 HA ASN 77 HA ASN 77 22.042 13.216 13.803 628 HB2 ASN 77 2HB ASN 77 23.743 11.070 14.960 629 HB3 ASN 77 3HB ASN 77 23.581 12.759 15.435 630 HD21 ASN 77 2HD2 ASN 77 20.683 12.156 17.454 631 HD22 ASN 77 1HD2 ASN 77 21.310 13.278 16.300 632 H ILE 78 H ILE 78 22.316 13.282 11.571 633 HA ILE 78 HA ILE 78 24.052 11.282 10.337 634 HB ILE 78 HB ILE 78 22.265 13.426 9.247 635 HG12 ILE 78 2HG1 ILE 78 21.388 11.146 9.692 636 HG13 ILE 78 3HG1 ILE 78 21.312 11.581 7.988 637 HG21 ILE 78 1HG2 ILE 78 23.197 12.711 6.967 638 HG22 ILE 78 2HG2 ILE 78 24.145 13.842 7.930 639 HG23 ILE 78 3HG2 ILE 78 24.597 12.139 7.873 640 HD11 ILE 78 3HD1 ILE 78 22.036 9.317 8.171 641 HD12 ILE 78 1HD1 ILE 78 23.402 10.293 7.631 642 HD13 ILE 78 2HD1 ILE 78 23.306 9.762 9.311 643 H THR 79 H THR 79 26.166 11.612 10.343 644 HA THR 79 HA THR 79 27.259 14.261 10.773 645 HB THR 79 HB THR 79 29.482 12.967 10.599 646 HG1 THR 79 HG1 THR 79 29.147 10.678 11.031 647 HG21 THR 79 3HG2 THR 79 28.058 11.750 12.846 648 HG22 THR 79 1HG2 THR 79 27.790 13.486 12.694 649 HG23 THR 79 2HG2 THR 79 29.431 12.857 12.842 650 H SER 80 H SER 80 26.900 11.967 8.166 651 HA SER 80 HA SER 80 28.389 13.782 6.386 652 HB2 SER 80 2HB SER 80 28.095 11.490 4.929 653 HB3 SER 80 3HB SER 80 29.507 11.870 5.915 654 HG SER 80 HG SER 80 28.626 10.658 7.585 655 H VAL 81 H VAL 81 26.872 15.162 5.634 656 HA VAL 81 HA VAL 81 24.219 14.897 5.235 657 HB VAL 81 HB VAL 81 25.304 16.166 2.879 658 HG11 VAL 81 1HG1 VAL 81 23.143 16.586 4.167 659 HG12 VAL 81 2HG1 VAL 81 24.135 17.504 5.301 660 HG13 VAL 81 3HG1 VAL 81 24.037 18.000 3.612 661 HG21 VAL 81 3HG2 VAL 81 26.503 17.020 5.514 662 HG22 VAL 81 1HG2 VAL 81 27.374 16.268 4.177 663 HG23 VAL 81 2HG2 VAL 81 26.666 17.871 3.978 664 HA PRO 82 HA PRO 82 24.779 12.949 0.847 665 HB2 PRO 82 2HB PRO 82 27.271 12.112 0.166 666 HB3 PRO 82 3HB PRO 82 26.684 13.747 -0.161 667 HG2 PRO 82 2HG PRO 82 28.429 12.771 2.067 668 HG3 PRO 82 3HG PRO 82 28.584 14.240 1.086 669 HD2 PRO 82 2HD PRO 82 27.535 14.260 3.582 670 HD3 PRO 82 3HD PRO 82 26.998 15.378 2.312 671 H THR 83 H THR 83 23.736 11.466 2.481 672 HA THR 83 HA THR 83 25.329 9.044 2.965 673 HB THR 83 HB THR 83 22.661 9.057 4.140 674 HG1 THR 83 HG1 THR 83 24.374 11.249 4.527 675 HG21 THR 83 3HG2 THR 83 25.226 9.030 5.673 676 HG22 THR 83 1HG2 THR 83 24.826 7.666 4.630 677 HG23 THR 83 2HG2 THR 83 23.745 8.115 5.949 678 H PHE 84 H PHE 84 24.134 6.956 2.768 679 HA PHE 84 HA PHE 84 22.141 7.014 0.607 680 HB2 PHE 84 2HB PHE 84 24.791 5.706 0.641 681 HB3 PHE 84 3HB PHE 84 23.464 4.711 0.049 682 HD1 PHE 84 HD1 PHE 84 26.023 6.587 -1.069 683 HD2 PHE 84 HD2 PHE 84 21.794 6.352 -1.491 684 HE1 PHE 84 HE1 PHE 84 26.184 7.688 -3.264 685 HE2 PHE 84 HE2 PHE 84 21.949 7.451 -3.687 686 HZ PHE 84 HZ PHE 84 24.146 8.120 -4.577 687 H VAL 85 H VAL 85 20.335 6.138 1.353 688 HA VAL 85 HA VAL 85 20.538 3.852 3.205 689 HB VAL 85 HB VAL 85 18.112 5.607 3.085 690 HG11 VAL 85 1HG1 VAL 85 18.316 3.330 4.294 691 HG12 VAL 85 2HG1 VAL 85 19.251 4.232 5.488 692 HG13 VAL 85 3HG1 VAL 85 17.580 4.686 5.148 693 HG21 VAL 85 3HG2 VAL 85 19.676 7.271 3.523 694 HG22 VAL 85 1HG2 VAL 85 19.185 6.754 5.136 695 HG23 VAL 85 2HG2 VAL 85 20.712 6.190 4.456 696 H ILE 86 H ILE 86 19.539 2.010 2.652 697 HA ILE 86 HA ILE 86 17.854 2.049 0.236 698 HB ILE 86 HB ILE 86 19.124 -0.468 1.215 699 HG12 ILE 86 2HG1 ILE 86 20.546 1.641 -0.425 700 HG13 ILE 86 3HG1 ILE 86 20.950 1.180 1.225 701 HG21 ILE 86 1HG2 ILE 86 19.282 -0.154 -1.575 702 HG22 ILE 86 2HG2 ILE 86 18.196 -1.200 -0.662 703 HG23 ILE 86 3HG2 ILE 86 17.691 0.434 -1.092 704 HD11 ILE 86 3HD1 ILE 86 21.124 -1.213 0.066 705 HD12 ILE 86 1HD1 ILE 86 21.507 -0.196 -1.323 706 HD13 ILE 86 2HD1 ILE 86 22.474 -0.082 0.148 707 H GLU 87 H GLU 87 15.800 1.421 0.404 708 HA GLU 87 HA GLU 87 15.003 -0.251 2.681 709 HB2 GLU 87 2HB GLU 87 13.233 1.137 3.309 710 HB3 GLU 87 3HB GLU 87 14.546 2.264 3.003 711 HG2 GLU 87 2HG GLU 87 12.206 1.654 1.220 712 HG3 GLU 87 3HG GLU 87 12.561 3.165 2.055 713 H LYS 88 H LYS 88 13.341 -1.677 2.292 714 HA LYS 88 HA LYS 88 12.311 -1.749 -0.468 715 HB2 LYS 88 2HB LYS 88 13.952 -3.527 -0.126 716 HB3 LYS 88 3HB LYS 88 13.075 -4.086 1.293 717 HG2 LYS 88 2HG LYS 88 11.176 -4.090 -0.725 718 HG3 LYS 88 3HG LYS 88 12.647 -4.680 -1.503 719 HD2 LYS 88 2HD LYS 88 12.713 -6.574 -0.246 720 HD3 LYS 88 3HD LYS 88 12.000 -5.792 1.166 721 HE2 LYS 88 2HE LYS 88 9.886 -5.690 -0.433 722 HE3 LYS 88 3HE LYS 88 10.688 -7.076 -1.171 723 HZ1 LYS 88 3HZ LYS 88 9.545 -6.809 1.519 724 HZ2 LYS 88 1HZ LYS 88 10.846 -7.866 1.289 725 HZ3 LYS 88 2HZ LYS 88 9.413 -8.085 0.417 726 H GLY 89 H GLY 89 10.569 -0.444 0.585 727 HA2 GLY 89 2HA GLY 89 8.498 -0.236 1.578 728 HA3 GLY 89 3HA GLY 89 8.214 -1.801 0.830 729 H GLY 90 H GLY 90 10.512 -1.105 3.420 730 HA2 GLY 90 2HA GLY 90 8.780 -2.136 5.476 731 HA3 GLY 90 3HA GLY 90 10.022 -3.279 4.986 732 H GLU 91 H GLU 91 12.155 -2.917 5.545 733 HA GLU 91 HA GLU 91 12.681 -0.565 7.232 734 HB2 GLU 91 2HB GLU 91 12.788 -3.394 7.958 735 HB3 GLU 91 3HB GLU 91 14.284 -2.540 8.306 736 HG2 GLU 91 2HG GLU 91 13.362 -1.827 10.182 737 HG3 GLU 91 3HG GLU 91 12.257 -0.855 9.211 738 HA PRO 92 HA PRO 92 16.444 -0.015 5.047 739 HB2 PRO 92 2HB PRO 92 18.199 0.663 7.004 740 HB3 PRO 92 3HB PRO 92 16.911 1.740 6.454 741 HG2 PRO 92 2HG PRO 92 16.994 -0.038 8.860 742 HG3 PRO 92 3HG PRO 92 16.405 1.629 8.721 743 HD2 PRO 92 2HD PRO 92 14.740 -0.507 8.743 744 HD3 PRO 92 3HD PRO 92 14.383 0.974 7.830 745 H LEU 93 H LEU 93 17.492 -1.663 4.129 746 HA LEU 93 HA LEU 93 18.729 -3.700 5.850 747 HB2 LEU 93 2HB LEU 93 17.016 -4.277 4.019 748 HB3 LEU 93 3HB LEU 93 18.327 -3.946 2.888 749 HG LEU 93 HG LEU 93 19.661 -5.724 3.985 750 HD11 LEU 93 1HD1 LEU 93 17.104 -6.267 5.486 751 HD12 LEU 93 2HD1 LEU 93 18.609 -5.666 6.181 752 HD13 LEU 93 3HD1 LEU 93 18.542 -7.287 5.490 753 HD21 LEU 93 3HD2 LEU 93 18.829 -6.797 2.216 754 HD22 LEU 93 1HD2 LEU 93 17.237 -6.066 2.417 755 HD23 LEU 93 2HD2 LEU 93 17.665 -7.511 3.333 756 H GLY 94 H GLY 94 19.379 -1.217 3.531 757 HA2 GLY 94 2HA GLY 94 22.238 -1.972 3.577 758 HA3 GLY 94 3HA GLY 94 21.466 -1.226 2.185 759 H GLU 95 H GLU 95 23.784 -0.298 3.658 760 HA GLU 95 HA GLU 95 23.020 2.440 3.940 761 HB2 GLU 95 2HB GLU 95 23.456 2.784 6.246 762 HB3 GLU 95 3HB GLU 95 22.351 1.420 6.156 763 HG2 GLU 95 2HG GLU 95 24.620 0.058 6.170 764 HG3 GLU 95 3HG GLU 95 25.194 1.512 6.984 765 H VAL 96 H VAL 96 24.732 3.779 3.633 766 HA VAL 96 HA VAL 96 27.444 2.744 3.939 767 HB VAL 96 HB VAL 96 26.445 3.895 1.330 768 HG11 VAL 96 1HG1 VAL 96 29.181 3.081 2.275 769 HG12 VAL 96 2HG1 VAL 96 28.768 3.230 0.565 770 HG13 VAL 96 3HG1 VAL 96 28.666 4.637 1.624 771 HG21 VAL 96 3HG2 VAL 96 27.043 1.657 0.426 772 HG22 VAL 96 1HG2 VAL 96 27.305 1.105 2.081 773 HG23 VAL 96 2HG2 VAL 96 25.699 1.622 1.567 774 H LYS 97 H LYS 97 29.018 4.333 4.193 775 HA LYS 97 HA LYS 97 28.077 7.117 4.253 776 HB2 LYS 97 2HB LYS 97 29.905 5.998 6.368 777 HB3 LYS 97 3HB LYS 97 29.027 7.522 6.381 778 HG2 LYS 97 2HG LYS 97 27.485 6.504 7.603 779 HG3 LYS 97 3HG LYS 97 27.046 5.595 6.155 780 HD2 LYS 97 2HD LYS 97 27.589 3.753 7.291 781 HD3 LYS 97 3HD LYS 97 29.271 4.266 7.140 782 HE2 LYS 97 2HE LYS 97 27.700 5.478 9.334 783 HE3 LYS 97 3HE LYS 97 28.090 3.766 9.494 784 HZ1 LYS 97 3HZ LYS 97 30.452 4.433 9.013 785 HZ2 LYS 97 1HZ LYS 97 29.838 4.942 10.505 786 HZ3 LYS 97 2HZ LYS 97 29.968 6.040 9.225 787 H GLY 98 H GLY 98 29.201 7.908 2.555 788 HA2 GLY 98 2HA GLY 98 31.572 8.958 2.473 789 HA3 GLY 98 3HA GLY 98 32.064 7.275 2.354 790 HA PRO 99 HA PRO 99 30.827 9.239 -1.837 791 HB2 PRO 99 2HB PRO 99 33.284 9.941 -2.755 792 HB3 PRO 99 3HB PRO 99 32.247 11.046 -1.846 793 HG2 PRO 99 2HG PRO 99 34.558 9.401 -0.891 794 HG3 PRO 99 3HG PRO 99 34.149 11.083 -0.509 795 HD2 PRO 99 2HD PRO 99 33.602 9.033 1.173 796 HD3 PRO 99 3HD PRO 99 32.574 10.476 1.060 797 H ASP 100 H ASP 100 30.354 7.134 -2.471 798 HA ASP 100 HA ASP 100 32.530 5.760 -3.853 799 HB2 ASP 100 2HB ASP 100 31.948 3.592 -2.927 800 HB3 ASP 100 3HB ASP 100 32.348 4.702 -1.618 801 H ILE 101 H ILE 101 30.761 7.226 -5.185 802 HA ILE 101 HA ILE 101 28.316 6.090 -5.890 803 HB ILE 101 HB ILE 101 30.195 7.805 -7.511 804 HG12 ILE 101 2HG1 ILE 101 29.223 8.823 -5.475 805 HG13 ILE 101 3HG1 ILE 101 28.648 9.599 -6.946 806 HG21 ILE 101 1HG2 ILE 101 27.788 8.201 -8.662 807 HG22 ILE 101 2HG2 ILE 101 28.994 7.066 -9.267 808 HG23 ILE 101 3HG2 ILE 101 27.670 6.489 -8.256 809 HD11 ILE 101 3HD1 ILE 101 27.165 7.671 -5.185 810 HD12 ILE 101 1HD1 ILE 101 26.798 9.370 -5.487 811 HD13 ILE 101 2HD1 ILE 101 26.594 8.180 -6.774 812 H ASP 102 H ASP 102 31.554 5.266 -6.852 813 HA ASP 102 HA ASP 102 30.759 3.671 -9.110 814 HB2 ASP 102 2HB ASP 102 33.319 4.289 -7.715 815 HB3 ASP 102 3HB ASP 102 33.248 2.819 -8.683 816 H LYS 103 H LYS 103 31.370 3.154 -5.712 817 HA LYS 103 HA LYS 103 31.315 0.265 -5.973 818 HB2 LYS 103 2HB LYS 103 32.525 1.918 -4.186 819 HB3 LYS 103 3HB LYS 103 31.081 1.469 -3.288 820 HG2 LYS 103 2HG LYS 103 31.647 -0.803 -3.294 821 HG3 LYS 103 3HG LYS 103 32.842 -0.590 -4.575 822 HD2 LYS 103 2HD LYS 103 33.757 1.103 -2.621 823 HD3 LYS 103 3HD LYS 103 33.101 -0.241 -1.684 824 HE2 LYS 103 2HE LYS 103 35.101 -1.190 -2.048 825 HE3 LYS 103 3HE LYS 103 34.451 -1.557 -3.645 826 HZ1 LYS 103 3HZ LYS 103 35.371 0.812 -4.176 827 HZ2 LYS 103 1HZ LYS 103 36.400 -0.531 -4.191 828 HZ3 LYS 103 2HZ LYS 103 36.381 0.505 -2.854 829 H LEU 104 H LEU 104 29.101 2.822 -5.481 830 HA LEU 104 HA LEU 104 27.127 1.641 -3.918 831 HB2 LEU 104 2HB LEU 104 27.122 3.995 -4.588 832 HB3 LEU 104 3HB LEU 104 26.784 3.521 -6.251 833 HG LEU 104 HG LEU 104 24.704 2.371 -4.899 834 HD11 LEU 104 1HD1 LEU 104 25.071 3.320 -2.796 835 HD12 LEU 104 2HD1 LEU 104 23.843 4.351 -3.529 836 HD13 LEU 104 3HD1 LEU 104 25.523 4.882 -3.477 837 HD21 LEU 104 3HD2 LEU 104 24.340 5.176 -5.766 838 HD22 LEU 104 1HD2 LEU 104 23.435 3.725 -6.198 839 HD23 LEU 104 2HD2 LEU 104 24.994 4.050 -6.957 840 H ARG 105 H ARG 105 28.065 1.001 -7.182 841 HA ARG 105 HA ARG 105 25.642 -0.268 -8.003 842 HB2 ARG 105 2HB ARG 105 26.830 -0.921 -9.965 843 HB3 ARG 105 3HB ARG 105 27.378 0.697 -9.548 844 HG2 ARG 105 2HG ARG 105 29.326 -0.441 -8.369 845 HG3 ARG 105 3HG ARG 105 28.828 -1.906 -9.217 846 HD2 ARG 105 2HD ARG 105 28.855 0.031 -11.193 847 HD3 ARG 105 3HD ARG 105 30.259 0.422 -10.200 848 HE ARG 105 HE ARG 105 29.966 -1.809 -11.954 849 HH11 ARG 105 1HH1 ARG 105 31.466 -0.740 -9.000 850 HH12 ARG 105 2HH1 ARG 105 32.775 -1.871 -9.103 851 HH21 ARG 105 2HH2 ARG 105 32.899 -3.327 -10.867 852 HH22 ARG 105 1HH2 ARG 105 31.685 -3.302 -12.100 853 H GLU 106 H GLU 106 28.589 -1.316 -6.430 854 HA GLU 106 HA GLU 106 27.805 -4.118 -6.611 855 HB2 GLU 106 2HB GLU 106 29.964 -4.612 -5.630 856 HB3 GLU 106 3HB GLU 106 30.169 -3.487 -6.965 857 HG2 GLU 106 2HG GLU 106 30.617 -1.692 -5.540 858 HG3 GLU 106 3HG GLU 106 29.964 -2.531 -4.135 859 H THR 107 H THR 107 27.670 -1.470 -4.423 860 HA THR 107 HA THR 107 27.370 -3.075 -2.045 861 HB THR 107 HB THR 107 26.586 -0.180 -2.246 862 HG1 THR 107 HG1 THR 107 29.234 -1.146 -1.825 863 HG21 THR 107 3HG2 THR 107 28.061 -0.765 0.074 864 HG22 THR 107 1HG2 THR 107 26.939 -2.107 -0.144 865 HG23 THR 107 2HG2 THR 107 26.330 -0.454 -0.049 866 H LEU 108 H LEU 108 25.281 -1.505 -4.377 867 HA LEU 108 HA LEU 108 22.894 -1.979 -2.810 868 HB2 LEU 108 2HB LEU 108 21.830 -0.609 -4.254 869 HB3 LEU 108 3HB LEU 108 23.479 -0.086 -4.588 870 HG LEU 108 HG LEU 108 23.296 -1.977 -6.446 871 HD11 LEU 108 1HD1 LEU 108 20.913 -1.626 -7.419 872 HD12 LEU 108 2HD1 LEU 108 20.480 -1.268 -5.748 873 HD13 LEU 108 3HD1 LEU 108 21.175 -2.835 -6.162 874 HD21 LEU 108 3HD2 LEU 108 21.953 0.202 -7.610 875 HD22 LEU 108 1HD2 LEU 108 23.685 -0.133 -7.615 876 HD23 LEU 108 2HD2 LEU 108 22.985 0.868 -6.342 877 H ASP 109 H ASP 109 24.720 -3.573 -5.263 878 HA ASP 109 HA ASP 109 22.615 -5.249 -6.232 879 HB2 ASP 109 2HB ASP 109 24.297 -5.126 -7.795 880 HB3 ASP 109 3HB ASP 109 25.571 -5.103 -6.579 881 H GLU 110 H GLU 110 25.362 -5.770 -4.028 882 HA GLU 110 HA GLU 110 24.896 -8.431 -3.405 883 HB2 GLU 110 2HB GLU 110 25.950 -6.276 -1.565 884 HB3 GLU 110 3HB GLU 110 26.139 -8.007 -1.329 885 HG2 GLU 110 2HG GLU 110 27.111 -6.833 -3.873 886 HG3 GLU 110 3HG GLU 110 28.037 -6.529 -2.404 887 H LEU 111 H LEU 111 23.146 -5.612 -2.459 888 HA LEU 111 HA LEU 111 21.727 -7.047 -0.344 889 HB2 LEU 111 2HB LEU 111 22.269 -4.902 0.370 890 HB3 LEU 111 3HB LEU 111 21.889 -4.183 -1.194 891 HG LEU 111 HG LEU 111 19.652 -5.386 0.346 892 HD11 LEU 111 1HD1 LEU 111 20.306 -4.243 2.186 893 HD12 LEU 111 2HD1 LEU 111 19.544 -2.905 1.327 894 HD13 LEU 111 3HD1 LEU 111 21.295 -3.107 1.268 895 HD21 LEU 111 3HD2 LEU 111 20.091 -3.179 -1.614 896 HD22 LEU 111 1HD2 LEU 111 18.682 -3.131 -0.554 897 HD23 LEU 111 2HD2 LEU 111 18.919 -4.497 -1.644 898 H LEU 112 H LEU 112 21.039 -5.279 -3.351 899 HA LEU 112 HA LEU 112 18.281 -5.785 -3.422 900 HB2 LEU 112 2HB LEU 112 19.611 -4.141 -4.814 901 HB3 LEU 112 3HB LEU 112 20.056 -5.507 -5.835 902 HG LEU 112 HG LEU 112 17.717 -5.847 -6.425 903 HD11 LEU 112 1HD1 LEU 112 16.099 -5.111 -5.105 904 HD12 LEU 112 2HD1 LEU 112 16.521 -3.454 -5.534 905 HD13 LEU 112 3HD1 LEU 112 17.264 -4.217 -4.128 906 HD21 LEU 112 3HD2 LEU 112 19.128 -3.305 -6.914 907 HD22 LEU 112 1HD2 LEU 112 17.414 -3.329 -7.326 908 HD23 LEU 112 2HD2 LEU 112 18.511 -4.503 -8.053 909 H ALA 113 H ALA 113 20.972 -7.822 -4.047 910 HA ALA 113 HA ALA 113 20.019 -9.645 -5.885 911 HB1 ALA 113 1HB ALA 113 21.541 -11.251 -4.915 912 HB2 ALA 113 2HB ALA 113 22.296 -9.657 -4.936 913 HB3 ALA 113 3HB ALA 113 21.643 -10.303 -3.431 914 H ARG 114 H ARG 114 19.114 -9.216 -2.543 915 HA ARG 114 HA ARG 114 17.926 -11.666 -1.991 916 HB2 ARG 114 2HB ARG 114 18.217 -10.046 -0.243 917 HB3 ARG 114 3HB ARG 114 17.189 -8.886 -1.074 918 HG2 ARG 114 2HG ARG 114 15.394 -9.682 -0.057 919 HG3 ARG 114 3HG ARG 114 15.735 -11.311 -0.647 920 HD2 ARG 114 2HD ARG 114 17.221 -11.704 1.234 921 HD3 ARG 114 3HD ARG 114 16.965 -10.055 1.804 922 HE ARG 114 HE ARG 114 15.033 -10.760 2.783 923 HH11 ARG 114 1HH1 ARG 114 15.895 -13.022 0.281 924 HH12 ARG 114 2HH1 ARG 114 14.615 -14.127 0.658 925 HH21 ARG 114 2HH2 ARG 114 13.164 -13.661 2.369 926 HH22 ARG 114 1HH2 ARG 114 13.344 -12.206 3.289 927 H LEU 115 H LEU 115 16.375 -8.732 -3.296 928 HA LEU 115 HA LEU 115 13.986 -10.248 -3.956 929 HB2 LEU 115 2HB LEU 115 14.434 -7.642 -3.214 930 HB3 LEU 115 3HB LEU 115 14.158 -7.508 -4.950 931 HG LEU 115 HG LEU 115 12.112 -7.140 -3.650 932 HD11 LEU 115 1HD1 LEU 115 12.460 -8.876 -5.842 933 HD12 LEU 115 2HD1 LEU 115 11.025 -7.949 -5.402 934 HD13 LEU 115 3HD1 LEU 115 11.229 -9.596 -4.804 935 HD21 LEU 115 3HD2 LEU 115 11.107 -8.834 -2.329 936 HD22 LEU 115 1HD2 LEU 115 12.782 -8.701 -1.791 937 HD23 LEU 115 2HD2 LEU 115 12.296 -10.034 -2.839 938 H GLU 116 H GLU 116 16.109 -8.034 -5.785 939 HA GLU 116 HA GLU 116 15.427 -9.515 -8.225 940 HB2 GLU 116 2HB GLU 116 16.407 -6.731 -7.698 941 HB3 GLU 116 3HB GLU 116 16.654 -7.463 -9.277 942 HG2 GLU 116 2HG GLU 116 13.949 -7.330 -7.991 943 HG3 GLU 116 3HG GLU 116 14.594 -6.012 -8.967 Start of MODEL 13 1 H1 MET 1 H MET 1 -0.365 2.830 -0.375 2 HA MET 1 HA MET 1 1.690 3.391 -1.970 3 HB2 MET 1 2HB MET 1 3.129 1.481 -2.213 4 HB3 MET 1 3HB MET 1 3.107 1.940 -0.516 5 HG2 MET 1 2HG MET 1 1.304 0.157 -0.239 6 HG3 MET 1 3HG MET 1 1.797 -0.408 -1.834 7 HE1 MET 1 3HE MET 1 2.361 -1.689 1.718 8 HE2 MET 1 1HE MET 1 3.850 -0.849 2.155 9 HE3 MET 1 2HE MET 1 2.407 0.075 1.735 10 H ALA 2 H ALA 2 1.744 2.163 -4.070 11 HA ALA 2 HA ALA 2 -0.925 1.035 -4.591 12 HB1 ALA 2 1HB ALA 2 0.348 3.158 -5.807 13 HB2 ALA 2 2HB ALA 2 0.581 1.830 -6.945 14 HB3 ALA 2 3HB ALA 2 -1.046 2.280 -6.436 15 H ARG 3 H ARG 3 -0.864 -0.400 -6.673 16 HA ARG 3 HA ARG 3 1.457 -2.204 -6.538 17 HB2 ARG 3 2HB ARG 3 -0.560 -3.066 -5.274 18 HB3 ARG 3 3HB ARG 3 -1.395 -3.149 -6.820 19 HG2 ARG 3 2HG ARG 3 0.537 -4.623 -7.592 20 HG3 ARG 3 3HG ARG 3 0.967 -4.739 -5.884 21 HD2 ARG 3 2HD ARG 3 -1.512 -5.406 -5.556 22 HD3 ARG 3 3HD ARG 3 -1.486 -5.726 -7.290 23 HE ARG 3 HE ARG 3 -0.239 -7.604 -6.890 24 HH11 ARG 3 1HH1 ARG 3 -0.212 -5.587 -4.053 25 HH12 ARG 3 2HH1 ARG 3 0.572 -6.770 -3.060 26 HH21 ARG 3 2HH2 ARG 3 1.145 -8.808 -3.937 27 HH22 ARG 3 1HH2 ARG 3 0.794 -9.170 -5.593 28 HA PRO 4 HA PRO 4 0.558 -0.914 -10.909 29 HB2 PRO 4 2HB PRO 4 3.147 -0.390 -11.533 30 HB3 PRO 4 3HB PRO 4 2.077 0.806 -10.792 31 HG2 PRO 4 2HG PRO 4 4.148 -0.936 -9.510 32 HG3 PRO 4 3HG PRO 4 3.800 0.780 -9.230 33 HD2 PRO 4 2HD PRO 4 2.924 -1.173 -7.572 34 HD3 PRO 4 3HD PRO 4 2.009 0.322 -7.853 35 H SER 5 H SER 5 0.802 -2.180 -12.708 36 HA SER 5 HA SER 5 1.581 -4.874 -12.353 37 HB2 SER 5 2HB SER 5 0.839 -3.243 -14.775 38 HB3 SER 5 3HB SER 5 1.322 -4.933 -14.913 39 HG SER 5 HG SER 5 -1.054 -4.171 -14.502 40 H ASN 6 H ASN 6 3.263 -2.045 -13.446 41 HA ASN 6 HA ASN 6 5.780 -3.396 -13.351 42 HB2 ASN 6 2HB ASN 6 4.425 -3.272 -15.877 43 HB3 ASN 6 3HB ASN 6 5.868 -2.263 -15.946 44 HD21 ASN 6 2HD2 ASN 6 8.087 -4.907 -16.093 45 HD22 ASN 6 1HD2 ASN 6 7.817 -3.201 -16.093 46 H VAL 7 H VAL 7 7.524 -1.976 -13.264 47 HA VAL 7 HA VAL 7 6.769 0.849 -12.972 48 HB VAL 7 HB VAL 7 9.275 -0.493 -11.956 49 HG11 VAL 7 1HG1 VAL 7 9.222 1.537 -10.420 50 HG12 VAL 7 2HG1 VAL 7 9.652 1.824 -12.107 51 HG13 VAL 7 3HG1 VAL 7 8.030 2.209 -11.531 52 HG21 VAL 7 3HG2 VAL 7 7.672 -1.569 -10.697 53 HG22 VAL 7 1HG2 VAL 7 7.987 -0.142 -9.711 54 HG23 VAL 7 2HG2 VAL 7 6.561 -0.201 -10.746 55 H LYS 8 H LYS 8 8.050 2.493 -13.870 56 HA LYS 8 HA LYS 8 9.846 1.612 -16.035 57 HB2 LYS 8 2HB LYS 8 7.566 3.465 -16.037 58 HB3 LYS 8 3HB LYS 8 9.010 4.107 -16.809 59 HG2 LYS 8 2HG LYS 8 8.758 2.805 -18.597 60 HG3 LYS 8 3HG LYS 8 8.425 1.375 -17.616 61 HD2 LYS 8 2HD LYS 8 6.114 2.071 -17.343 62 HD3 LYS 8 3HD LYS 8 6.434 3.555 -18.243 63 HE2 LYS 8 2HE LYS 8 6.705 2.407 -20.262 64 HE3 LYS 8 3HE LYS 8 6.943 0.859 -19.454 65 HZ1 LYS 8 3HZ LYS 8 4.804 0.569 -20.036 66 HZ2 LYS 8 1HZ LYS 8 4.479 2.225 -20.152 67 HZ3 LYS 8 2HZ LYS 8 4.487 1.469 -18.639 68 HA PRO 9 HA PRO 9 13.034 4.162 -14.430 69 HB2 PRO 9 2HB PRO 9 14.156 5.189 -16.679 70 HB3 PRO 9 3HB PRO 9 14.334 3.496 -16.203 71 HG2 PRO 9 2HG PRO 9 12.467 4.716 -18.199 72 HG3 PRO 9 3HG PRO 9 13.421 3.227 -18.325 73 HD2 PRO 9 2HD PRO 9 10.782 3.219 -17.721 74 HD3 PRO 9 3HD PRO 9 11.910 2.005 -17.085 75 H SER 10 H SER 10 14.108 6.486 -15.054 76 HA SER 10 HA SER 10 13.880 8.745 -14.920 77 HB2 SER 10 2HB SER 10 12.606 8.206 -17.139 78 HB3 SER 10 3HB SER 10 11.166 8.582 -16.193 79 HG SER 10 HG SER 10 13.297 10.252 -16.942 80 HA PRO 11 HA PRO 11 11.102 8.154 -11.242 81 HB2 PRO 11 2HB PRO 11 12.961 8.926 -9.420 82 HB3 PRO 11 3HB PRO 11 12.813 7.261 -9.995 83 HG2 PRO 11 2HG PRO 11 14.727 9.398 -10.850 84 HG3 PRO 11 3HG PRO 11 15.036 7.680 -10.534 85 HD2 PRO 11 2HD PRO 11 14.750 8.673 -13.037 86 HD3 PRO 11 3HD PRO 11 14.243 7.029 -12.598 87 H HIS 12 H HIS 12 11.126 9.895 -9.265 88 HA HIS 12 HA HIS 12 11.418 12.593 -10.354 89 HB2 HIS 12 2HB HIS 12 8.981 11.400 -10.473 90 HB3 HIS 12 3HB HIS 12 8.898 12.145 -8.879 91 HD1 HIS 12 HD1 HIS 12 9.257 14.798 -8.835 92 HD2 HIS 12 HD2 HIS 12 8.593 13.110 -12.573 93 HE1 HIS 12 HE1 HIS 12 8.625 16.715 -10.336 94 H VAL 13 H VAL 13 11.650 14.215 -8.798 95 HA VAL 13 HA VAL 13 12.566 13.255 -6.217 96 HB VAL 13 HB VAL 13 12.590 16.046 -7.373 97 HG11 VAL 13 1HG1 VAL 13 14.556 15.745 -5.392 98 HG12 VAL 13 2HG1 VAL 13 13.097 16.736 -5.323 99 HG13 VAL 13 3HG1 VAL 13 13.070 15.080 -4.716 100 HG21 VAL 13 3HG2 VAL 13 15.009 15.622 -7.678 101 HG22 VAL 13 1HG2 VAL 13 14.750 13.949 -7.184 102 HG23 VAL 13 2HG2 VAL 13 13.997 14.560 -8.657 103 H ILE 14 H ILE 14 11.511 13.456 -4.340 104 HA ILE 14 HA ILE 14 8.787 14.300 -4.319 105 HB ILE 14 HB ILE 14 8.668 13.530 -2.129 106 HG12 ILE 14 2HG1 ILE 14 10.347 14.947 -1.118 107 HG13 ILE 14 3HG1 ILE 14 10.663 13.278 -0.656 108 HG21 ILE 14 1HG2 ILE 14 9.738 11.401 -2.111 109 HG22 ILE 14 2HG2 ILE 14 9.361 11.788 -3.789 110 HG23 ILE 14 3HG2 ILE 14 11.011 11.967 -3.193 111 HD11 ILE 14 3HD1 ILE 14 12.396 13.161 -2.403 112 HD12 ILE 14 1HD1 ILE 14 12.113 14.865 -2.759 113 HD13 ILE 14 2HD1 ILE 14 12.729 14.385 -1.178 114 H LYS 15 H LYS 15 8.119 15.711 -2.292 115 HA LYS 15 HA LYS 15 9.849 17.903 -1.667 116 HB2 LYS 15 2HB LYS 15 8.623 18.179 -4.082 117 HB3 LYS 15 3HB LYS 15 7.436 18.926 -3.020 118 HG2 LYS 15 2HG LYS 15 10.170 19.789 -2.487 119 HG3 LYS 15 3HG LYS 15 9.610 20.172 -4.117 120 HD2 LYS 15 2HD LYS 15 7.458 20.970 -2.806 121 HD3 LYS 15 3HD LYS 15 8.613 21.136 -1.482 122 HE2 LYS 15 2HE LYS 15 8.759 23.218 -2.432 123 HE3 LYS 15 3HE LYS 15 10.037 22.376 -3.306 124 HZ1 LYS 15 3HZ LYS 15 7.335 23.103 -4.251 125 HZ2 LYS 15 1HZ LYS 15 8.230 21.886 -5.014 126 HZ3 LYS 15 2HZ LYS 15 8.833 23.464 -4.950 127 H SER 16 H SER 16 8.324 15.973 -0.218 128 HA SER 16 HA SER 16 7.005 17.720 1.622 129 HB2 SER 16 2HB SER 16 5.412 16.342 -0.383 130 HB3 SER 16 3HB SER 16 4.942 15.880 1.253 131 HG SER 16 HG SER 16 4.717 18.111 1.726 132 H LEU 17 H LEU 17 6.224 16.554 3.547 133 HA LEU 17 HA LEU 17 8.093 14.596 4.373 134 HB2 LEU 17 2HB LEU 17 6.533 16.339 5.675 135 HB3 LEU 17 3HB LEU 17 5.555 14.885 5.867 136 HG LEU 17 HG LEU 17 7.622 13.786 6.837 137 HD11 LEU 17 1HD1 LEU 17 9.021 15.807 5.875 138 HD12 LEU 17 2HD1 LEU 17 9.499 14.972 7.353 139 HD13 LEU 17 3HD1 LEU 17 8.640 16.509 7.447 140 HD21 LEU 17 3HD2 LEU 17 6.440 16.150 8.292 141 HD22 LEU 17 1HD2 LEU 17 7.283 14.792 9.038 142 HD23 LEU 17 2HD2 LEU 17 5.748 14.529 8.211 143 H GLU 18 H GLU 18 4.571 14.378 3.848 144 HA GLU 18 HA GLU 18 4.232 11.682 4.312 145 HB2 GLU 18 2HB GLU 18 2.298 11.842 2.710 146 HB3 GLU 18 3HB GLU 18 2.310 13.052 3.985 147 HG2 GLU 18 2HG GLU 18 3.353 14.634 2.348 148 HG3 GLU 18 3HG GLU 18 3.060 13.425 1.099 149 H GLU 19 H GLU 19 5.071 13.266 1.242 150 HA GLU 19 HA GLU 19 5.124 11.036 -0.400 151 HB2 GLU 19 2HB GLU 19 5.594 13.636 -0.813 152 HB3 GLU 19 3HB GLU 19 7.258 13.070 -0.784 153 HG2 GLU 19 2HG GLU 19 6.757 12.939 -3.017 154 HG3 GLU 19 3HG GLU 19 6.410 11.297 -2.478 155 H LEU 20 H LEU 20 7.572 12.238 1.826 156 HA LEU 20 HA LEU 20 9.618 10.435 1.006 157 HB2 LEU 20 2HB LEU 20 9.611 12.667 2.483 158 HB3 LEU 20 3HB LEU 20 9.604 11.472 3.778 159 HG LEU 20 HG LEU 20 11.652 10.465 2.645 160 HD11 LEU 20 1HD1 LEU 20 11.834 13.171 1.348 161 HD12 LEU 20 2HD1 LEU 20 11.244 11.740 0.504 162 HD13 LEU 20 3HD1 LEU 20 12.893 11.778 1.127 163 HD21 LEU 20 3HD2 LEU 20 11.990 13.267 3.695 164 HD22 LEU 20 1HD2 LEU 20 13.129 11.925 3.802 165 HD23 LEU 20 2HD2 LEU 20 11.624 11.879 4.721 166 H ARG 21 H ARG 21 7.809 10.544 4.082 167 HA ARG 21 HA ARG 21 8.536 8.067 5.044 168 HB2 ARG 21 2HB ARG 21 6.625 10.062 5.706 169 HB3 ARG 21 3HB ARG 21 5.796 8.511 5.724 170 HG2 ARG 21 2HG ARG 21 7.797 7.721 7.153 171 HG3 ARG 21 3HG ARG 21 8.088 9.444 7.399 172 HD2 ARG 21 2HD ARG 21 5.322 8.452 7.798 173 HD3 ARG 21 3HD ARG 21 6.524 8.006 9.007 174 HE ARG 21 HE ARG 21 6.630 10.785 8.448 175 HH11 ARG 21 1HH1 ARG 21 4.767 8.375 10.134 176 HH12 ARG 21 2HH1 ARG 21 4.160 9.485 11.318 177 HH21 ARG 21 2HH2 ARG 21 4.769 11.692 11.241 178 HH22 ARG 21 1HH2 ARG 21 5.838 12.256 10.001 179 H GLU 22 H GLU 22 6.185 8.864 2.595 180 HA GLU 22 HA GLU 22 4.869 6.336 2.568 181 HB2 GLU 22 2HB GLU 22 3.774 8.322 1.682 182 HB3 GLU 22 3HB GLU 22 5.031 8.502 0.466 183 HG2 GLU 22 2HG GLU 22 4.355 6.358 -0.524 184 HG3 GLU 22 3HG GLU 22 3.063 6.234 0.669 185 H ALA 23 H ALA 23 7.313 7.814 0.441 186 HA ALA 23 HA ALA 23 7.678 5.647 -1.274 187 HB1 ALA 23 1HB ALA 23 10.179 6.888 -1.015 188 HB2 ALA 23 2HB ALA 23 8.943 7.197 -2.234 189 HB3 ALA 23 3HB ALA 23 8.976 8.150 -0.751 190 H THR 24 H THR 24 8.738 6.134 1.979 191 HA THR 24 HA THR 24 10.826 4.157 1.906 192 HB THR 24 HB THR 24 10.215 4.448 4.566 193 HG1 THR 24 HG1 THR 24 8.883 6.102 4.642 194 HG21 THR 24 3HG2 THR 24 12.434 4.660 3.601 195 HG22 THR 24 1HG2 THR 24 12.083 6.064 4.609 196 HG23 THR 24 2HG2 THR 24 11.988 6.193 2.853 197 H ALA 25 H ALA 25 7.420 4.148 2.344 198 HA ALA 25 HA ALA 25 7.493 1.436 3.475 199 HB1 ALA 25 1HB ALA 25 6.155 3.147 4.674 200 HB2 ALA 25 2HB ALA 25 5.125 3.287 3.248 201 HB3 ALA 25 3HB ALA 25 5.205 1.763 4.132 202 H SER 26 H SER 26 7.740 2.566 0.564 203 HA SER 26 HA SER 26 5.519 1.481 -0.846 204 HB2 SER 26 2HB SER 26 8.271 2.381 -1.680 205 HB3 SER 26 3HB SER 26 7.147 1.664 -2.833 206 HG SER 26 HG SER 26 7.191 4.091 -2.455 207 H ASN 27 H ASN 27 5.837 -0.250 -2.548 208 HA ASN 27 HA ASN 27 7.030 -2.580 -1.250 209 HB2 ASN 27 2HB ASN 27 5.632 -3.918 -2.638 210 HB3 ASN 27 3HB ASN 27 4.636 -2.575 -2.087 211 HD21 ASN 27 2HD2 ASN 27 4.319 -1.090 -5.264 212 HD22 ASN 27 1HD2 ASN 27 4.319 -0.791 -3.562 213 H ARG 28 H ARG 28 8.801 -0.696 -2.428 214 HA ARG 28 HA ARG 28 10.088 -2.443 -4.386 215 HB2 ARG 28 2HB ARG 28 8.729 -0.206 -5.223 216 HB3 ARG 28 3HB ARG 28 10.370 0.400 -5.043 217 HG2 ARG 28 2HG ARG 28 10.176 -0.304 -7.277 218 HG3 ARG 28 3HG ARG 28 11.113 -1.555 -6.457 219 HD2 ARG 28 2HD ARG 28 9.247 -3.014 -6.361 220 HD3 ARG 28 3HD ARG 28 8.135 -1.732 -6.841 221 HE ARG 28 HE ARG 28 8.653 -2.162 -9.024 222 HH11 ARG 28 1HH1 ARG 28 11.109 -3.556 -6.988 223 HH12 ARG 28 2HH1 ARG 28 11.914 -4.365 -8.292 224 HH21 ARG 28 2HH2 ARG 28 11.114 -4.175 -10.430 225 HH22 ARG 28 1HH2 ARG 28 9.703 -3.223 -10.748 226 H ILE 29 H ILE 29 12.270 -0.946 -5.009 227 HA ILE 29 HA ILE 29 13.495 -0.351 -2.395 228 HB ILE 29 HB ILE 29 14.949 -1.612 -4.717 229 HG12 ILE 29 2HG1 ILE 29 14.892 -3.576 -2.885 230 HG13 ILE 29 3HG1 ILE 29 13.348 -2.814 -2.521 231 HG21 ILE 29 1HG2 ILE 29 16.413 -2.226 -2.583 232 HG22 ILE 29 2HG2 ILE 29 16.621 -0.715 -3.468 233 HG23 ILE 29 3HG2 ILE 29 15.676 -0.742 -1.979 234 HD11 ILE 29 3HD1 ILE 29 12.400 -3.762 -4.279 235 HD12 ILE 29 1HD1 ILE 29 13.662 -3.165 -5.356 236 HD13 ILE 29 2HD1 ILE 29 13.882 -4.691 -4.500 237 H SER 30 H SER 30 13.836 1.772 -2.333 238 HA SER 30 HA SER 30 14.902 3.087 -4.746 239 HB2 SER 30 2HB SER 30 13.358 4.419 -2.512 240 HB3 SER 30 3HB SER 30 13.832 5.132 -4.053 241 HG SER 30 HG SER 30 12.266 2.811 -4.066 242 H VAL 31 H VAL 31 16.456 4.779 -4.424 243 HA VAL 31 HA VAL 31 18.078 4.350 -2.007 244 HB VAL 31 HB VAL 31 19.395 3.824 -3.885 245 HG11 VAL 31 1HG1 VAL 31 18.398 6.373 -5.153 246 HG12 VAL 31 2HG1 VAL 31 19.619 5.303 -5.844 247 HG13 VAL 31 3HG1 VAL 31 17.967 4.728 -5.620 248 HG21 VAL 31 3HG2 VAL 31 21.169 5.427 -3.821 249 HG22 VAL 31 1HG2 VAL 31 20.066 6.705 -3.308 250 HG23 VAL 31 2HG2 VAL 31 20.437 5.369 -2.218 251 H ILE 32 H ILE 32 17.354 5.827 -0.557 252 HA ILE 32 HA ILE 32 16.645 8.503 -1.285 253 HB ILE 32 HB ILE 32 17.165 7.350 1.458 254 HG12 ILE 32 2HG1 ILE 32 14.402 7.875 0.854 255 HG13 ILE 32 3HG1 ILE 32 15.084 6.820 -0.378 256 HG21 ILE 32 1HG2 ILE 32 17.121 9.518 2.033 257 HG22 ILE 32 2HG2 ILE 32 16.407 10.012 0.499 258 HG23 ILE 32 3HG2 ILE 32 15.381 9.376 1.784 259 HD11 ILE 32 3HD1 ILE 32 15.688 5.193 1.233 260 HD12 ILE 32 1HD1 ILE 32 15.329 6.289 2.568 261 HD13 ILE 32 2HD1 ILE 32 14.020 5.662 1.564 262 H VAL 33 H VAL 33 18.007 10.108 -1.670 263 HA VAL 33 HA VAL 33 20.692 10.003 -0.459 264 HB VAL 33 HB VAL 33 19.923 11.520 -2.952 265 HG11 VAL 33 1HG1 VAL 33 22.566 10.819 -1.686 266 HG12 VAL 33 2HG1 VAL 33 22.396 11.490 -3.309 267 HG13 VAL 33 3HG1 VAL 33 21.874 12.425 -1.907 268 HG21 VAL 33 3HG2 VAL 33 20.479 8.686 -2.569 269 HG22 VAL 33 1HG2 VAL 33 19.804 9.531 -3.963 270 HG23 VAL 33 2HG2 VAL 33 21.552 9.447 -3.744 271 H PHE 34 H PHE 34 21.223 11.549 0.937 272 HA PHE 34 HA PHE 34 19.425 13.845 1.224 273 HB2 PHE 34 2HB PHE 34 19.670 12.681 3.278 274 HB3 PHE 34 3HB PHE 34 21.416 12.558 3.086 275 HD1 PHE 34 HD1 PHE 34 19.408 15.602 2.518 276 HD2 PHE 34 HD2 PHE 34 22.088 13.554 5.114 277 HE1 PHE 34 HE1 PHE 34 19.693 17.657 3.839 278 HE2 PHE 34 HE2 PHE 34 22.376 15.606 6.441 279 HZ PHE 34 HZ PHE 34 21.177 17.661 5.805 280 H THR 35 H THR 35 20.021 15.784 0.536 281 HA THR 35 HA THR 35 22.711 16.743 0.758 282 HB THR 35 HB THR 35 22.828 15.354 -1.329 283 HG1 THR 35 HG1 THR 35 24.336 16.799 -1.652 284 HG21 THR 35 3HG2 THR 35 20.573 15.739 -2.168 285 HG22 THR 35 1HG2 THR 35 21.765 16.254 -3.359 286 HG23 THR 35 2HG2 THR 35 20.925 17.454 -2.376 287 H HIS 36 H HIS 36 22.881 18.980 0.420 288 HA HIS 36 HA HIS 36 20.414 20.414 0.742 289 HB2 HIS 36 2HB HIS 36 23.212 21.512 0.405 290 HB3 HIS 36 3HB HIS 36 21.813 22.380 1.030 291 HD1 HIS 36 HD1 HIS 36 24.582 21.773 2.546 292 HD2 HIS 36 HD2 HIS 36 20.937 19.866 3.128 293 HE1 HIS 36 HE1 HIS 36 24.685 20.820 4.871 294 HA PRO 37 HA PRO 37 19.688 21.297 -3.522 295 HB2 PRO 37 2HB PRO 37 17.932 23.340 -3.186 296 HB3 PRO 37 3HB PRO 37 17.501 21.648 -2.910 297 HG2 PRO 37 2HG PRO 37 18.258 23.758 -0.926 298 HG3 PRO 37 3HG PRO 37 16.967 22.547 -0.833 299 HD2 PRO 37 2HD PRO 37 19.334 22.253 0.448 300 HD3 PRO 37 3HD PRO 37 18.411 20.873 -0.181 301 H ASP 38 H ASP 38 20.565 23.858 -1.258 302 HA ASP 38 HA ASP 38 21.709 25.390 -3.499 303 HB2 ASP 38 2HB ASP 38 20.058 26.705 -2.363 304 HB3 ASP 38 3HB ASP 38 20.731 26.292 -0.788 305 H SER 39 H SER 39 23.571 23.956 -3.417 306 HA SER 39 HA SER 39 25.607 25.007 -1.652 307 HB2 SER 39 2HB SER 39 24.539 23.102 -0.386 308 HB3 SER 39 3HB SER 39 25.105 22.025 -1.662 309 HG SER 39 HG SER 39 26.496 23.214 0.385 310 H LYS 40 H LYS 40 26.692 25.728 -3.449 311 HA LYS 40 HA LYS 40 27.170 24.173 -5.765 312 HB2 LYS 40 2HB LYS 40 27.280 26.662 -5.672 313 HB3 LYS 40 3HB LYS 40 28.768 26.529 -4.744 314 HG2 LYS 40 2HG LYS 40 29.734 25.250 -6.682 315 HG3 LYS 40 3HG LYS 40 28.294 25.707 -7.596 316 HD2 LYS 40 2HD LYS 40 29.681 27.422 -8.191 317 HD3 LYS 40 3HD LYS 40 28.960 28.121 -6.739 318 HE2 LYS 40 2HE LYS 40 31.331 26.474 -6.241 319 HE3 LYS 40 3HE LYS 40 31.638 27.906 -7.221 320 HZ1 LYS 40 3HZ LYS 40 31.507 29.168 -5.423 321 HZ2 LYS 40 1HZ LYS 40 31.362 27.778 -4.470 322 HZ3 LYS 40 2HZ LYS 40 29.975 28.566 -5.033 323 H ARG 41 H ARG 41 29.204 24.946 -2.953 324 HA ARG 41 HA ARG 41 31.510 23.604 -3.738 325 HB2 ARG 41 2HB ARG 41 30.413 24.671 -1.259 326 HB3 ARG 41 3HB ARG 41 31.397 23.239 -0.988 327 HG2 ARG 41 2HG ARG 41 33.039 24.552 -2.622 328 HG3 ARG 41 3HG ARG 41 32.176 25.929 -1.934 329 HD2 ARG 41 2HD ARG 41 32.658 24.620 0.321 330 HD3 ARG 41 3HD ARG 41 33.994 23.974 -0.632 331 HE ARG 41 HE ARG 41 33.866 26.802 -0.837 332 HH11 ARG 41 1HH1 ARG 41 34.826 24.223 1.295 333 HH12 ARG 41 2HH1 ARG 41 36.027 25.169 2.111 334 HH21 ARG 41 2HH2 ARG 41 36.378 27.350 1.504 335 HH22 ARG 41 1HH2 ARG 41 35.445 28.057 0.228 336 H SER 42 H SER 42 28.488 22.368 -2.592 337 HA SER 42 HA SER 42 29.611 19.645 -2.652 338 HB2 SER 42 2HB SER 42 27.893 20.964 -0.633 339 HB3 SER 42 3HB SER 42 27.444 19.314 -1.066 340 HG SER 42 HG SER 42 29.420 18.601 -0.400 341 H LYS 43 H LYS 43 28.995 19.866 -4.959 342 HA LYS 43 HA LYS 43 26.312 18.813 -5.344 343 HB2 LYS 43 2HB LYS 43 25.680 20.377 -7.042 344 HB3 LYS 43 3HB LYS 43 26.150 21.299 -5.620 345 HG2 LYS 43 2HG LYS 43 27.530 22.465 -6.894 346 HG3 LYS 43 3HG LYS 43 28.480 21.000 -7.150 347 HD2 LYS 43 2HD LYS 43 26.542 20.558 -8.934 348 HD3 LYS 43 3HD LYS 43 26.503 22.323 -8.918 349 HE2 LYS 43 2HE LYS 43 28.008 21.615 -10.642 350 HE3 LYS 43 3HE LYS 43 28.956 22.317 -9.332 351 HZ1 LYS 43 3HZ LYS 43 28.511 19.402 -9.664 352 HZ2 LYS 43 1HZ LYS 43 29.575 20.159 -8.588 353 HZ3 LYS 43 2HZ LYS 43 29.871 20.218 -10.252 354 H GLU 44 H GLU 44 29.287 18.113 -5.623 355 HA GLU 44 HA GLU 44 29.564 17.577 -8.450 356 HB2 GLU 44 2HB GLU 44 31.277 16.712 -6.113 357 HB3 GLU 44 3HB GLU 44 31.692 16.515 -7.810 358 HG2 GLU 44 2HG GLU 44 31.023 19.260 -7.105 359 HG3 GLU 44 3HG GLU 44 32.404 18.622 -6.213 360 H ILE 45 H ILE 45 28.948 15.738 -5.494 361 HA ILE 45 HA ILE 45 28.988 13.174 -6.664 362 HB ILE 45 HB ILE 45 27.688 12.454 -4.677 363 HG12 ILE 45 2HG1 ILE 45 27.551 14.422 -2.909 364 HG13 ILE 45 3HG1 ILE 45 27.434 15.414 -4.358 365 HG21 ILE 45 1HG2 ILE 45 30.255 13.039 -4.799 366 HG22 ILE 45 2HG2 ILE 45 29.794 14.271 -3.626 367 HG23 ILE 45 3HG2 ILE 45 29.494 12.569 -3.279 368 HD11 ILE 45 3HD1 ILE 45 25.391 14.554 -4.943 369 HD12 ILE 45 1HD1 ILE 45 25.651 13.048 -4.063 370 HD13 ILE 45 2HD1 ILE 45 25.289 14.533 -3.182 371 H LYS 46 H LYS 46 26.770 15.716 -6.955 372 HA LYS 46 HA LYS 46 24.360 14.260 -7.268 373 HB2 LYS 46 2HB LYS 46 25.132 16.936 -8.446 374 HB3 LYS 46 3HB LYS 46 23.497 16.299 -8.323 375 HG2 LYS 46 2HG LYS 46 24.611 16.207 -5.735 376 HG3 LYS 46 3HG LYS 46 24.992 17.792 -6.413 377 HD2 LYS 46 2HD LYS 46 22.398 17.520 -7.158 378 HD3 LYS 46 3HD LYS 46 22.401 16.637 -5.630 379 HE2 LYS 46 2HE LYS 46 23.823 18.848 -4.959 380 HE3 LYS 46 3HE LYS 46 22.717 19.512 -6.161 381 HZ1 LYS 46 3HZ LYS 46 21.169 17.908 -4.554 382 HZ2 LYS 46 1HZ LYS 46 21.216 19.600 -4.551 383 HZ3 LYS 46 2HZ LYS 46 22.192 18.725 -3.482 384 H GLU 47 H GLU 47 26.557 15.677 -9.696 385 HA GLU 47 HA GLU 47 25.268 14.612 -11.942 386 HB2 GLU 47 2HB GLU 47 26.867 16.409 -12.167 387 HB3 GLU 47 3HB GLU 47 28.156 15.396 -11.533 388 HG2 GLU 47 2HG GLU 47 28.272 14.115 -13.474 389 HG3 GLU 47 3HG GLU 47 26.684 14.643 -14.027 390 H LYS 48 H LYS 48 28.048 13.385 -10.099 391 HA LYS 48 HA LYS 48 28.639 11.141 -11.595 392 HB2 LYS 48 2HB LYS 48 28.728 11.400 -8.583 393 HB3 LYS 48 3HB LYS 48 29.579 10.188 -9.531 394 HG2 LYS 48 2HG LYS 48 30.619 12.258 -10.725 395 HG3 LYS 48 3HG LYS 48 30.122 13.106 -9.259 396 HD2 LYS 48 2HD LYS 48 32.068 12.420 -8.396 397 HD3 LYS 48 3HD LYS 48 31.313 10.829 -8.278 398 HE2 LYS 48 2HE LYS 48 32.186 10.994 -10.910 399 HE3 LYS 48 3HE LYS 48 33.482 11.733 -9.972 400 HZ1 LYS 48 3HZ LYS 48 33.320 9.692 -8.509 401 HZ2 LYS 48 1HZ LYS 48 33.983 9.465 -10.049 402 HZ3 LYS 48 2HZ LYS 48 32.389 8.995 -9.738 403 H LEU 49 H LEU 49 26.155 11.561 -9.121 404 HA LEU 49 HA LEU 49 25.319 8.809 -9.241 405 HB2 LEU 49 2HB LEU 49 25.143 10.270 -7.214 406 HB3 LEU 49 3HB LEU 49 23.857 11.151 -8.037 407 HG LEU 49 HG LEU 49 22.603 8.956 -8.152 408 HD11 LEU 49 1HD1 LEU 49 23.423 7.072 -7.281 409 HD12 LEU 49 2HD1 LEU 49 24.041 7.895 -5.849 410 HD13 LEU 49 3HD1 LEU 49 24.990 7.880 -7.335 411 HD21 LEU 49 3HD2 LEU 49 22.082 9.056 -5.630 412 HD22 LEU 49 1HD2 LEU 49 21.780 10.490 -6.611 413 HD23 LEU 49 2HD2 LEU 49 23.223 10.401 -5.601 414 H LYS 50 H LYS 50 24.370 11.841 -10.698 415 HA LYS 50 HA LYS 50 21.839 11.087 -11.661 416 HB2 LYS 50 2HB LYS 50 23.609 13.315 -11.922 417 HB3 LYS 50 3HB LYS 50 23.054 12.856 -13.526 418 HG2 LYS 50 2HG LYS 50 21.374 14.266 -12.989 419 HG3 LYS 50 3HG LYS 50 20.712 12.802 -12.260 420 HD2 LYS 50 2HD LYS 50 21.501 13.450 -10.090 421 HD3 LYS 50 3HD LYS 50 22.391 14.815 -10.769 422 HE2 LYS 50 2HE LYS 50 20.250 15.454 -9.682 423 HE3 LYS 50 3HE LYS 50 20.351 15.919 -11.379 424 HZ1 LYS 50 3HZ LYS 50 18.587 14.685 -11.856 425 HZ2 LYS 50 1HZ LYS 50 18.342 14.479 -10.195 426 HZ3 LYS 50 2HZ LYS 50 19.216 13.326 -11.070 427 H LYS 51 H LYS 51 25.077 10.734 -13.020 428 HA LYS 51 HA LYS 51 24.203 9.720 -15.536 429 HB2 LYS 51 2HB LYS 51 26.428 10.777 -15.138 430 HB3 LYS 51 3HB LYS 51 26.892 9.364 -14.200 431 HG2 LYS 51 2HG LYS 51 26.025 8.267 -16.564 432 HG3 LYS 51 3HG LYS 51 26.820 9.756 -17.081 433 HD2 LYS 51 2HD LYS 51 28.843 9.128 -15.918 434 HD3 LYS 51 3HD LYS 51 28.053 7.697 -15.252 435 HE2 LYS 51 2HE LYS 51 27.656 7.472 -17.983 436 HE3 LYS 51 3HE LYS 51 29.296 8.103 -17.845 437 HZ1 LYS 51 3HZ LYS 51 28.336 5.487 -17.313 438 HZ2 LYS 51 1HZ LYS 51 29.098 6.123 -15.943 439 HZ3 LYS 51 2HZ LYS 51 29.932 6.039 -17.412 440 H LEU 52 H LEU 52 25.083 8.273 -12.460 441 HA LEU 52 HA LEU 52 25.386 5.621 -13.206 442 HB2 LEU 52 2HB LEU 52 25.888 6.364 -10.977 443 HB3 LEU 52 3HB LEU 52 24.203 6.798 -10.698 444 HG LEU 52 HG LEU 52 24.702 3.965 -11.353 445 HD11 LEU 52 1HD1 LEU 52 25.703 5.235 -8.815 446 HD12 LEU 52 2HD1 LEU 52 26.605 4.248 -9.964 447 HD13 LEU 52 3HD1 LEU 52 25.348 3.514 -8.969 448 HD21 LEU 52 3HD2 LEU 52 23.087 5.369 -9.226 449 HD22 LEU 52 1HD2 LEU 52 23.035 3.646 -9.601 450 HD23 LEU 52 2HD2 LEU 52 22.484 4.825 -10.792 451 H ALA 53 H ALA 53 22.521 7.554 -13.032 452 HA ALA 53 HA ALA 53 20.537 5.636 -12.734 453 HB1 ALA 53 1HB ALA 53 20.123 7.870 -14.662 454 HB2 ALA 53 2HB ALA 53 19.047 7.243 -13.413 455 HB3 ALA 53 3HB ALA 53 20.428 8.245 -12.966 456 H GLU 54 H GLU 54 22.612 6.282 -15.432 457 HA GLU 54 HA GLU 54 20.978 4.808 -17.315 458 HB2 GLU 54 2HB GLU 54 23.826 5.691 -17.738 459 HB3 GLU 54 3HB GLU 54 22.596 5.375 -18.952 460 HG2 GLU 54 2HG GLU 54 21.454 7.366 -17.465 461 HG3 GLU 54 3HG GLU 54 23.162 7.800 -17.443 462 H GLU 55 H GLU 55 23.582 4.200 -15.130 463 HA GLU 55 HA GLU 55 24.586 1.845 -16.373 464 HB2 GLU 55 2HB GLU 55 26.133 2.678 -14.900 465 HB3 GLU 55 3HB GLU 55 24.914 3.184 -13.738 466 HG2 GLU 55 2HG GLU 55 26.331 1.360 -12.907 467 HG3 GLU 55 3HG GLU 55 24.625 0.923 -12.978 468 H PHE 56 H PHE 56 22.333 2.407 -13.683 469 HA PHE 56 HA PHE 56 21.099 -0.179 -14.235 470 HB2 PHE 56 2HB PHE 56 22.849 -0.463 -12.424 471 HB3 PHE 56 3HB PHE 56 21.866 0.595 -11.419 472 HD1 PHE 56 HD1 PHE 56 20.598 -0.491 -9.860 473 HD2 PHE 56 HD2 PHE 56 21.278 -2.365 -13.621 474 HE1 PHE 56 HE1 PHE 56 19.259 -2.424 -9.136 475 HE2 PHE 56 HE2 PHE 56 19.939 -4.300 -12.903 476 HZ PHE 56 HZ PHE 56 18.926 -4.331 -10.659 477 HA PRO 57 HA PRO 57 18.083 3.262 -13.453 478 HB2 PRO 57 2HB PRO 57 16.536 2.710 -15.614 479 HB3 PRO 57 3HB PRO 57 17.957 3.757 -15.693 480 HG2 PRO 57 2HG PRO 57 17.686 0.874 -16.449 481 HG3 PRO 57 3HG PRO 57 18.527 2.180 -17.304 482 HD2 PRO 57 2HD PRO 57 19.829 0.368 -15.770 483 HD3 PRO 57 3HD PRO 57 20.383 2.046 -15.943 484 H ASP 58 H ASP 58 18.074 -0.116 -13.577 485 HA ASP 58 HA ASP 58 15.386 -0.799 -13.392 486 HB2 ASP 58 2HB ASP 58 16.644 -2.696 -13.526 487 HB3 ASP 58 3HB ASP 58 17.943 -2.031 -12.539 488 H VAL 59 H VAL 59 17.439 0.779 -11.106 489 HA VAL 59 HA VAL 59 15.453 0.426 -8.970 490 HB VAL 59 HB VAL 59 17.911 -0.045 -8.534 491 HG11 VAL 59 1HG1 VAL 59 18.792 1.885 -9.780 492 HG12 VAL 59 2HG1 VAL 59 18.083 2.966 -8.580 493 HG13 VAL 59 3HG1 VAL 59 19.365 1.849 -8.113 494 HG21 VAL 59 3HG2 VAL 59 17.812 0.799 -6.304 495 HG22 VAL 59 1HG2 VAL 59 16.692 2.077 -6.777 496 HG23 VAL 59 2HG2 VAL 59 16.166 0.394 -6.790 497 H ASP 60 H ASP 60 14.877 2.305 -7.672 498 HA ASP 60 HA ASP 60 14.478 4.646 -9.367 499 HB2 ASP 60 2HB ASP 60 12.450 4.048 -8.393 500 HB3 ASP 60 3HB ASP 60 13.199 3.619 -6.858 501 H ILE 61 H ILE 61 15.818 6.309 -9.243 502 HA ILE 61 HA ILE 61 17.205 6.814 -6.691 503 HB ILE 61 HB ILE 61 18.175 7.427 -9.485 504 HG12 ILE 61 2HG1 ILE 61 20.002 5.800 -8.109 505 HG13 ILE 61 3HG1 ILE 61 18.420 5.104 -7.779 506 HG21 ILE 61 1HG2 ILE 61 19.112 9.124 -8.252 507 HG22 ILE 61 2HG2 ILE 61 19.178 8.162 -6.776 508 HG23 ILE 61 3HG2 ILE 61 20.335 7.866 -8.074 509 HD11 ILE 61 3HD1 ILE 61 19.067 5.821 -10.582 510 HD12 ILE 61 1HD1 ILE 61 19.843 4.402 -9.879 511 HD13 ILE 61 2HD1 ILE 61 18.083 4.504 -9.945 512 H TYR 62 H TYR 62 16.222 8.460 -5.708 513 HA TYR 62 HA TYR 62 15.710 10.894 -7.277 514 HB2 TYR 62 2HB TYR 62 13.618 11.266 -6.208 515 HB3 TYR 62 3HB TYR 62 13.598 9.594 -6.757 516 HD1 TYR 62 HD1 TYR 62 14.286 7.803 -5.002 517 HD2 TYR 62 HD2 TYR 62 13.082 11.759 -4.002 518 HE1 TYR 62 HE1 TYR 62 13.751 7.057 -2.720 519 HE2 TYR 62 HE2 TYR 62 12.545 11.025 -1.717 520 HH TYR 62 HH TYR 62 12.161 7.880 -0.841 521 H LEU 63 H LEU 63 16.146 12.823 -6.262 522 HA LEU 63 HA LEU 63 17.866 12.653 -3.939 523 HB2 LEU 63 2HB LEU 63 17.024 15.025 -5.600 524 HB3 LEU 63 3HB LEU 63 18.249 15.047 -4.332 525 HG LEU 63 HG LEU 63 18.779 13.070 -6.415 526 HD11 LEU 63 1HD1 LEU 63 19.197 15.883 -7.291 527 HD12 LEU 63 2HD1 LEU 63 17.620 15.136 -7.546 528 HD13 LEU 63 3HD1 LEU 63 19.065 14.408 -8.249 529 HD21 LEU 63 3HD2 LEU 63 20.983 14.326 -6.354 530 HD22 LEU 63 1HD2 LEU 63 20.478 13.545 -4.855 531 HD23 LEU 63 2HD2 LEU 63 20.283 15.287 -5.051 532 H VAL 64 H VAL 64 17.562 13.828 -2.004 533 HA VAL 64 HA VAL 64 14.803 14.723 -1.499 534 HB VAL 64 HB VAL 64 16.482 13.153 0.460 535 HG11 VAL 64 1HG1 VAL 64 14.481 13.084 1.814 536 HG12 VAL 64 2HG1 VAL 64 14.892 14.761 1.452 537 HG13 VAL 64 3HG1 VAL 64 13.580 13.965 0.582 538 HG21 VAL 64 3HG2 VAL 64 15.781 11.746 -1.413 539 HG22 VAL 64 1HG2 VAL 64 14.930 11.307 0.068 540 HG23 VAL 64 2HG2 VAL 64 14.109 12.253 -1.173 541 H ASP 65 H ASP 65 14.577 16.554 -0.315 542 HA ASP 65 HA ASP 65 17.060 17.846 0.606 543 HB2 ASP 65 2HB ASP 65 15.398 19.936 0.398 544 HB3 ASP 65 3HB ASP 65 16.360 19.353 -0.958 545 H THR 66 H THR 66 17.263 18.176 2.714 546 HA THR 66 HA THR 66 15.476 17.303 4.634 547 HB THR 66 HB THR 66 16.783 19.195 6.048 548 HG1 THR 66 HG1 THR 66 18.772 19.594 5.109 549 HG21 THR 66 3HG2 THR 66 16.939 16.869 6.567 550 HG22 THR 66 1HG2 THR 66 18.584 17.470 6.365 551 HG23 THR 66 2HG2 THR 66 17.821 16.535 5.078 552 H SER 67 H SER 67 15.482 20.257 2.852 553 HA SER 67 HA SER 67 14.168 22.030 4.490 554 HB2 SER 67 2HB SER 67 14.826 21.937 1.798 555 HB3 SER 67 3HB SER 67 13.067 22.058 1.786 556 HG SER 67 HG SER 67 13.411 23.847 3.334 557 H THR 68 H THR 68 12.912 19.193 2.910 558 HA THR 68 HA THR 68 10.173 19.871 3.697 559 HB THR 68 HB THR 68 9.629 17.703 2.452 560 HG1 THR 68 HG1 THR 68 12.248 18.110 1.406 561 HG21 THR 68 3HG2 THR 68 9.000 19.555 1.253 562 HG22 THR 68 1HG2 THR 68 10.233 18.901 0.175 563 HG23 THR 68 2HG2 THR 68 10.624 20.242 1.252 564 H ASN 69 H ASN 69 12.798 17.713 4.458 565 HA ASN 69 HA ASN 69 11.145 16.528 6.589 566 HB2 ASN 69 2HB ASN 69 12.407 14.444 6.354 567 HB3 ASN 69 3HB ASN 69 11.621 14.866 4.836 568 HD21 ASN 69 2HD2 ASN 69 14.657 15.641 3.157 569 HD22 ASN 69 1HD2 ASN 69 13.002 16.116 3.294 570 HA PRO 70 HA PRO 70 14.885 18.730 8.329 571 HB2 PRO 70 2HB PRO 70 13.496 20.215 10.128 572 HB3 PRO 70 3HB PRO 70 13.791 20.746 8.469 573 HG2 PRO 70 2HG PRO 70 11.345 19.487 9.648 574 HG3 PRO 70 3HG PRO 70 11.469 20.850 8.520 575 HD2 PRO 70 2HD PRO 70 10.852 18.341 7.710 576 HD3 PRO 70 3HD PRO 70 11.764 19.476 6.694 577 H GLU 71 H GLU 71 12.078 17.157 9.740 578 HA GLU 71 HA GLU 71 13.378 16.681 12.272 579 HB2 GLU 71 2HB GLU 71 10.713 16.101 11.088 580 HB3 GLU 71 3HB GLU 71 11.257 15.058 12.395 581 HG2 GLU 71 2HG GLU 71 11.239 16.760 13.945 582 HG3 GLU 71 3HG GLU 71 11.389 18.019 12.720 583 H ALA 72 H ALA 72 12.958 15.023 9.251 584 HA ALA 72 HA ALA 72 13.364 12.379 9.987 585 HB1 ALA 72 1HB ALA 72 14.341 12.118 7.680 586 HB2 ALA 72 2HB ALA 72 12.740 12.857 7.751 587 HB3 ALA 72 3HB ALA 72 14.166 13.864 7.495 588 H ARG 73 H ARG 73 15.792 14.844 9.154 589 HA ARG 73 HA ARG 73 18.081 13.316 9.346 590 HB2 ARG 73 2HB ARG 73 17.429 16.108 9.313 591 HB3 ARG 73 3HB ARG 73 18.680 15.824 10.516 592 HG2 ARG 73 2HG ARG 73 19.299 14.382 8.121 593 HG3 ARG 73 3HG ARG 73 18.983 16.076 7.743 594 HD2 ARG 73 2HD ARG 73 20.949 15.009 9.765 595 HD3 ARG 73 3HD ARG 73 21.333 15.768 8.221 596 HE ARG 73 HE ARG 73 19.781 17.504 9.837 597 HH11 ARG 73 1HH1 ARG 73 22.995 16.217 9.474 598 HH12 ARG 73 2HH1 ARG 73 23.765 17.582 10.212 599 HH21 ARG 73 2HH2 ARG 73 22.506 19.338 10.972 600 HH22 ARG 73 1HH2 ARG 73 20.783 19.307 10.810 601 H GLU 74 H GLU 74 16.739 15.341 11.965 602 HA GLU 74 HA GLU 74 18.432 14.351 13.971 603 HB2 GLU 74 2HB GLU 74 16.223 16.165 13.787 604 HB3 GLU 74 3HB GLU 74 15.976 15.104 15.166 605 HG2 GLU 74 2HG GLU 74 18.005 15.773 16.169 606 HG3 GLU 74 3HG GLU 74 18.548 16.578 14.698 607 H TRP 75 H TRP 75 15.474 13.124 12.623 608 HA TRP 75 HA TRP 75 14.537 11.462 14.611 609 HB2 TRP 75 2HB TRP 75 13.638 11.903 12.212 610 HB3 TRP 75 3HB TRP 75 14.632 10.521 11.760 611 HD1 TRP 75 HD1 TRP 75 12.054 11.176 14.607 612 HE1 TRP 75 HE1 TRP 75 10.510 9.121 14.750 613 HE3 TRP 75 HE3 TRP 75 14.112 8.353 10.874 614 HZ2 TRP 75 HZ2 TRP 75 10.206 6.633 13.453 615 HZ3 TRP 75 HZ3 TRP 75 13.136 6.147 10.389 616 HH2 TRP 75 HH2 TRP 75 11.223 5.306 11.653 617 H TYR 76 H TYR 76 17.308 11.037 12.515 618 HA TYR 76 HA TYR 76 17.989 8.597 14.017 619 HB2 TYR 76 2HB TYR 76 17.257 8.119 11.660 620 HB3 TYR 76 3HB TYR 76 18.634 9.062 11.100 621 HD1 TYR 76 HD1 TYR 76 20.074 7.540 10.094 622 HD2 TYR 76 HD2 TYR 76 18.392 6.594 13.886 623 HE1 TYR 76 HE1 TYR 76 21.499 5.539 10.220 624 HE2 TYR 76 HE2 TYR 76 19.813 4.591 14.023 625 HH TYR 76 HH TYR 76 20.986 3.038 12.171 626 H ASN 77 H ASN 77 18.756 11.686 13.668 627 HA ASN 77 HA ASN 77 20.625 12.973 13.897 628 HB2 ASN 77 2HB ASN 77 22.092 10.745 15.217 629 HB3 ASN 77 3HB ASN 77 21.898 12.421 15.724 630 HD21 ASN 77 2HD2 ASN 77 19.696 9.620 17.403 631 HD22 ASN 77 1HD2 ASN 77 21.148 9.360 16.505 632 H ILE 78 H ILE 78 21.211 13.090 11.713 633 HA ILE 78 HA ILE 78 23.245 11.185 10.790 634 HB ILE 78 HB ILE 78 21.529 13.160 9.295 635 HG12 ILE 78 2HG1 ILE 78 21.577 10.463 8.284 636 HG13 ILE 78 3HG1 ILE 78 21.208 10.449 10.005 637 HG21 ILE 78 1HG2 ILE 78 23.663 13.297 8.255 638 HG22 ILE 78 2HG2 ILE 78 23.873 11.548 8.315 639 HG23 ILE 78 3HG2 ILE 78 22.661 12.254 7.246 640 HD11 ILE 78 3HD1 ILE 78 19.155 11.224 9.666 641 HD12 ILE 78 1HD1 ILE 78 19.718 12.478 8.561 642 HD13 ILE 78 2HD1 ILE 78 19.419 10.845 7.964 643 H THR 79 H THR 79 25.310 11.764 10.507 644 HA THR 79 HA THR 79 26.017 14.574 11.012 645 HB THR 79 HB THR 79 28.366 13.532 11.355 646 HG1 THR 79 HG1 THR 79 28.070 11.303 12.192 647 HG21 THR 79 3HG2 THR 79 26.024 13.580 13.146 648 HG22 THR 79 1HG2 THR 79 27.613 14.319 13.338 649 HG23 THR 79 2HG2 THR 79 27.387 12.607 13.697 650 H SER 80 H SER 80 26.350 11.933 8.753 651 HA SER 80 HA SER 80 28.116 13.529 7.047 652 HB2 SER 80 2HB SER 80 27.805 11.204 5.687 653 HB3 SER 80 3HB SER 80 29.042 11.456 6.919 654 HG SER 80 HG SER 80 27.233 9.618 6.947 655 H VAL 81 H VAL 81 26.728 15.054 6.194 656 HA VAL 81 HA VAL 81 24.193 14.970 5.347 657 HB VAL 81 HB VAL 81 25.710 16.108 3.176 658 HG11 VAL 81 1HG1 VAL 81 23.444 16.757 4.030 659 HG12 VAL 81 2HG1 VAL 81 24.249 17.494 5.416 660 HG13 VAL 81 3HG1 VAL 81 24.559 18.101 3.790 661 HG21 VAL 81 3HG2 VAL 81 27.567 16.057 4.783 662 HG22 VAL 81 1HG2 VAL 81 27.049 17.706 4.429 663 HG23 VAL 81 2HG2 VAL 81 26.577 16.939 5.945 664 HA PRO 82 HA PRO 82 25.272 12.897 1.117 665 HB2 PRO 82 2HB PRO 82 27.767 11.864 0.838 666 HB3 PRO 82 3HB PRO 82 27.364 13.531 0.410 667 HG2 PRO 82 2HG PRO 82 28.666 12.475 2.889 668 HG3 PRO 82 3HG PRO 82 29.082 13.908 1.931 669 HD2 PRO 82 2HD PRO 82 27.666 14.056 4.235 670 HD3 PRO 82 3HD PRO 82 27.418 15.184 2.887 671 H THR 83 H THR 83 23.883 11.532 2.599 672 HA THR 83 HA THR 83 25.195 8.974 3.236 673 HB THR 83 HB THR 83 22.584 9.004 4.326 674 HG1 THR 83 HG1 THR 83 22.310 10.973 5.047 675 HG21 THR 83 3HG2 THR 83 24.985 9.577 5.997 676 HG22 THR 83 1HG2 THR 83 24.927 8.065 5.093 677 HG23 THR 83 2HG2 THR 83 23.668 8.437 6.271 678 H PHE 84 H PHE 84 23.964 7.011 2.833 679 HA PHE 84 HA PHE 84 21.922 7.263 0.741 680 HB2 PHE 84 2HB PHE 84 24.559 5.900 0.551 681 HB3 PHE 84 3HB PHE 84 23.179 5.086 -0.178 682 HD1 PHE 84 HD1 PHE 84 22.722 5.530 -2.379 683 HD2 PHE 84 HD2 PHE 84 24.712 8.485 -0.050 684 HE1 PHE 84 HE1 PHE 84 22.935 6.954 -4.374 685 HE2 PHE 84 HE2 PHE 84 24.928 9.914 -2.041 686 HZ PHE 84 HZ PHE 84 24.038 9.150 -4.207 687 H VAL 85 H VAL 85 20.191 6.464 1.767 688 HA VAL 85 HA VAL 85 20.489 3.988 3.324 689 HB VAL 85 HB VAL 85 18.044 5.740 3.321 690 HG11 VAL 85 1HG1 VAL 85 18.137 3.350 4.275 691 HG12 VAL 85 2HG1 VAL 85 19.096 4.066 5.573 692 HG13 VAL 85 3HG1 VAL 85 17.451 4.628 5.278 693 HG21 VAL 85 3HG2 VAL 85 19.346 6.381 5.635 694 HG22 VAL 85 1HG2 VAL 85 20.674 6.290 4.479 695 HG23 VAL 85 2HG2 VAL 85 19.317 7.376 4.179 696 H ILE 86 H ILE 86 19.544 2.144 2.689 697 HA ILE 86 HA ILE 86 17.767 2.260 0.339 698 HB ILE 86 HB ILE 86 19.291 -0.215 1.031 699 HG12 ILE 86 2HG1 ILE 86 20.405 2.119 -0.541 700 HG13 ILE 86 3HG1 ILE 86 20.969 1.584 1.038 701 HG21 ILE 86 1HG2 ILE 86 19.197 0.335 -1.735 702 HG22 ILE 86 2HG2 ILE 86 18.316 -0.900 -0.839 703 HG23 ILE 86 3HG2 ILE 86 17.601 0.693 -1.077 704 HD11 ILE 86 3HD1 ILE 86 22.504 0.515 -0.204 705 HD12 ILE 86 1HD1 ILE 86 21.234 -0.702 -0.333 706 HD13 ILE 86 2HD1 ILE 86 21.473 0.465 -1.634 707 H GLU 87 H GLU 87 15.735 1.742 0.770 708 HA GLU 87 HA GLU 87 15.187 -0.070 3.025 709 HB2 GLU 87 2HB GLU 87 13.206 1.065 3.451 710 HB3 GLU 87 3HB GLU 87 14.289 2.364 2.973 711 HG2 GLU 87 2HG GLU 87 12.248 1.027 1.211 712 HG3 GLU 87 3HG GLU 87 12.098 2.617 1.957 713 H LYS 88 H LYS 88 12.922 -1.160 2.701 714 HA LYS 88 HA LYS 88 12.143 -1.837 0.053 715 HB2 LYS 88 2HB LYS 88 14.238 -3.114 0.130 716 HB3 LYS 88 3HB LYS 88 13.696 -3.925 1.593 717 HG2 LYS 88 2HG LYS 88 11.656 -4.346 -0.254 718 HG3 LYS 88 3HG LYS 88 13.154 -4.551 -1.165 719 HD2 LYS 88 2HD LYS 88 13.017 -6.659 -0.356 720 HD3 LYS 88 3HD LYS 88 13.780 -5.927 1.058 721 HE2 LYS 88 2HE LYS 88 11.885 -6.041 2.307 722 HE3 LYS 88 3HE LYS 88 10.825 -5.810 0.917 723 HZ1 LYS 88 3HZ LYS 88 10.565 -7.990 0.712 724 HZ2 LYS 88 1HZ LYS 88 11.350 -8.176 2.200 725 HZ3 LYS 88 2HZ LYS 88 12.231 -8.281 0.760 726 H GLY 89 H GLY 89 10.029 -1.679 0.551 727 HA2 GLY 89 2HA GLY 89 8.019 -2.708 1.199 728 HA3 GLY 89 3HA GLY 89 8.922 -3.715 2.321 729 H GLY 90 H GLY 90 10.318 -1.694 3.700 730 HA2 GLY 90 2HA GLY 90 9.246 0.512 4.675 731 HA3 GLY 90 3HA GLY 90 8.118 -0.667 5.328 732 H GLU 91 H GLU 91 11.665 -0.579 4.975 733 HA GLU 91 HA GLU 91 12.261 -0.202 7.674 734 HB2 GLU 91 2HB GLU 91 13.016 -2.586 8.183 735 HB3 GLU 91 3HB GLU 91 11.288 -2.267 8.249 736 HG2 GLU 91 2HG GLU 91 10.835 -3.622 6.517 737 HG3 GLU 91 3HG GLU 91 12.300 -3.177 5.645 738 HA PRO 92 HA PRO 92 16.276 0.202 5.949 739 HB2 PRO 92 2HB PRO 92 17.828 -0.215 8.137 740 HB3 PRO 92 3HB PRO 92 16.876 1.255 7.901 741 HG2 PRO 92 2HG PRO 92 16.250 -1.163 9.551 742 HG3 PRO 92 3HG PRO 92 16.033 0.551 9.951 743 HD2 PRO 92 2HD PRO 92 13.990 -1.020 9.123 744 HD3 PRO 92 3HD PRO 92 14.072 0.713 8.751 745 H LEU 93 H LEU 93 17.470 -1.129 4.745 746 HA LEU 93 HA LEU 93 17.801 -3.914 5.643 747 HB2 LEU 93 2HB LEU 93 16.543 -3.235 3.445 748 HB3 LEU 93 3HB LEU 93 18.177 -3.079 2.804 749 HG LEU 93 HG LEU 93 17.301 -5.614 4.140 750 HD11 LEU 93 1HD1 LEU 93 15.610 -5.528 2.577 751 HD12 LEU 93 2HD1 LEU 93 16.888 -6.346 1.679 752 HD13 LEU 93 3HD1 LEU 93 16.584 -4.629 1.414 753 HD21 LEU 93 3HD2 LEU 93 19.702 -4.758 3.152 754 HD22 LEU 93 1HD2 LEU 93 19.039 -5.665 1.792 755 HD23 LEU 93 2HD2 LEU 93 19.228 -6.444 3.363 756 H GLY 94 H GLY 94 19.421 -1.132 4.205 757 HA2 GLY 94 2HA GLY 94 21.968 -2.169 5.182 758 HA3 GLY 94 3HA GLY 94 21.846 -1.886 3.452 759 H GLU 95 H GLU 95 23.694 -0.428 4.008 760 HA GLU 95 HA GLU 95 22.785 2.268 4.046 761 HB2 GLU 95 2HB GLU 95 23.701 3.044 6.094 762 HB3 GLU 95 3HB GLU 95 22.722 1.640 6.493 763 HG2 GLU 95 2HG GLU 95 24.886 0.304 6.378 764 HG3 GLU 95 3HG GLU 95 25.709 1.863 6.390 765 H VAL 96 H VAL 96 24.343 3.701 3.322 766 HA VAL 96 HA VAL 96 27.071 2.702 2.956 767 HB VAL 96 HB VAL 96 25.371 3.793 0.709 768 HG11 VAL 96 1HG1 VAL 96 27.376 3.394 -0.689 769 HG12 VAL 96 2HG1 VAL 96 27.613 4.658 0.519 770 HG13 VAL 96 3HG1 VAL 96 28.293 3.051 0.778 771 HG21 VAL 96 3HG2 VAL 96 26.555 1.070 1.224 772 HG22 VAL 96 1HG2 VAL 96 24.848 1.494 1.097 773 HG23 VAL 96 2HG2 VAL 96 25.885 1.573 -0.327 774 H LYS 97 H LYS 97 28.641 4.280 2.894 775 HA LYS 97 HA LYS 97 27.906 7.078 2.766 776 HB2 LYS 97 2HB LYS 97 28.664 7.703 4.924 777 HB3 LYS 97 3HB LYS 97 27.571 6.347 5.167 778 HG2 LYS 97 2HG LYS 97 29.158 5.339 6.330 779 HG3 LYS 97 3HG LYS 97 30.126 5.233 4.858 780 HD2 LYS 97 2HD LYS 97 31.372 7.103 5.386 781 HD3 LYS 97 3HD LYS 97 30.117 7.772 6.432 782 HE2 LYS 97 2HE LYS 97 30.906 6.708 8.236 783 HE3 LYS 97 3HE LYS 97 31.138 5.200 7.353 784 HZ1 LYS 97 3HZ LYS 97 33.223 5.987 6.529 785 HZ2 LYS 97 1HZ LYS 97 33.219 6.181 8.209 786 HZ3 LYS 97 2HZ LYS 97 32.984 7.520 7.202 787 H GLY 98 H GLY 98 29.670 8.459 2.384 788 HA2 GLY 98 2HA GLY 98 32.035 8.874 2.234 789 HA3 GLY 98 3HA GLY 98 32.284 7.144 2.049 790 HA PRO 99 HA PRO 99 32.090 9.451 -2.106 791 HB2 PRO 99 2HB PRO 99 34.735 9.373 -2.713 792 HB3 PRO 99 3HB PRO 99 33.988 10.717 -1.839 793 HG2 PRO 99 2HG PRO 99 35.545 8.393 -0.771 794 HG3 PRO 99 3HG PRO 99 35.633 10.104 -0.314 795 HD2 PRO 99 2HD PRO 99 34.280 8.273 1.151 796 HD3 PRO 99 3HD PRO 99 33.770 9.970 1.036 797 H ASP 100 H ASP 100 31.054 7.228 -2.263 798 HA ASP 100 HA ASP 100 32.798 5.493 -3.876 799 HB2 ASP 100 2HB ASP 100 31.864 3.512 -2.907 800 HB3 ASP 100 3HB ASP 100 32.393 4.544 -1.581 801 H ILE 101 H ILE 101 31.145 7.481 -4.909 802 HA ILE 101 HA ILE 101 28.566 6.662 -5.621 803 HB ILE 101 HB ILE 101 30.516 8.530 -6.943 804 HG12 ILE 101 2HG1 ILE 101 29.463 9.230 -4.821 805 HG13 ILE 101 3HG1 ILE 101 28.956 10.241 -6.171 806 HG21 ILE 101 1HG2 ILE 101 29.382 8.008 -8.845 807 HG22 ILE 101 2HG2 ILE 101 27.941 7.485 -7.975 808 HG23 ILE 101 3HG2 ILE 101 28.269 9.205 -8.185 809 HD11 ILE 101 3HD1 ILE 101 27.390 8.112 -4.753 810 HD12 ILE 101 1HD1 ILE 101 27.028 9.832 -4.898 811 HD13 ILE 101 2HD1 ILE 101 26.898 8.781 -6.309 812 H ASP 102 H ASP 102 31.690 5.830 -6.928 813 HA ASP 102 HA ASP 102 30.645 4.649 -9.335 814 HB2 ASP 102 2HB ASP 102 33.335 4.894 -8.063 815 HB3 ASP 102 3HB ASP 102 33.096 3.637 -9.275 816 H LYS 103 H LYS 103 31.526 3.563 -6.127 817 HA LYS 103 HA LYS 103 31.285 0.763 -6.815 818 HB2 LYS 103 2HB LYS 103 32.840 1.804 -5.031 819 HB3 LYS 103 3HB LYS 103 31.403 1.861 -4.017 820 HG2 LYS 103 2HG LYS 103 31.146 -0.589 -4.347 821 HG3 LYS 103 3HG LYS 103 32.686 -0.588 -5.208 822 HD2 LYS 103 2HD LYS 103 33.832 0.213 -3.235 823 HD3 LYS 103 3HD LYS 103 32.301 0.361 -2.369 824 HE2 LYS 103 2HE LYS 103 32.493 -2.283 -3.392 825 HE3 LYS 103 3HE LYS 103 34.011 -1.898 -2.582 826 HZ1 LYS 103 3HZ LYS 103 32.057 -2.866 -1.226 827 HZ2 LYS 103 1HZ LYS 103 31.453 -1.286 -1.262 828 HZ3 LYS 103 2HZ LYS 103 32.965 -1.598 -0.571 829 H LEU 104 H LEU 104 29.218 3.287 -5.822 830 HA LEU 104 HA LEU 104 27.298 2.043 -4.282 831 HB2 LEU 104 2HB LEU 104 27.432 4.470 -4.993 832 HB3 LEU 104 3HB LEU 104 26.656 3.975 -6.496 833 HG LEU 104 HG LEU 104 24.918 2.974 -4.670 834 HD11 LEU 104 1HD1 LEU 104 26.508 4.363 -3.023 835 HD12 LEU 104 2HD1 LEU 104 24.777 4.162 -2.754 836 HD13 LEU 104 3HD1 LEU 104 25.388 5.641 -3.494 837 HD21 LEU 104 3HD2 LEU 104 25.074 5.547 -6.173 838 HD22 LEU 104 1HD2 LEU 104 23.724 5.262 -5.074 839 HD23 LEU 104 2HD2 LEU 104 24.012 4.160 -6.421 840 H ARG 105 H ARG 105 27.719 1.955 -7.784 841 HA ARG 105 HA ARG 105 25.347 0.738 -8.534 842 HB2 ARG 105 2HB ARG 105 26.526 -0.044 -10.512 843 HB3 ARG 105 3HB ARG 105 27.025 1.596 -10.121 844 HG2 ARG 105 2HG ARG 105 29.009 0.541 -8.931 845 HG3 ARG 105 3HG ARG 105 28.554 -0.956 -9.747 846 HD2 ARG 105 2HD ARG 105 28.533 0.659 -11.856 847 HD3 ARG 105 3HD ARG 105 29.676 1.557 -10.859 848 HE ARG 105 HE ARG 105 30.517 -1.073 -10.824 849 HH11 ARG 105 1HH1 ARG 105 30.021 1.419 -13.204 850 HH12 ARG 105 2HH1 ARG 105 31.259 0.834 -14.265 851 HH21 ARG 105 2HH2 ARG 105 32.469 -1.028 -13.701 852 HH22 ARG 105 1HH2 ARG 105 32.149 -1.853 -12.213 853 H GLU 106 H GLU 106 28.271 -0.685 -7.183 854 HA GLU 106 HA GLU 106 27.206 -3.377 -7.433 855 HB2 GLU 106 2HB GLU 106 29.708 -2.633 -5.943 856 HB3 GLU 106 3HB GLU 106 29.316 -4.148 -6.744 857 HG2 GLU 106 2HG GLU 106 29.850 -1.536 -8.139 858 HG3 GLU 106 3HG GLU 106 31.011 -2.848 -7.948 859 H THR 107 H THR 107 27.874 -0.995 -4.922 860 HA THR 107 HA THR 107 27.353 -2.611 -2.687 861 HB THR 107 HB THR 107 26.671 0.314 -2.724 862 HG1 THR 107 HG1 THR 107 28.953 0.670 -2.382 863 HG21 THR 107 3HG2 THR 107 28.029 -0.023 -0.486 864 HG22 THR 107 1HG2 THR 107 27.562 -1.707 -0.721 865 HG23 THR 107 2HG2 THR 107 26.324 -0.458 -0.589 866 H LEU 108 H LEU 108 25.227 -0.883 -4.865 867 HA LEU 108 HA LEU 108 22.896 -1.314 -3.200 868 HB2 LEU 108 2HB LEU 108 21.837 0.165 -4.530 869 HB3 LEU 108 3HB LEU 108 23.488 0.612 -4.954 870 HG LEU 108 HG LEU 108 23.092 -1.205 -6.849 871 HD11 LEU 108 1HD1 LEU 108 20.958 -1.977 -6.480 872 HD12 LEU 108 2HD1 LEU 108 20.662 -0.689 -7.648 873 HD13 LEU 108 3HD1 LEU 108 20.367 -0.408 -5.932 874 HD21 LEU 108 3HD2 LEU 108 23.407 0.619 -8.071 875 HD22 LEU 108 1HD2 LEU 108 23.043 1.613 -6.660 876 HD23 LEU 108 2HD2 LEU 108 21.750 1.140 -7.762 877 H ASP 109 H ASP 109 24.536 -2.881 -5.800 878 HA ASP 109 HA ASP 109 22.288 -4.472 -6.640 879 HB2 ASP 109 2HB ASP 109 23.779 -4.209 -8.386 880 HB3 ASP 109 3HB ASP 109 25.190 -4.337 -7.340 881 H GLU 110 H GLU 110 25.261 -5.054 -4.780 882 HA GLU 110 HA GLU 110 24.935 -7.759 -4.277 883 HB2 GLU 110 2HB GLU 110 26.077 -5.704 -2.377 884 HB3 GLU 110 3HB GLU 110 26.379 -7.435 -2.338 885 HG2 GLU 110 2HG GLU 110 27.003 -6.089 -4.878 886 HG3 GLU 110 3HG GLU 110 28.010 -5.643 -3.502 887 H LEU 111 H LEU 111 23.198 -5.065 -3.002 888 HA LEU 111 HA LEU 111 22.013 -6.690 -0.876 889 HB2 LEU 111 2HB LEU 111 22.589 -4.609 -0.026 890 HB3 LEU 111 3HB LEU 111 22.081 -3.763 -1.486 891 HG LEU 111 HG LEU 111 19.978 -5.117 0.114 892 HD11 LEU 111 1HD1 LEU 111 21.240 -4.091 1.877 893 HD12 LEU 111 2HD1 LEU 111 19.798 -3.122 1.576 894 HD13 LEU 111 3HD1 LEU 111 21.365 -2.583 0.971 895 HD21 LEU 111 3HD2 LEU 111 19.048 -4.058 -1.686 896 HD22 LEU 111 1HD2 LEU 111 20.261 -2.778 -1.702 897 HD23 LEU 111 2HD2 LEU 111 18.974 -2.757 -0.496 898 H LEU 112 H LEU 112 21.008 -4.650 -3.615 899 HA LEU 112 HA LEU 112 18.270 -5.211 -3.483 900 HB2 LEU 112 2HB LEU 112 19.416 -3.422 -4.836 901 HB3 LEU 112 3HB LEU 112 19.828 -4.678 -6.002 902 HG LEU 112 HG LEU 112 17.489 -5.046 -6.490 903 HD11 LEU 112 1HD1 LEU 112 17.105 -3.276 -4.134 904 HD12 LEU 112 2HD1 LEU 112 16.230 -4.730 -4.613 905 HD13 LEU 112 3HD1 LEU 112 15.923 -3.204 -5.441 906 HD21 LEU 112 3HD2 LEU 112 17.021 -2.398 -6.964 907 HD22 LEU 112 1HD2 LEU 112 17.985 -3.460 -7.991 908 HD23 LEU 112 2HD2 LEU 112 18.777 -2.437 -6.792 909 H ALA 113 H ALA 113 20.903 -7.149 -4.511 910 HA ALA 113 HA ALA 113 19.738 -8.826 -6.397 911 HB1 ALA 113 1HB ALA 113 21.382 -10.538 -5.560 912 HB2 ALA 113 2HB ALA 113 22.074 -8.981 -6.018 913 HB3 ALA 113 3HB ALA 113 21.841 -9.375 -4.315 914 H ARG 114 H ARG 114 19.217 -8.615 -2.980 915 HA ARG 114 HA ARG 114 18.265 -11.161 -2.395 916 HB2 ARG 114 2HB ARG 114 18.682 -9.389 -0.715 917 HB3 ARG 114 3HB ARG 114 17.254 -8.536 -1.287 918 HG2 ARG 114 2HG ARG 114 16.075 -9.657 0.212 919 HG3 ARG 114 3HG ARG 114 16.381 -11.123 -0.721 920 HD2 ARG 114 2HD ARG 114 18.632 -11.156 0.585 921 HD3 ARG 114 3HD ARG 114 17.787 -10.089 1.706 922 HE ARG 114 HE ARG 114 16.088 -12.197 1.355 923 HH11 ARG 114 1HH1 ARG 114 19.402 -11.843 2.362 924 HH12 ARG 114 2HH1 ARG 114 19.374 -13.237 3.391 925 HH21 ARG 114 2HH2 ARG 114 17.461 -14.482 3.586 926 HH22 ARG 114 1HH2 ARG 114 16.039 -14.033 2.706 927 H LEU 115 H LEU 115 16.301 -8.298 -3.228 928 HA LEU 115 HA LEU 115 14.032 -10.014 -3.824 929 HB2 LEU 115 2HB LEU 115 14.030 -7.706 -2.614 930 HB3 LEU 115 3HB LEU 115 14.063 -7.056 -4.252 931 HG LEU 115 HG LEU 115 11.974 -8.505 -4.648 932 HD11 LEU 115 1HD1 LEU 115 12.421 -9.658 -2.360 933 HD12 LEU 115 2HD1 LEU 115 10.767 -9.300 -2.855 934 HD13 LEU 115 3HD1 LEU 115 11.587 -8.252 -1.698 935 HD21 LEU 115 3HD2 LEU 115 11.349 -6.348 -4.714 936 HD22 LEU 115 1HD2 LEU 115 12.287 -5.925 -3.281 937 HD23 LEU 115 2HD2 LEU 115 10.698 -6.672 -3.107 938 H GLU 116 H GLU 116 15.790 -7.420 -5.536 939 HA GLU 116 HA GLU 116 14.763 -8.392 -8.078 940 HB2 GLU 116 2HB GLU 116 15.628 -5.875 -7.070 941 HB3 GLU 116 3HB GLU 116 16.668 -6.297 -8.423 942 HG2 GLU 116 2HG GLU 116 13.660 -6.241 -8.501 943 HG3 GLU 116 3HG GLU 116 14.721 -4.966 -9.097 Start of MODEL 14 1 H1 MET 1 H MET 1 -3.115 3.068 -2.950 2 HA MET 1 HA MET 1 -1.063 3.222 -3.930 3 HB2 MET 1 2HB MET 1 0.851 2.587 -2.481 4 HB3 MET 1 3HB MET 1 -0.349 3.567 -1.650 5 HG2 MET 1 2HG MET 1 -0.743 0.671 -1.414 6 HG3 MET 1 3HG MET 1 0.731 1.290 -0.673 7 HE1 MET 1 3HE MET 1 -1.285 1.070 2.556 8 HE2 MET 1 1HE MET 1 -1.395 -0.110 1.250 9 HE3 MET 1 2HE MET 1 0.161 0.617 1.652 10 H ALA 2 H ALA 2 -2.656 0.922 -4.650 11 HA ALA 2 HA ALA 2 -0.613 -1.137 -5.109 12 HB1 ALA 2 1HB ALA 2 -2.322 -2.697 -5.404 13 HB2 ALA 2 2HB ALA 2 -2.905 -1.673 -4.091 14 HB3 ALA 2 3HB ALA 2 -3.531 -1.453 -5.725 15 H ARG 3 H ARG 3 0.022 -1.726 -7.134 16 HA ARG 3 HA ARG 3 -1.347 -0.963 -9.508 17 HB2 ARG 3 2HB ARG 3 0.686 0.849 -8.426 18 HB3 ARG 3 3HB ARG 3 0.986 0.370 -10.091 19 HG2 ARG 3 2HG ARG 3 -0.652 1.662 -10.865 20 HG3 ARG 3 3HG ARG 3 -1.782 1.116 -9.625 21 HD2 ARG 3 2HD ARG 3 -0.841 2.673 -8.031 22 HD3 ARG 3 3HD ARG 3 0.391 3.161 -9.194 23 HE ARG 3 HE ARG 3 -1.141 4.545 -10.171 24 HH11 ARG 3 1HH1 ARG 3 -2.819 2.221 -8.195 25 HH12 ARG 3 2HH1 ARG 3 -4.367 2.975 -8.394 26 HH21 ARG 3 2HH2 ARG 3 -4.567 4.866 -9.671 27 HH22 ARG 3 1HH2 ARG 3 -3.173 5.547 -10.440 28 HA PRO 4 HA PRO 4 1.109 -4.166 -11.225 29 HB2 PRO 4 2HB PRO 4 1.423 -3.353 -13.796 30 HB3 PRO 4 3HB PRO 4 -0.116 -3.943 -13.156 31 HG2 PRO 4 2HG PRO 4 0.808 -1.126 -13.572 32 HG3 PRO 4 3HG PRO 4 -0.772 -1.848 -13.925 33 HD2 PRO 4 2HD PRO 4 -0.315 -0.354 -11.713 34 HD3 PRO 4 3HD PRO 4 -1.469 -1.703 -11.733 35 H SER 5 H SER 5 3.101 -4.452 -12.808 36 HA SER 5 HA SER 5 5.362 -3.526 -11.502 37 HB2 SER 5 2HB SER 5 5.934 -5.315 -12.795 38 HB3 SER 5 3HB SER 5 4.823 -4.867 -14.090 39 HG SER 5 HG SER 5 6.468 -4.037 -15.076 40 H ASN 6 H ASN 6 6.904 -1.943 -11.951 41 HA ASN 6 HA ASN 6 6.587 -0.082 -14.102 42 HB2 ASN 6 2HB ASN 6 4.825 0.595 -12.371 43 HB3 ASN 6 3HB ASN 6 6.177 1.064 -11.343 44 HD21 ASN 6 2HD2 ASN 6 6.974 3.955 -13.140 45 HD22 ASN 6 1HD2 ASN 6 7.519 2.778 -11.998 46 H VAL 7 H VAL 7 8.743 -0.608 -14.494 47 HA VAL 7 HA VAL 7 10.658 0.489 -12.539 48 HB VAL 7 HB VAL 7 12.303 -1.146 -13.255 49 HG11 VAL 7 1HG1 VAL 7 10.607 -1.663 -11.447 50 HG12 VAL 7 2HG1 VAL 7 9.768 -2.647 -12.648 51 HG13 VAL 7 3HG1 VAL 7 11.419 -3.050 -12.173 52 HG21 VAL 7 3HG2 VAL 7 11.992 -1.734 -15.432 53 HG22 VAL 7 1HG2 VAL 7 11.198 -3.111 -14.667 54 HG23 VAL 7 2HG2 VAL 7 10.235 -1.771 -15.288 55 H LYS 8 H LYS 8 9.387 1.932 -14.669 56 HA LYS 8 HA LYS 8 11.348 2.177 -16.789 57 HB2 LYS 8 2HB LYS 8 8.617 3.154 -16.274 58 HB3 LYS 8 3HB LYS 8 9.650 4.284 -17.140 59 HG2 LYS 8 2HG LYS 8 8.663 3.114 -18.856 60 HG3 LYS 8 3HG LYS 8 10.186 2.246 -18.649 61 HD2 LYS 8 2HD LYS 8 9.063 0.552 -17.314 62 HD3 LYS 8 3HD LYS 8 7.541 1.437 -17.440 63 HE2 LYS 8 2HE LYS 8 8.132 1.197 -20.043 64 HE3 LYS 8 3HE LYS 8 8.940 -0.245 -19.432 65 HZ1 LYS 8 3HZ LYS 8 6.087 0.443 -18.975 66 HZ2 LYS 8 1HZ LYS 8 6.869 -0.958 -18.438 67 HZ3 LYS 8 2HZ LYS 8 6.652 -0.693 -20.094 68 HA PRO 9 HA PRO 9 13.719 5.499 -15.179 69 HB2 PRO 9 2HB PRO 9 14.097 7.065 -17.365 70 HB3 PRO 9 3HB PRO 9 14.890 5.499 -17.156 71 HG2 PRO 9 2HG PRO 9 12.454 6.191 -18.752 72 HG3 PRO 9 3HG PRO 9 13.816 5.142 -19.187 73 HD2 PRO 9 2HD PRO 9 11.445 4.165 -18.317 74 HD3 PRO 9 3HD PRO 9 12.990 3.359 -17.983 75 H SER 10 H SER 10 13.865 8.097 -15.564 76 HA SER 10 HA SER 10 12.930 10.112 -15.074 77 HB2 SER 10 2HB SER 10 11.631 9.433 -17.228 78 HB3 SER 10 3HB SER 10 10.284 9.149 -16.125 79 HG SER 10 HG SER 10 11.730 11.576 -16.111 80 HA PRO 11 HA PRO 11 11.000 8.198 -11.298 81 HB2 PRO 11 2HB PRO 11 12.752 9.309 -9.547 82 HB3 PRO 11 3HB PRO 11 13.053 7.768 -10.360 83 HG2 PRO 11 2HG PRO 11 14.079 10.498 -11.035 84 HG3 PRO 11 3HG PRO 11 14.944 8.950 -11.019 85 HD2 PRO 11 2HD PRO 11 14.035 10.087 -13.302 86 HD3 PRO 11 3HD PRO 11 14.126 8.328 -13.082 87 H HIS 12 H HIS 12 10.621 9.543 -9.124 88 HA HIS 12 HA HIS 12 9.659 12.206 -9.942 89 HB2 HIS 12 2HB HIS 12 8.301 9.975 -8.625 90 HB3 HIS 12 3HB HIS 12 8.117 11.499 -7.762 91 HD1 HIS 12 HD1 HIS 12 5.604 11.599 -8.386 92 HD2 HIS 12 HD2 HIS 12 8.176 11.614 -11.649 93 HE1 HIS 12 HE1 HIS 12 4.190 12.269 -10.354 94 H VAL 13 H VAL 13 10.387 13.894 -8.820 95 HA VAL 13 HA VAL 13 12.291 13.521 -6.720 96 HB VAL 13 HB VAL 13 12.583 15.362 -8.260 97 HG11 VAL 13 1HG1 VAL 13 10.537 17.151 -7.319 98 HG12 VAL 13 2HG1 VAL 13 10.913 16.648 -8.968 99 HG13 VAL 13 3HG1 VAL 13 9.817 15.683 -7.979 100 HG21 VAL 13 3HG2 VAL 13 12.975 17.164 -6.685 101 HG22 VAL 13 1HG2 VAL 13 11.887 16.411 -5.519 102 HG23 VAL 13 2HG2 VAL 13 13.402 15.618 -5.950 103 H ILE 14 H ILE 14 11.901 13.324 -4.622 104 HA ILE 14 HA ILE 14 9.271 14.144 -3.594 105 HB ILE 14 HB ILE 14 11.202 12.304 -2.199 106 HG12 ILE 14 2HG1 ILE 14 10.728 11.290 -4.348 107 HG13 ILE 14 3HG1 ILE 14 9.830 10.434 -3.100 108 HG21 ILE 14 1HG2 ILE 14 9.695 12.696 -0.582 109 HG22 ILE 14 2HG2 ILE 14 8.489 13.304 -1.715 110 HG23 ILE 14 3HG2 ILE 14 8.687 11.567 -1.486 111 HD11 ILE 14 3HD1 ILE 14 8.178 12.509 -4.085 112 HD12 ILE 14 1HD1 ILE 14 8.861 11.650 -5.464 113 HD13 ILE 14 2HD1 ILE 14 7.964 10.765 -4.230 114 H LYS 15 H LYS 15 9.139 15.159 -1.525 115 HA LYS 15 HA LYS 15 11.437 16.055 -0.115 116 HB2 LYS 15 2HB LYS 15 11.031 18.518 -0.580 117 HB3 LYS 15 3HB LYS 15 11.801 17.602 -1.868 118 HG2 LYS 15 2HG LYS 15 10.103 17.931 -3.287 119 HG3 LYS 15 3HG LYS 15 8.880 17.696 -2.036 120 HD2 LYS 15 2HD LYS 15 9.029 19.931 -1.322 121 HD3 LYS 15 3HD LYS 15 10.554 20.188 -2.172 122 HE2 LYS 15 2HE LYS 15 8.929 19.493 -4.226 123 HE3 LYS 15 3HE LYS 15 7.786 20.309 -3.161 124 HZ1 LYS 15 3HZ LYS 15 9.338 22.209 -3.100 125 HZ2 LYS 15 1HZ LYS 15 8.738 21.897 -4.652 126 HZ3 LYS 15 2HZ LYS 15 10.312 21.430 -4.243 127 H SER 16 H SER 16 9.302 14.735 0.818 128 HA SER 16 HA SER 16 8.209 16.601 2.727 129 HB2 SER 16 2HB SER 16 6.555 15.433 0.542 130 HB3 SER 16 3HB SER 16 5.838 15.513 2.151 131 HG SER 16 HG SER 16 5.998 17.449 0.405 132 H LEU 17 H LEU 17 7.238 15.568 4.542 133 HA LEU 17 HA LEU 17 8.455 13.123 5.254 134 HB2 LEU 17 2HB LEU 17 7.368 15.144 6.643 135 HB3 LEU 17 3HB LEU 17 6.041 13.988 6.727 136 HG LEU 17 HG LEU 17 7.590 12.341 7.732 137 HD11 LEU 17 1HD1 LEU 17 9.581 13.886 6.718 138 HD12 LEU 17 2HD1 LEU 17 9.792 12.675 7.982 139 HD13 LEU 17 3HD1 LEU 17 9.590 14.373 8.413 140 HD21 LEU 17 3HD2 LEU 17 7.765 13.459 9.922 141 HD22 LEU 17 1HD2 LEU 17 6.187 13.691 9.169 142 HD23 LEU 17 2HD2 LEU 17 7.373 14.996 9.149 143 H GLU 18 H GLU 18 5.029 13.906 4.644 144 HA GLU 18 HA GLU 18 4.034 11.310 4.876 145 HB2 GLU 18 2HB GLU 18 2.816 13.614 4.622 146 HB3 GLU 18 3HB GLU 18 2.860 13.237 2.905 147 HG2 GLU 18 2HG GLU 18 1.591 11.240 3.243 148 HG3 GLU 18 3HG GLU 18 1.688 11.419 4.994 149 H GLU 19 H GLU 19 5.129 13.066 1.986 150 HA GLU 19 HA GLU 19 4.586 11.077 0.105 151 HB2 GLU 19 2HB GLU 19 5.289 13.498 -0.298 152 HB3 GLU 19 3HB GLU 19 6.942 12.949 -0.057 153 HG2 GLU 19 2HG GLU 19 6.553 13.001 -2.388 154 HG3 GLU 19 3HG GLU 19 6.577 11.306 -1.904 155 H LEU 20 H LEU 20 7.317 11.515 2.264 156 HA LEU 20 HA LEU 20 9.096 9.689 1.106 157 HB2 LEU 20 2HB LEU 20 9.212 11.375 3.201 158 HB3 LEU 20 3HB LEU 20 9.030 9.843 4.054 159 HG LEU 20 HG LEU 20 11.029 9.052 2.644 160 HD11 LEU 20 1HD1 LEU 20 10.756 11.266 1.246 161 HD12 LEU 20 2HD1 LEU 20 12.344 10.560 1.543 162 HD13 LEU 20 3HD1 LEU 20 11.790 11.924 2.514 163 HD21 LEU 20 3HD2 LEU 20 10.948 9.700 5.114 164 HD22 LEU 20 1HD2 LEU 20 11.663 11.231 4.609 165 HD23 LEU 20 2HD2 LEU 20 12.523 9.718 4.319 166 H ARG 21 H ARG 21 7.050 9.145 3.982 167 HA ARG 21 HA ARG 21 7.415 6.331 3.933 168 HB2 ARG 21 2HB ARG 21 5.714 8.242 5.455 169 HB3 ARG 21 3HB ARG 21 5.231 6.551 5.447 170 HG2 ARG 21 2HG ARG 21 7.585 6.011 6.195 171 HG3 ARG 21 3HG ARG 21 7.789 7.743 6.470 172 HD2 ARG 21 2HD ARG 21 5.724 5.955 7.750 173 HD3 ARG 21 3HD ARG 21 7.159 6.619 8.530 174 HE ARG 21 HE ARG 21 5.868 8.827 7.677 175 HH11 ARG 21 1HH1 ARG 21 4.850 6.047 9.509 176 HH12 ARG 21 2HH1 ARG 21 3.648 6.914 10.405 177 HH21 ARG 21 2HH2 ARG 21 3.328 9.151 10.030 178 HH22 ARG 21 1HH2 ARG 21 4.288 9.980 8.851 179 H GLU 22 H GLU 22 5.442 8.418 2.129 180 HA GLU 22 HA GLU 22 3.216 6.708 1.689 181 HB2 GLU 22 2HB GLU 22 2.955 9.044 1.251 182 HB3 GLU 22 3HB GLU 22 4.317 9.050 0.140 183 HG2 GLU 22 2HG GLU 22 2.171 9.160 -1.023 184 HG3 GLU 22 3HG GLU 22 3.082 7.710 -1.443 185 H ALA 23 H ALA 23 5.832 7.621 -0.561 186 HA ALA 23 HA ALA 23 5.282 5.572 -2.414 187 HB1 ALA 23 1HB ALA 23 7.198 7.693 -2.119 188 HB2 ALA 23 2HB ALA 23 7.992 6.221 -2.682 189 HB3 ALA 23 3HB ALA 23 6.632 6.890 -3.584 190 H THR 24 H THR 24 7.223 5.668 0.481 191 HA THR 24 HA THR 24 8.406 3.062 -0.101 192 HB THR 24 HB THR 24 9.745 3.386 1.904 193 HG1 THR 24 HG1 THR 24 8.627 4.509 3.360 194 HG21 THR 24 3HG2 THR 24 11.132 5.102 1.119 195 HG22 THR 24 1HG2 THR 24 9.776 6.031 0.480 196 HG23 THR 24 2HG2 THR 24 10.287 4.548 -0.326 197 H ALA 25 H ALA 25 5.514 3.957 0.910 198 HA ALA 25 HA ALA 25 4.984 2.824 3.366 199 HB1 ALA 25 1HB ALA 25 2.686 2.292 2.290 200 HB2 ALA 25 2HB ALA 25 3.204 3.972 2.434 201 HB3 ALA 25 3HB ALA 25 3.341 3.136 0.887 202 H SER 26 H SER 26 5.475 1.246 0.273 203 HA SER 26 HA SER 26 6.202 -1.213 1.371 204 HB2 SER 26 2HB SER 26 4.151 -1.975 1.987 205 HB3 SER 26 3HB SER 26 3.303 -0.852 0.925 206 HG SER 26 HG SER 26 2.979 -2.834 0.050 207 H ASN 27 H ASN 27 6.987 -2.619 -0.176 208 HA ASN 27 HA ASN 27 7.965 -3.141 -2.168 209 HB2 ASN 27 2HB ASN 27 5.898 -4.037 -2.821 210 HB3 ASN 27 3HB ASN 27 5.143 -2.450 -2.939 211 HD21 ASN 27 2HD2 ASN 27 7.786 -3.379 -5.919 212 HD22 ASN 27 1HD2 ASN 27 8.180 -3.692 -4.266 213 H ARG 28 H ARG 28 9.556 -1.537 -2.202 214 HA ARG 28 HA ARG 28 9.596 0.133 -4.449 215 HB2 ARG 28 2HB ARG 28 8.045 1.571 -3.332 216 HB3 ARG 28 3HB ARG 28 8.969 1.508 -1.837 217 HG2 ARG 28 2HG ARG 28 9.275 3.636 -2.959 218 HG3 ARG 28 3HG ARG 28 10.790 2.733 -2.906 219 HD2 ARG 28 2HD ARG 28 10.920 2.624 -5.135 220 HD3 ARG 28 3HD ARG 28 9.224 2.170 -5.292 221 HE ARG 28 HE ARG 28 9.400 4.903 -4.654 222 HH11 ARG 28 1HH1 ARG 28 10.044 2.700 -7.272 223 HH12 ARG 28 2HH1 ARG 28 9.796 3.890 -8.507 224 HH21 ARG 28 2HH2 ARG 28 9.243 6.039 -7.936 225 HH22 ARG 28 1HH2 ARG 28 9.071 6.478 -6.271 226 H ILE 29 H ILE 29 11.673 0.072 -4.958 227 HA ILE 29 HA ILE 29 13.662 0.113 -2.785 228 HB ILE 29 HB ILE 29 14.094 -0.950 -5.575 229 HG12 ILE 29 2HG1 ILE 29 14.110 -3.117 -3.862 230 HG13 ILE 29 3HG1 ILE 29 12.767 -2.151 -3.260 231 HG21 ILE 29 1HG2 ILE 29 15.903 -0.235 -3.634 232 HG22 ILE 29 2HG2 ILE 29 15.730 -1.973 -3.395 233 HG23 ILE 29 3HG2 ILE 29 16.208 -1.344 -4.971 234 HD11 ILE 29 3HD1 ILE 29 11.850 -2.114 -5.569 235 HD12 ILE 29 1HD1 ILE 29 13.126 -3.236 -6.039 236 HD13 ILE 29 2HD1 ILE 29 11.924 -3.718 -4.841 237 H SER 30 H SER 30 13.728 2.400 -2.712 238 HA SER 30 HA SER 30 15.014 3.646 -5.054 239 HB2 SER 30 2HB SER 30 13.568 5.234 -2.955 240 HB3 SER 30 3HB SER 30 13.900 5.657 -4.634 241 HG SER 30 HG SER 30 12.403 3.970 -5.214 242 H VAL 31 H VAL 31 16.634 5.248 -4.637 243 HA VAL 31 HA VAL 31 18.162 4.652 -2.213 244 HB VAL 31 HB VAL 31 19.126 6.312 -4.531 245 HG11 VAL 31 1HG1 VAL 31 20.351 6.233 -2.314 246 HG12 VAL 31 2HG1 VAL 31 20.694 4.540 -2.674 247 HG13 VAL 31 3HG1 VAL 31 21.293 5.809 -3.743 248 HG21 VAL 31 3HG2 VAL 31 18.900 3.338 -4.299 249 HG22 VAL 31 1HG2 VAL 31 18.558 4.383 -5.678 250 HG23 VAL 31 2HG2 VAL 31 20.227 4.059 -5.209 251 H ILE 32 H ILE 32 17.370 5.905 -0.595 252 HA ILE 32 HA ILE 32 16.612 8.640 -0.978 253 HB ILE 32 HB ILE 32 17.164 7.282 1.657 254 HG12 ILE 32 2HG1 ILE 32 14.440 7.221 1.320 255 HG13 ILE 32 3HG1 ILE 32 15.018 6.856 -0.302 256 HG21 ILE 32 1HG2 ILE 32 16.887 9.764 1.606 257 HG22 ILE 32 2HG2 ILE 32 15.256 9.513 0.987 258 HG23 ILE 32 3HG2 ILE 32 15.692 8.918 2.589 259 HD11 ILE 32 3HD1 ILE 32 15.323 4.762 0.319 260 HD12 ILE 32 1HD1 ILE 32 16.544 5.297 1.473 261 HD13 ILE 32 2HD1 ILE 32 14.859 5.156 1.974 262 H VAL 33 H VAL 33 18.220 9.985 -1.578 263 HA VAL 33 HA VAL 33 20.705 9.968 -0.001 264 HB VAL 33 HB VAL 33 20.273 11.356 -2.644 265 HG11 VAL 33 1HG1 VAL 33 22.766 11.232 -2.713 266 HG12 VAL 33 2HG1 VAL 33 22.126 12.251 -1.422 267 HG13 VAL 33 3HG1 VAL 33 22.730 10.634 -1.055 268 HG21 VAL 33 3HG2 VAL 33 21.122 8.546 -2.041 269 HG22 VAL 33 1HG2 VAL 33 19.960 9.127 -3.233 270 HG23 VAL 33 2HG2 VAL 33 21.687 9.372 -3.493 271 H PHE 34 H PHE 34 21.132 11.606 1.328 272 HA PHE 34 HA PHE 34 19.261 13.816 1.486 273 HB2 PHE 34 2HB PHE 34 19.816 12.896 3.595 274 HB3 PHE 34 3HB PHE 34 21.538 12.885 3.226 275 HD1 PHE 34 HD1 PHE 34 19.218 15.697 2.635 276 HD2 PHE 34 HD2 PHE 34 22.346 14.124 5.055 277 HE1 PHE 34 HE1 PHE 34 19.464 17.885 3.734 278 HE2 PHE 34 HE2 PHE 34 22.596 16.309 6.159 279 HZ PHE 34 HZ PHE 34 21.153 18.193 5.499 280 H THR 35 H THR 35 19.574 15.712 0.544 281 HA THR 35 HA THR 35 22.117 17.001 0.447 282 HB THR 35 HB THR 35 21.557 17.077 -2.280 283 HG1 THR 35 HG1 THR 35 21.758 14.658 -2.627 284 HG21 THR 35 3HG2 THR 35 23.642 15.526 -2.338 285 HG22 THR 35 1HG2 THR 35 23.625 15.723 -0.586 286 HG23 THR 35 2HG2 THR 35 23.787 17.135 -1.630 287 H HIS 36 H HIS 36 21.835 19.151 0.368 288 HA HIS 36 HA HIS 36 19.126 20.145 -0.104 289 HB2 HIS 36 2HB HIS 36 19.829 22.153 1.053 290 HB3 HIS 36 3HB HIS 36 20.296 20.748 2.006 291 HD1 HIS 36 HD1 HIS 36 21.718 23.573 0.022 292 HD2 HIS 36 HD2 HIS 36 23.059 20.338 2.258 293 HE1 HIS 36 HE1 HIS 36 24.179 23.964 0.361 294 HA PRO 37 HA PRO 37 20.089 21.937 -3.999 295 HB2 PRO 37 2HB PRO 37 18.326 24.001 -4.014 296 HB3 PRO 37 3HB PRO 37 17.834 22.316 -4.224 297 HG2 PRO 37 2HG PRO 37 17.744 24.025 -1.767 298 HG3 PRO 37 3HG PRO 37 16.527 22.895 -2.390 299 HD2 PRO 37 2HD PRO 37 18.211 22.253 -0.370 300 HD3 PRO 37 3HD PRO 37 17.616 21.053 -1.535 301 H ASP 38 H ASP 38 20.314 24.318 -4.938 302 HA ASP 38 HA ASP 38 21.708 26.114 -5.087 303 HB2 ASP 38 2HB ASP 38 20.274 27.346 -3.738 304 HB3 ASP 38 3HB ASP 38 20.562 26.330 -2.328 305 H SER 39 H SER 39 23.671 25.149 -5.475 306 HA SER 39 HA SER 39 25.727 25.557 -3.604 307 HB2 SER 39 2HB SER 39 24.461 23.412 -2.760 308 HB3 SER 39 3HB SER 39 25.363 22.616 -4.050 309 HG SER 39 HG SER 39 26.553 24.227 -2.040 310 H LYS 40 H LYS 40 26.651 26.528 -5.412 311 HA LYS 40 HA LYS 40 27.071 25.123 -7.863 312 HB2 LYS 40 2HB LYS 40 28.520 27.054 -8.439 313 HB3 LYS 40 3HB LYS 40 26.921 27.534 -7.887 314 HG2 LYS 40 2HG LYS 40 28.254 27.607 -5.555 315 HG3 LYS 40 3HG LYS 40 29.564 27.992 -6.673 316 HD2 LYS 40 2HD LYS 40 28.424 29.888 -7.507 317 HD3 LYS 40 3HD LYS 40 26.905 29.399 -6.751 318 HE2 LYS 40 2HE LYS 40 27.901 29.755 -4.540 319 HE3 LYS 40 3HE LYS 40 29.411 30.252 -5.302 320 HZ1 LYS 40 3HZ LYS 40 27.495 31.826 -6.461 321 HZ2 LYS 40 1HZ LYS 40 28.590 32.299 -5.261 322 HZ3 LYS 40 2HZ LYS 40 27.043 31.767 -4.832 323 H ARG 41 H ARG 41 29.113 25.928 -5.079 324 HA ARG 41 HA ARG 41 31.477 24.764 -6.138 325 HB2 ARG 41 2HB ARG 41 32.385 25.009 -3.899 326 HB3 ARG 41 3HB ARG 41 31.491 26.457 -4.342 327 HG2 ARG 41 2HG ARG 41 29.949 24.403 -2.906 328 HG3 ARG 41 3HG ARG 41 31.235 25.188 -1.985 329 HD2 ARG 41 2HD ARG 41 29.870 27.205 -3.421 330 HD3 ARG 41 3HD ARG 41 28.648 26.182 -2.667 331 HE ARG 41 HE ARG 41 29.314 26.948 -0.607 332 HH11 ARG 41 1HH1 ARG 41 31.660 27.868 -3.009 333 HH12 ARG 41 2HH1 ARG 41 32.534 28.917 -1.942 334 HH21 ARG 41 2HH2 ARG 41 31.849 29.176 0.229 335 HH22 ARG 41 1HH2 ARG 41 30.456 28.326 0.807 336 H SER 42 H SER 42 28.666 23.463 -4.682 337 HA SER 42 HA SER 42 30.017 20.866 -4.336 338 HB2 SER 42 2HB SER 42 28.681 22.245 -2.397 339 HB3 SER 42 3HB SER 42 27.395 21.219 -3.033 340 HG SER 42 HG SER 42 28.269 19.794 -1.747 341 H LYS 43 H LYS 43 27.885 19.195 -4.197 342 HA LYS 43 HA LYS 43 26.416 18.000 -5.457 343 HB2 LYS 43 2HB LYS 43 25.697 20.788 -5.917 344 HB3 LYS 43 3HB LYS 43 25.281 19.756 -7.279 345 HG2 LYS 43 2HG LYS 43 23.634 18.724 -6.160 346 HG3 LYS 43 3HG LYS 43 24.544 18.685 -4.648 347 HD2 LYS 43 2HD LYS 43 23.035 20.224 -3.989 348 HD3 LYS 43 3HD LYS 43 24.069 21.341 -4.883 349 HE2 LYS 43 2HE LYS 43 22.283 20.110 -6.721 350 HE3 LYS 43 3HE LYS 43 21.344 20.688 -5.345 351 HZ1 LYS 43 3HZ LYS 43 23.170 22.281 -7.058 352 HZ2 LYS 43 1HZ LYS 43 22.467 22.864 -5.634 353 HZ3 LYS 43 2HZ LYS 43 21.488 22.429 -6.943 354 H GLU 44 H GLU 44 29.208 18.888 -6.445 355 HA GLU 44 HA GLU 44 29.039 18.791 -9.298 356 HB2 GLU 44 2HB GLU 44 31.497 18.587 -9.211 357 HB3 GLU 44 3HB GLU 44 30.903 19.920 -8.231 358 HG2 GLU 44 2HG GLU 44 31.094 18.466 -6.232 359 HG3 GLU 44 3HG GLU 44 31.825 17.229 -7.252 360 H ILE 45 H ILE 45 29.817 16.458 -6.756 361 HA ILE 45 HA ILE 45 30.497 14.326 -8.490 362 HB ILE 45 HB ILE 45 30.158 12.868 -6.519 363 HG12 ILE 45 2HG1 ILE 45 29.777 14.322 -4.340 364 HG13 ILE 45 3HG1 ILE 45 28.916 15.372 -5.460 365 HG21 ILE 45 1HG2 ILE 45 31.644 14.900 -5.153 366 HG22 ILE 45 2HG2 ILE 45 32.224 13.434 -5.942 367 HG23 ILE 45 3HG2 ILE 45 32.041 14.922 -6.871 368 HD11 ILE 45 3HD1 ILE 45 27.189 13.959 -5.651 369 HD12 ILE 45 1HD1 ILE 45 28.219 12.528 -5.634 370 HD13 ILE 45 2HD1 ILE 45 27.792 13.325 -4.119 371 H LYS 46 H LYS 46 27.534 15.775 -7.781 372 HA LYS 46 HA LYS 46 25.676 13.764 -7.688 373 HB2 LYS 46 2HB LYS 46 25.583 16.424 -9.105 374 HB3 LYS 46 3HB LYS 46 24.186 15.360 -9.006 375 HG2 LYS 46 2HG LYS 46 25.674 16.405 -6.608 376 HG3 LYS 46 3HG LYS 46 24.239 17.168 -7.297 377 HD2 LYS 46 2HD LYS 46 22.846 15.589 -6.477 378 HD3 LYS 46 3HD LYS 46 24.007 14.284 -6.733 379 HE2 LYS 46 2HE LYS 46 24.965 16.087 -4.711 380 HE3 LYS 46 3HE LYS 46 23.336 15.541 -4.314 381 HZ1 LYS 46 3HZ LYS 46 24.174 13.612 -3.671 382 HZ2 LYS 46 1HZ LYS 46 25.738 14.143 -4.036 383 HZ3 LYS 46 2HZ LYS 46 24.822 13.340 -5.209 384 H GLU 47 H GLU 47 27.254 15.090 -10.575 385 HA GLU 47 HA GLU 47 25.885 13.770 -12.559 386 HB2 GLU 47 2HB GLU 47 27.619 15.423 -13.022 387 HB3 GLU 47 3HB GLU 47 28.853 14.325 -12.422 388 HG2 GLU 47 2HG GLU 47 27.168 13.264 -14.582 389 HG3 GLU 47 3HG GLU 47 28.208 14.617 -15.022 390 H LYS 48 H LYS 48 28.442 12.532 -10.475 391 HA LYS 48 HA LYS 48 29.006 10.133 -11.739 392 HB2 LYS 48 2HB LYS 48 28.821 10.489 -8.746 393 HB3 LYS 48 3HB LYS 48 29.828 9.344 -9.624 394 HG2 LYS 48 2HG LYS 48 30.471 11.940 -10.552 395 HG3 LYS 48 3HG LYS 48 30.448 11.984 -8.788 396 HD2 LYS 48 2HD LYS 48 32.604 11.305 -9.133 397 HD3 LYS 48 3HD LYS 48 31.804 9.733 -9.067 398 HE2 LYS 48 2HE LYS 48 32.673 9.304 -11.069 399 HE3 LYS 48 3HE LYS 48 31.596 10.534 -11.727 400 HZ1 LYS 48 3HZ LYS 48 34.086 10.744 -12.181 401 HZ2 LYS 48 1HZ LYS 48 34.214 11.266 -10.577 402 HZ3 LYS 48 2HZ LYS 48 33.261 12.130 -11.674 403 H LEU 49 H LEU 49 26.444 10.854 -9.392 404 HA LEU 49 HA LEU 49 25.399 8.191 -9.413 405 HB2 LEU 49 2HB LEU 49 25.171 9.828 -7.532 406 HB3 LEU 49 3HB LEU 49 24.018 10.717 -8.526 407 HG LEU 49 HG LEU 49 22.611 8.625 -8.562 408 HD11 LEU 49 1HD1 LEU 49 24.418 7.070 -7.931 409 HD12 LEU 49 2HD1 LEU 49 23.010 6.945 -6.878 410 HD13 LEU 49 3HD1 LEU 49 24.452 7.796 -6.324 411 HD21 LEU 49 3HD2 LEU 49 23.138 10.371 -6.232 412 HD22 LEU 49 1HD2 LEU 49 22.134 8.947 -5.954 413 HD23 LEU 49 2HD2 LEU 49 21.660 10.136 -7.167 414 H LYS 50 H LYS 50 24.779 11.134 -11.191 415 HA LYS 50 HA LYS 50 22.282 10.433 -12.295 416 HB2 LYS 50 2HB LYS 50 24.365 12.452 -12.806 417 HB3 LYS 50 3HB LYS 50 23.398 12.023 -14.211 418 HG2 LYS 50 2HG LYS 50 21.840 12.517 -11.782 419 HG3 LYS 50 3HG LYS 50 22.739 13.915 -12.377 420 HD2 LYS 50 2HD LYS 50 21.319 14.198 -14.071 421 HD3 LYS 50 3HD LYS 50 21.451 12.502 -14.543 422 HE2 LYS 50 2HE LYS 50 19.178 12.843 -14.024 423 HE3 LYS 50 3HE LYS 50 19.859 11.995 -12.636 424 HZ1 LYS 50 3HZ LYS 50 20.195 14.641 -12.048 425 HZ2 LYS 50 1HZ LYS 50 18.999 13.623 -11.418 426 HZ3 LYS 50 2HZ LYS 50 18.664 14.586 -12.767 427 H LYS 51 H LYS 51 25.599 9.930 -13.426 428 HA LYS 51 HA LYS 51 24.891 8.765 -15.910 429 HB2 LYS 51 2HB LYS 51 27.235 9.592 -14.728 430 HB3 LYS 51 3HB LYS 51 27.419 7.843 -14.747 431 HG2 LYS 51 2HG LYS 51 26.847 7.920 -17.196 432 HG3 LYS 51 3HG LYS 51 26.982 9.676 -17.088 433 HD2 LYS 51 2HD LYS 51 29.131 9.263 -17.654 434 HD3 LYS 51 3HD LYS 51 29.301 8.957 -15.924 435 HE2 LYS 51 2HE LYS 51 29.159 6.616 -16.231 436 HE3 LYS 51 3HE LYS 51 28.596 6.794 -17.892 437 HZ1 LYS 51 3HZ LYS 51 31.067 8.085 -17.658 438 HZ2 LYS 51 1HZ LYS 51 30.685 6.712 -18.569 439 HZ3 LYS 51 2HZ LYS 51 31.226 6.546 -16.975 440 H LEU 52 H LEU 52 25.282 7.497 -12.678 441 HA LEU 52 HA LEU 52 25.543 4.779 -13.230 442 HB2 LEU 52 2HB LEU 52 25.855 5.629 -11.008 443 HB3 LEU 52 3HB LEU 52 24.184 6.187 -10.940 444 HG LEU 52 HG LEU 52 24.424 3.313 -11.399 445 HD11 LEU 52 1HD1 LEU 52 25.554 4.526 -8.885 446 HD12 LEU 52 2HD1 LEU 52 26.374 3.462 -10.027 447 HD13 LEU 52 3HD1 LEU 52 25.054 2.842 -9.035 448 HD21 LEU 52 3HD2 LEU 52 22.323 4.404 -10.867 449 HD22 LEU 52 1HD2 LEU 52 22.996 5.008 -9.353 450 HD23 LEU 52 2HD2 LEU 52 22.765 3.275 -9.585 451 H ALA 53 H ALA 53 22.846 6.868 -13.621 452 HA ALA 53 HA ALA 53 20.668 5.193 -13.345 453 HB1 ALA 53 1HB ALA 53 20.882 7.723 -14.043 454 HB2 ALA 53 2HB ALA 53 20.722 7.052 -15.667 455 HB3 ALA 53 3HB ALA 53 19.457 6.774 -14.470 456 H GLU 54 H GLU 54 23.113 5.222 -15.815 457 HA GLU 54 HA GLU 54 21.630 3.617 -17.683 458 HB2 GLU 54 2HB GLU 54 23.425 5.206 -18.367 459 HB3 GLU 54 3HB GLU 54 24.602 4.158 -17.587 460 HG2 GLU 54 2HG GLU 54 24.777 2.973 -19.439 461 HG3 GLU 54 3HG GLU 54 23.067 2.557 -19.340 462 H GLU 55 H GLU 55 23.983 3.056 -15.141 463 HA GLU 55 HA GLU 55 24.610 0.383 -15.761 464 HB2 GLU 55 2HB GLU 55 26.093 1.224 -14.232 465 HB3 GLU 55 3HB GLU 55 24.858 2.129 -13.369 466 HG2 GLU 55 2HG GLU 55 25.797 0.313 -12.026 467 HG3 GLU 55 3HG GLU 55 24.067 0.117 -12.302 468 H PHE 56 H PHE 56 22.056 1.820 -13.793 469 HA PHE 56 HA PHE 56 20.494 -0.602 -14.037 470 HB2 PHE 56 2HB PHE 56 21.977 -0.826 -11.958 471 HB3 PHE 56 3HB PHE 56 20.995 0.458 -11.261 472 HD1 PHE 56 HD1 PHE 56 20.311 -2.651 -13.216 473 HD2 PHE 56 HD2 PHE 56 19.447 -0.312 -9.766 474 HE1 PHE 56 HE1 PHE 56 18.646 -4.318 -12.506 475 HE2 PHE 56 HE2 PHE 56 17.782 -1.976 -9.051 476 HZ PHE 56 HZ PHE 56 17.380 -3.983 -10.421 477 HA PRO 57 HA PRO 57 18.099 3.365 -14.174 478 HB2 PRO 57 2HB PRO 57 16.692 2.703 -16.400 479 HB3 PRO 57 3HB PRO 57 18.285 3.468 -16.462 480 HG2 PRO 57 2HG PRO 57 17.555 0.582 -16.782 481 HG3 PRO 57 3HG PRO 57 18.703 1.557 -17.719 482 HD2 PRO 57 2HD PRO 57 19.491 -0.146 -15.766 483 HD3 PRO 57 3HD PRO 57 20.361 1.358 -16.130 484 H ASP 58 H ASP 58 17.472 0.067 -13.770 485 HA ASP 58 HA ASP 58 14.631 0.100 -13.713 486 HB2 ASP 58 2HB ASP 58 15.380 -2.058 -13.909 487 HB3 ASP 58 3HB ASP 58 16.769 -1.786 -12.861 488 H VAL 59 H VAL 59 17.117 0.853 -11.385 489 HA VAL 59 HA VAL 59 15.304 0.897 -9.138 490 HB VAL 59 HB VAL 59 17.738 0.327 -8.925 491 HG11 VAL 59 1HG1 VAL 59 18.557 3.123 -8.747 492 HG12 VAL 59 2HG1 VAL 59 19.378 1.744 -9.480 493 HG13 VAL 59 3HG1 VAL 59 18.137 2.615 -10.382 494 HG21 VAL 59 3HG2 VAL 59 18.007 1.406 -6.797 495 HG22 VAL 59 1HG2 VAL 59 16.878 2.682 -7.251 496 HG23 VAL 59 2HG2 VAL 59 16.297 1.033 -7.019 497 H ASP 60 H ASP 60 14.798 2.781 -7.905 498 HA ASP 60 HA ASP 60 14.430 5.138 -9.591 499 HB2 ASP 60 2HB ASP 60 12.399 4.572 -8.589 500 HB3 ASP 60 3HB ASP 60 13.160 4.155 -7.056 501 H ILE 61 H ILE 61 15.377 7.068 -9.228 502 HA ILE 61 HA ILE 61 17.067 7.330 -6.829 503 HB ILE 61 HB ILE 61 17.785 8.505 -9.508 504 HG12 ILE 61 2HG1 ILE 61 19.583 6.445 -8.956 505 HG13 ILE 61 3HG1 ILE 61 18.005 5.755 -8.592 506 HG21 ILE 61 1HG2 ILE 61 19.700 9.236 -8.538 507 HG22 ILE 61 2HG2 ILE 61 18.683 9.214 -7.098 508 HG23 ILE 61 3HG2 ILE 61 19.784 7.875 -7.420 509 HD11 ILE 61 3HD1 ILE 61 17.670 5.416 -10.744 510 HD12 ILE 61 1HD1 ILE 61 17.786 7.150 -11.041 511 HD13 ILE 61 2HD1 ILE 61 19.233 6.144 -11.112 512 H TYR 62 H TYR 62 16.067 8.791 -5.595 513 HA TYR 62 HA TYR 62 15.316 11.349 -6.835 514 HB2 TYR 62 2HB TYR 62 13.294 11.478 -5.609 515 HB3 TYR 62 3HB TYR 62 13.327 9.854 -6.287 516 HD1 TYR 62 HD1 TYR 62 12.712 11.706 -3.389 517 HD2 TYR 62 HD2 TYR 62 14.448 8.044 -4.684 518 HE1 TYR 62 HE1 TYR 62 12.396 10.767 -1.137 519 HE2 TYR 62 HE2 TYR 62 14.136 7.094 -2.437 520 HH TYR 62 HH TYR 62 12.139 8.182 -0.241 521 H LEU 63 H LEU 63 15.709 13.182 -5.628 522 HA LEU 63 HA LEU 63 17.563 12.822 -3.409 523 HB2 LEU 63 2HB LEU 63 16.912 14.996 -5.312 524 HB3 LEU 63 3HB LEU 63 17.485 15.476 -3.715 525 HG LEU 63 HG LEU 63 19.545 14.215 -4.066 526 HD11 LEU 63 1HD1 LEU 63 19.813 13.583 -6.643 527 HD12 LEU 63 2HD1 LEU 63 18.083 13.288 -6.465 528 HD13 LEU 63 3HD1 LEU 63 19.233 12.437 -5.433 529 HD21 LEU 63 3HD2 LEU 63 20.128 16.262 -4.762 530 HD22 LEU 63 1HD2 LEU 63 18.678 16.444 -5.750 531 HD23 LEU 63 2HD2 LEU 63 20.070 15.564 -6.381 532 H VAL 64 H VAL 64 17.321 13.872 -1.395 533 HA VAL 64 HA VAL 64 14.574 14.734 -0.767 534 HB VAL 64 HB VAL 64 16.336 13.157 1.108 535 HG11 VAL 64 1HG1 VAL 64 14.776 14.491 2.310 536 HG12 VAL 64 2HG1 VAL 64 13.462 14.050 1.218 537 HG13 VAL 64 3HG1 VAL 64 14.151 12.842 2.304 538 HG21 VAL 64 3HG2 VAL 64 14.289 12.268 -0.880 539 HG22 VAL 64 1HG2 VAL 64 15.852 11.554 -0.481 540 HG23 VAL 64 2HG2 VAL 64 14.493 11.378 0.629 541 H ASP 65 H ASP 65 14.354 16.479 0.560 542 HA ASP 65 HA ASP 65 16.848 17.823 1.366 543 HB2 ASP 65 2HB ASP 65 15.111 19.845 1.434 544 HB3 ASP 65 3HB ASP 65 15.933 19.370 -0.050 545 H THR 66 H THR 66 17.224 18.046 3.465 546 HA THR 66 HA THR 66 15.572 16.997 5.455 547 HB THR 66 HB THR 66 17.046 18.585 6.969 548 HG1 THR 66 HG1 THR 66 19.061 18.982 5.797 549 HG21 THR 66 3HG2 THR 66 17.333 16.215 6.994 550 HG22 THR 66 1HG2 THR 66 18.926 16.929 6.743 551 HG23 THR 66 2HG2 THR 66 18.051 16.225 5.383 552 H SER 67 H SER 67 15.466 20.030 3.864 553 HA SER 67 HA SER 67 14.423 21.754 5.739 554 HB2 SER 67 2HB SER 67 14.923 22.041 3.162 555 HB3 SER 67 3HB SER 67 13.197 21.716 3.010 556 HG SER 67 HG SER 67 12.764 23.497 4.267 557 H THR 68 H THR 68 12.891 19.047 4.170 558 HA THR 68 HA THR 68 10.334 19.719 5.460 559 HB THR 68 HB THR 68 9.595 17.680 3.938 560 HG1 THR 68 HG1 THR 68 10.941 18.176 1.879 561 HG21 THR 68 3HG2 THR 68 9.528 20.499 3.715 562 HG22 THR 68 1HG2 THR 68 8.435 19.324 2.984 563 HG23 THR 68 2HG2 THR 68 9.870 19.857 2.108 564 H ASN 69 H ASN 69 12.959 17.476 5.451 565 HA ASN 69 HA ASN 69 11.567 15.876 7.496 566 HB2 ASN 69 2HB ASN 69 13.247 14.035 6.640 567 HB3 ASN 69 3HB ASN 69 11.720 14.309 5.807 568 HD21 ASN 69 2HD2 ASN 69 13.160 15.594 2.886 569 HD22 ASN 69 1HD2 ASN 69 11.729 15.488 3.849 570 HA PRO 70 HA PRO 70 15.531 17.777 9.123 571 HB2 PRO 70 2HB PRO 70 14.391 18.983 11.272 572 HB3 PRO 70 3HB PRO 70 14.521 19.762 9.690 573 HG2 PRO 70 2HG PRO 70 12.179 18.367 10.927 574 HG3 PRO 70 3HG PRO 70 12.222 19.888 10.016 575 HD2 PRO 70 2HD PRO 70 11.445 17.544 8.904 576 HD3 PRO 70 3HD PRO 70 12.276 18.811 7.979 577 H GLU 71 H GLU 71 12.795 16.470 11.002 578 HA GLU 71 HA GLU 71 14.233 15.528 13.186 579 HB2 GLU 71 2HB GLU 71 11.634 14.755 11.924 580 HB3 GLU 71 3HB GLU 71 12.293 13.748 13.206 581 HG2 GLU 71 2HG GLU 71 11.615 15.163 14.765 582 HG3 GLU 71 3HG GLU 71 12.383 16.524 13.950 583 H ALA 72 H ALA 72 13.697 14.081 10.031 584 HA ALA 72 HA ALA 72 14.476 11.472 10.474 585 HB1 ALA 72 1HB ALA 72 15.602 12.384 7.999 586 HB2 ALA 72 2HB ALA 72 14.203 11.346 8.275 587 HB3 ALA 72 3HB ALA 72 14.007 13.099 8.238 588 H ARG 73 H ARG 73 16.534 14.289 9.818 589 HA ARG 73 HA ARG 73 18.991 13.031 9.637 590 HB2 ARG 73 2HB ARG 73 18.039 15.697 9.945 591 HB3 ARG 73 3HB ARG 73 19.345 15.454 11.097 592 HG2 ARG 73 2HG ARG 73 19.981 14.393 8.473 593 HG3 ARG 73 3HG ARG 73 19.608 16.118 8.437 594 HD2 ARG 73 2HD ARG 73 21.648 14.755 10.191 595 HD3 ARG 73 3HD ARG 73 21.983 15.776 8.793 596 HE ARG 73 HE ARG 73 20.440 17.076 10.843 597 HH11 ARG 73 1HH1 ARG 73 23.641 16.305 9.713 598 HH12 ARG 73 2HH1 ARG 73 24.394 17.627 10.543 599 HH21 ARG 73 2HH2 ARG 73 23.129 19.056 11.810 600 HH22 ARG 73 1HH2 ARG 73 21.419 18.820 11.940 601 H GLU 74 H GLU 74 17.760 14.638 12.579 602 HA GLU 74 HA GLU 74 19.679 13.551 14.304 603 HB2 GLU 74 2HB GLU 74 16.940 14.708 14.762 604 HB3 GLU 74 3HB GLU 74 17.905 14.089 16.095 605 HG2 GLU 74 2HG GLU 74 18.256 16.424 16.003 606 HG3 GLU 74 3HG GLU 74 19.722 15.657 15.395 607 H TRP 75 H TRP 75 16.755 12.228 13.015 608 HA TRP 75 HA TRP 75 16.061 10.311 14.873 609 HB2 TRP 75 2HB TRP 75 15.009 10.914 12.562 610 HB3 TRP 75 3HB TRP 75 16.060 9.641 11.947 611 HD1 TRP 75 HD1 TRP 75 13.764 9.779 15.087 612 HE1 TRP 75 HE1 TRP 75 12.292 7.667 15.073 613 HE3 TRP 75 HE3 TRP 75 15.398 7.679 10.721 614 HZ2 TRP 75 HZ2 TRP 75 11.879 5.410 13.429 615 HZ3 TRP 75 HZ3 TRP 75 14.414 5.542 10.000 616 HH2 TRP 75 HH2 TRP 75 12.691 4.433 11.327 617 H TYR 76 H TYR 76 18.699 10.291 12.559 618 HA TYR 76 HA TYR 76 19.683 7.812 13.808 619 HB2 TYR 76 2HB TYR 76 18.793 7.445 11.485 620 HB3 TYR 76 3HB TYR 76 20.045 8.532 10.894 621 HD1 TYR 76 HD1 TYR 76 21.489 7.194 9.655 622 HD2 TYR 76 HD2 TYR 76 20.237 5.875 13.501 623 HE1 TYR 76 HE1 TYR 76 23.064 5.310 9.515 624 HE2 TYR 76 HE2 TYR 76 21.809 3.989 13.373 625 HH TYR 76 HH TYR 76 23.289 2.907 12.121 626 H ASN 77 H ASN 77 20.185 10.973 13.623 627 HA ASN 77 HA ASN 77 21.963 12.385 13.821 628 HB2 ASN 77 2HB ASN 77 22.394 11.310 15.880 629 HB3 ASN 77 3HB ASN 77 22.999 9.857 15.090 630 HD21 ASN 77 2HD2 ASN 77 25.438 13.139 14.935 631 HD22 ASN 77 1HD2 ASN 77 23.741 13.293 14.646 632 H ILE 78 H ILE 78 22.351 12.737 11.624 633 HA ILE 78 HA ILE 78 24.452 11.098 10.386 634 HB ILE 78 HB ILE 78 22.419 12.966 9.178 635 HG12 ILE 78 2HG1 ILE 78 22.613 10.359 7.985 636 HG13 ILE 78 3HG1 ILE 78 22.442 10.192 9.728 637 HG21 ILE 78 1HG2 ILE 78 24.799 11.645 7.892 638 HG22 ILE 78 2HG2 ILE 78 23.435 12.299 6.986 639 HG23 ILE 78 3HG2 ILE 78 24.432 13.369 7.972 640 HD11 ILE 78 3HD1 ILE 78 20.295 10.729 9.650 641 HD12 ILE 78 1HD1 ILE 78 20.608 12.151 8.655 642 HD13 ILE 78 2HD1 ILE 78 20.413 10.569 7.898 643 H THR 79 H THR 79 26.382 11.943 9.807 644 HA THR 79 HA THR 79 26.856 14.765 10.502 645 HB THR 79 HB THR 79 29.273 14.091 10.682 646 HG1 THR 79 HG1 THR 79 29.801 11.965 10.603 647 HG21 THR 79 3HG2 THR 79 28.709 12.553 12.798 648 HG22 THR 79 1HG2 THR 79 27.095 13.186 12.478 649 HG23 THR 79 2HG2 THR 79 28.432 14.295 12.787 650 H SER 80 H SER 80 26.898 12.456 7.966 651 HA SER 80 HA SER 80 28.386 14.309 6.229 652 HB2 SER 80 2HB SER 80 27.829 11.670 5.105 653 HB3 SER 80 3HB SER 80 29.360 12.534 5.242 654 HG SER 80 HG SER 80 28.076 11.022 7.272 655 H VAL 81 H VAL 81 26.930 15.661 5.353 656 HA VAL 81 HA VAL 81 24.289 15.447 4.906 657 HB VAL 81 HB VAL 81 25.425 16.545 2.498 658 HG11 VAL 81 1HG1 VAL 81 24.162 17.846 4.910 659 HG12 VAL 81 2HG1 VAL 81 24.382 18.590 3.325 660 HG13 VAL 81 3HG1 VAL 81 23.298 17.210 3.510 661 HG21 VAL 81 3HG2 VAL 81 26.872 18.239 3.476 662 HG22 VAL 81 1HG2 VAL 81 26.658 17.521 5.073 663 HG23 VAL 81 2HG2 VAL 81 27.501 16.626 3.808 664 HA PRO 82 HA PRO 82 24.853 13.230 0.649 665 HB2 PRO 82 2HB PRO 82 27.329 12.288 0.054 666 HB3 PRO 82 3HB PRO 82 26.792 13.916 -0.375 667 HG2 PRO 82 2HG PRO 82 28.480 13.025 1.931 668 HG3 PRO 82 3HG PRO 82 28.689 14.429 0.868 669 HD2 PRO 82 2HD PRO 82 27.609 14.622 3.344 670 HD3 PRO 82 3HD PRO 82 27.120 15.679 2.004 671 H THR 83 H THR 83 23.756 11.881 2.375 672 HA THR 83 HA THR 83 25.272 9.487 3.111 673 HB THR 83 HB THR 83 22.500 9.528 3.993 674 HG1 THR 83 HG1 THR 83 22.548 11.367 5.183 675 HG21 THR 83 3HG2 THR 83 23.788 9.427 6.242 676 HG22 THR 83 1HG2 THR 83 25.217 9.246 5.226 677 HG23 THR 83 2HG2 THR 83 23.910 8.066 5.127 678 H PHE 84 H PHE 84 24.123 7.375 2.931 679 HA PHE 84 HA PHE 84 22.348 7.252 0.593 680 HB2 PHE 84 2HB PHE 84 25.013 6.013 0.939 681 HB3 PHE 84 3HB PHE 84 23.764 4.971 0.263 682 HD1 PHE 84 HD1 PHE 84 26.395 6.844 -0.680 683 HD2 PHE 84 HD2 PHE 84 22.230 6.523 -1.497 684 HE1 PHE 84 HE1 PHE 84 26.754 7.859 -2.893 685 HE2 PHE 84 HE2 PHE 84 22.582 7.537 -3.711 686 HZ PHE 84 HZ PHE 84 24.847 8.206 -4.412 687 H VAL 85 H VAL 85 20.497 6.570 1.483 688 HA VAL 85 HA VAL 85 20.606 4.293 3.349 689 HB VAL 85 HB VAL 85 18.193 6.045 3.056 690 HG11 VAL 85 1HG1 VAL 85 19.233 4.742 5.545 691 HG12 VAL 85 2HG1 VAL 85 17.582 5.216 5.144 692 HG13 VAL 85 3HG1 VAL 85 18.317 3.822 4.353 693 HG21 VAL 85 3HG2 VAL 85 20.785 6.765 4.275 694 HG22 VAL 85 1HG2 VAL 85 19.513 7.794 3.615 695 HG23 VAL 85 2HG2 VAL 85 19.346 7.115 5.234 696 H ILE 86 H ILE 86 19.605 2.438 2.832 697 HA ILE 86 HA ILE 86 18.041 2.393 0.335 698 HB ILE 86 HB ILE 86 19.281 -0.075 1.481 699 HG12 ILE 86 2HG1 ILE 86 20.720 1.940 -0.259 700 HG13 ILE 86 3HG1 ILE 86 21.091 1.595 1.427 701 HG21 ILE 86 1HG2 ILE 86 18.566 0.870 -1.287 702 HG22 ILE 86 2HG2 ILE 86 19.422 -0.634 -0.953 703 HG23 ILE 86 3HG2 ILE 86 17.783 -0.400 -0.347 704 HD11 ILE 86 3HD1 ILE 86 22.643 0.263 0.497 705 HD12 ILE 86 1HD1 ILE 86 21.296 -0.873 0.410 706 HD13 ILE 86 2HD1 ILE 86 21.742 0.077 -1.008 707 H GLU 87 H GLU 87 15.980 1.771 0.428 708 HA GLU 87 HA GLU 87 15.070 0.158 2.701 709 HB2 GLU 87 2HB GLU 87 13.131 1.576 3.047 710 HB3 GLU 87 3HB GLU 87 14.601 2.523 3.229 711 HG2 GLU 87 2HG GLU 87 13.279 3.928 1.987 712 HG3 GLU 87 3HG GLU 87 14.224 3.122 0.737 713 H LYS 88 H LYS 88 13.473 -1.291 2.238 714 HA LYS 88 HA LYS 88 12.493 -1.326 -0.542 715 HB2 LYS 88 2HB LYS 88 14.116 -3.120 -0.136 716 HB3 LYS 88 3HB LYS 88 13.161 -3.685 1.229 717 HG2 LYS 88 2HG LYS 88 11.354 -3.654 -0.857 718 HG3 LYS 88 3HG LYS 88 12.852 -4.216 -1.602 719 HD2 LYS 88 2HD LYS 88 13.049 -5.882 0.258 720 HD3 LYS 88 3HD LYS 88 11.436 -5.396 0.784 721 HE2 LYS 88 2HE LYS 88 10.409 -6.367 -1.016 722 HE3 LYS 88 3HE LYS 88 11.813 -6.168 -2.063 723 HZ1 LYS 88 3HZ LYS 88 12.170 -7.966 0.185 724 HZ2 LYS 88 1HZ LYS 88 12.676 -8.125 -1.421 725 HZ3 LYS 88 2HZ LYS 88 11.081 -8.494 -0.996 726 H GLY 89 H GLY 89 10.757 0.011 0.525 727 HA2 GLY 89 2HA GLY 89 8.663 0.233 1.464 728 HA3 GLY 89 3HA GLY 89 8.369 -1.306 0.669 729 H GLY 90 H GLY 90 10.528 -0.590 3.391 730 HA2 GLY 90 2HA GLY 90 8.751 -1.691 5.348 731 HA3 GLY 90 3HA GLY 90 9.995 -2.838 4.874 732 H GLU 91 H GLU 91 12.127 -2.489 5.479 733 HA GLU 91 HA GLU 91 12.619 -0.185 7.239 734 HB2 GLU 91 2HB GLU 91 14.126 -1.982 8.491 735 HB3 GLU 91 3HB GLU 91 12.436 -1.733 8.906 736 HG2 GLU 91 2HG GLU 91 11.757 -3.691 7.895 737 HG3 GLU 91 3HG GLU 91 13.178 -3.768 6.855 738 HA PRO 92 HA PRO 92 16.441 0.364 5.160 739 HB2 PRO 92 2HB PRO 92 18.130 1.046 7.174 740 HB3 PRO 92 3HB PRO 92 16.861 2.123 6.579 741 HG2 PRO 92 2HG PRO 92 16.862 0.348 8.990 742 HG3 PRO 92 3HG PRO 92 16.279 2.015 8.828 743 HD2 PRO 92 2HD PRO 92 14.614 -0.121 8.797 744 HD3 PRO 92 3HD PRO 92 14.288 1.358 7.871 745 H LEU 93 H LEU 93 17.467 -1.324 4.281 746 HA LEU 93 HA LEU 93 18.658 -3.347 6.045 747 HB2 LEU 93 2HB LEU 93 17.017 -3.951 4.184 748 HB3 LEU 93 3HB LEU 93 18.326 -3.565 3.068 749 HG LEU 93 HG LEU 93 19.698 -5.331 4.116 750 HD11 LEU 93 1HD1 LEU 93 18.691 -5.324 6.330 751 HD12 LEU 93 2HD1 LEU 93 18.633 -6.937 5.621 752 HD13 LEU 93 3HD1 LEU 93 17.180 -5.939 5.659 753 HD21 LEU 93 3HD2 LEU 93 18.883 -6.488 2.404 754 HD22 LEU 93 1HD2 LEU 93 17.322 -5.677 2.525 755 HD23 LEU 93 2HD2 LEU 93 17.645 -7.117 3.492 756 H GLY 94 H GLY 94 19.408 -0.836 3.804 757 HA2 GLY 94 2HA GLY 94 22.262 -1.586 3.976 758 HA3 GLY 94 3HA GLY 94 21.558 -0.901 2.519 759 H GLU 95 H GLU 95 23.787 0.140 3.987 760 HA GLU 95 HA GLU 95 22.979 2.863 4.156 761 HB2 GLU 95 2HB GLU 95 23.287 3.307 6.462 762 HB3 GLU 95 3HB GLU 95 22.218 1.914 6.378 763 HG2 GLU 95 2HG GLU 95 24.680 0.739 6.496 764 HG3 GLU 95 3HG GLU 95 24.893 2.164 7.512 765 H VAL 96 H VAL 96 24.703 4.250 4.006 766 HA VAL 96 HA VAL 96 27.401 3.255 4.448 767 HB VAL 96 HB VAL 96 26.528 4.272 1.740 768 HG11 VAL 96 1HG1 VAL 96 29.186 3.811 2.988 769 HG12 VAL 96 2HG1 VAL 96 28.984 3.414 1.280 770 HG13 VAL 96 3HG1 VAL 96 28.671 5.054 1.849 771 HG21 VAL 96 3HG2 VAL 96 27.397 1.538 2.668 772 HG22 VAL 96 1HG2 VAL 96 25.819 1.998 2.028 773 HG23 VAL 96 2HG2 VAL 96 27.235 2.008 0.976 774 H LYS 97 H LYS 97 28.937 4.878 4.719 775 HA LYS 97 HA LYS 97 27.954 7.647 4.609 776 HB2 LYS 97 2HB LYS 97 29.677 6.638 6.865 777 HB3 LYS 97 3HB LYS 97 28.796 8.156 6.764 778 HG2 LYS 97 2HG LYS 97 27.184 7.189 7.935 779 HG3 LYS 97 3HG LYS 97 26.841 6.199 6.515 780 HD2 LYS 97 2HD LYS 97 27.299 4.444 7.824 781 HD3 LYS 97 3HD LYS 97 28.991 4.917 7.658 782 HE2 LYS 97 2HE LYS 97 29.106 5.730 9.765 783 HE3 LYS 97 3HE LYS 97 27.452 6.336 9.735 784 HZ1 LYS 97 3HZ LYS 97 28.456 3.716 10.534 785 HZ2 LYS 97 1HZ LYS 97 26.959 3.753 9.746 786 HZ3 LYS 97 2HZ LYS 97 27.184 4.629 11.175 787 H GLY 98 H GLY 98 29.150 8.097 2.767 788 HA2 GLY 98 2HA GLY 98 31.542 9.265 2.848 789 HA3 GLY 98 3HA GLY 98 32.016 7.575 2.772 790 HA PRO 99 HA PRO 99 30.957 9.490 -1.489 791 HB2 PRO 99 2HB PRO 99 33.455 10.143 -2.329 792 HB3 PRO 99 3HB PRO 99 32.402 11.276 -1.474 793 HG2 PRO 99 2HG PRO 99 34.654 9.614 -0.413 794 HG3 PRO 99 3HG PRO 99 34.256 11.307 -0.071 795 HD2 PRO 99 2HD PRO 99 33.619 9.291 1.621 796 HD3 PRO 99 3HD PRO 99 32.617 10.747 1.449 797 H ASP 100 H ASP 100 30.476 7.386 -2.116 798 HA ASP 100 HA ASP 100 32.681 5.959 -3.394 799 HB2 ASP 100 2HB ASP 100 32.022 3.811 -2.462 800 HB3 ASP 100 3HB ASP 100 32.406 4.932 -1.158 801 H ILE 101 H ILE 101 30.988 7.429 -4.815 802 HA ILE 101 HA ILE 101 28.554 6.313 -5.594 803 HB ILE 101 HB ILE 101 30.512 8.007 -7.138 804 HG12 ILE 101 2HG1 ILE 101 29.406 9.031 -5.169 805 HG13 ILE 101 3HG1 ILE 101 28.935 9.801 -6.680 806 HG21 ILE 101 1HG2 ILE 101 28.026 6.686 -8.014 807 HG22 ILE 101 2HG2 ILE 101 28.196 8.386 -8.449 808 HG23 ILE 101 3HG2 ILE 101 29.421 7.221 -8.951 809 HD11 ILE 101 3HD1 ILE 101 27.330 7.871 -5.030 810 HD12 ILE 101 1HD1 ILE 101 26.993 9.575 -5.337 811 HD13 ILE 101 2HD1 ILE 101 26.869 8.400 -6.648 812 H ASP 102 H ASP 102 31.818 5.458 -6.442 813 HA ASP 102 HA ASP 102 31.090 3.843 -8.707 814 HB2 ASP 102 2HB ASP 102 33.590 4.514 -7.258 815 HB3 ASP 102 3HB ASP 102 33.566 2.969 -8.104 816 H LYS 103 H LYS 103 31.570 3.353 -5.284 817 HA LYS 103 HA LYS 103 31.492 0.462 -5.520 818 HB2 LYS 103 2HB LYS 103 32.758 1.981 -3.755 819 HB3 LYS 103 3HB LYS 103 31.228 1.860 -2.896 820 HG2 LYS 103 2HG LYS 103 31.393 -0.530 -2.816 821 HG3 LYS 103 3HG LYS 103 32.826 -0.507 -3.847 822 HD2 LYS 103 2HD LYS 103 33.977 -0.542 -1.923 823 HD3 LYS 103 3HD LYS 103 33.555 1.168 -1.810 824 HE2 LYS 103 2HE LYS 103 31.912 0.797 -0.249 825 HE3 LYS 103 3HE LYS 103 31.626 -0.858 -0.785 826 HZ1 LYS 103 3HZ LYS 103 34.245 -0.308 0.355 827 HZ2 LYS 103 1HZ LYS 103 33.245 -1.661 0.537 828 HZ3 LYS 103 2HZ LYS 103 32.943 -0.259 1.433 829 H LEU 104 H LEU 104 29.289 3.046 -5.142 830 HA LEU 104 HA LEU 104 27.246 1.916 -3.636 831 HB2 LEU 104 2HB LEU 104 27.296 4.255 -4.364 832 HB3 LEU 104 3HB LEU 104 27.000 3.741 -6.024 833 HG LEU 104 HG LEU 104 24.871 2.649 -4.686 834 HD11 LEU 104 1HD1 LEU 104 25.821 5.047 -3.228 835 HD12 LEU 104 2HD1 LEU 104 24.941 3.635 -2.643 836 HD13 LEU 104 3HD1 LEU 104 24.088 4.903 -3.523 837 HD21 LEU 104 3HD2 LEU 104 24.551 5.416 -5.680 838 HD22 LEU 104 1HD2 LEU 104 23.653 3.952 -6.081 839 HD23 LEU 104 2HD2 LEU 104 25.235 4.240 -6.804 840 H ARG 105 H ARG 105 28.299 1.195 -6.849 841 HA ARG 105 HA ARG 105 25.899 -0.065 -7.740 842 HB2 ARG 105 2HB ARG 105 27.157 -0.780 -9.631 843 HB3 ARG 105 3HB ARG 105 27.725 0.834 -9.225 844 HG2 ARG 105 2HG ARG 105 29.566 -0.385 -7.899 845 HG3 ARG 105 3HG ARG 105 29.100 -1.794 -8.853 846 HD2 ARG 105 2HD ARG 105 29.393 -0.314 -10.898 847 HD3 ARG 105 3HD ARG 105 30.178 0.840 -9.822 848 HE ARG 105 HE ARG 105 31.498 -1.493 -9.360 849 HH11 ARG 105 1HH1 ARG 105 30.781 0.381 -12.205 850 HH12 ARG 105 2HH1 ARG 105 32.213 -0.109 -13.048 851 HH21 ARG 105 2HH2 ARG 105 33.694 -1.547 -12.054 852 HH22 ARG 105 1HH2 ARG 105 33.387 -2.145 -10.459 853 H GLU 106 H GLU 106 28.756 -1.115 -6.010 854 HA GLU 106 HA GLU 106 27.928 -3.909 -6.149 855 HB2 GLU 106 2HB GLU 106 30.040 -4.415 -5.076 856 HB3 GLU 106 3HB GLU 106 30.314 -3.334 -6.435 857 HG2 GLU 106 2HG GLU 106 30.751 -1.508 -5.050 858 HG3 GLU 106 3HG GLU 106 30.028 -2.288 -3.644 859 H THR 107 H THR 107 27.777 -1.198 -4.036 860 HA THR 107 HA THR 107 27.356 -2.732 -1.630 861 HB THR 107 HB THR 107 26.630 0.168 -1.916 862 HG1 THR 107 HG1 THR 107 28.872 0.597 -1.419 863 HG21 THR 107 3HG2 THR 107 28.022 -0.282 0.440 864 HG22 THR 107 1HG2 THR 107 27.041 -1.732 0.241 865 HG23 THR 107 2HG2 THR 107 26.273 -0.145 0.269 866 H LEU 108 H LEU 108 25.385 -1.161 -4.066 867 HA LEU 108 HA LEU 108 22.935 -1.560 -2.574 868 HB2 LEU 108 2HB LEU 108 21.951 -0.187 -4.071 869 HB3 LEU 108 3HB LEU 108 23.622 0.298 -4.352 870 HG LEU 108 HG LEU 108 23.465 -1.610 -6.194 871 HD11 LEU 108 1HD1 LEU 108 20.641 -0.843 -5.601 872 HD12 LEU 108 2HD1 LEU 108 21.320 -2.426 -5.980 873 HD13 LEU 108 3HD1 LEU 108 21.123 -1.223 -7.254 874 HD21 LEU 108 3HD2 LEU 108 23.967 0.241 -7.317 875 HD22 LEU 108 1HD2 LEU 108 23.134 1.254 -6.138 876 HD23 LEU 108 2HD2 LEU 108 22.235 0.539 -7.477 877 H ASP 109 H ASP 109 24.809 -3.224 -4.944 878 HA ASP 109 HA ASP 109 22.700 -4.868 -5.962 879 HB2 ASP 109 2HB ASP 109 24.427 -4.806 -7.475 880 HB3 ASP 109 3HB ASP 109 25.665 -4.778 -6.223 881 H GLU 110 H GLU 110 25.380 -5.437 -3.687 882 HA GLU 110 HA GLU 110 24.819 -8.074 -3.043 883 HB2 GLU 110 2HB GLU 110 25.908 -5.925 -1.217 884 HB3 GLU 110 3HB GLU 110 26.025 -7.657 -0.938 885 HG2 GLU 110 2HG GLU 110 27.098 -6.579 -3.485 886 HG3 GLU 110 3HG GLU 110 28.001 -6.275 -2.003 887 H LEU 111 H LEU 111 23.137 -5.193 -2.167 888 HA LEU 111 HA LEU 111 21.637 -6.551 -0.059 889 HB2 LEU 111 2HB LEU 111 22.207 -4.409 0.630 890 HB3 LEU 111 3HB LEU 111 21.899 -3.712 -0.959 891 HG LEU 111 HG LEU 111 19.579 -4.815 0.530 892 HD11 LEU 111 1HD1 LEU 111 21.262 -2.573 1.464 893 HD12 LEU 111 2HD1 LEU 111 20.201 -3.654 2.368 894 HD13 LEU 111 3HD1 LEU 111 19.518 -2.308 1.455 895 HD21 LEU 111 3HD2 LEU 111 18.731 -2.527 -0.446 896 HD22 LEU 111 1HD2 LEU 111 18.910 -3.944 -1.480 897 HD23 LEU 111 2HD2 LEU 111 20.152 -2.692 -1.479 898 H LEU 112 H LEU 112 21.046 -4.822 -3.110 899 HA LEU 112 HA LEU 112 18.280 -5.276 -3.223 900 HB2 LEU 112 2HB LEU 112 19.655 -3.672 -4.611 901 HB3 LEU 112 3HB LEU 112 20.110 -5.057 -5.601 902 HG LEU 112 HG LEU 112 17.802 -5.377 -6.269 903 HD11 LEU 112 1HD1 LEU 112 16.382 -4.777 -4.594 904 HD12 LEU 112 2HD1 LEU 112 16.277 -3.325 -5.588 905 HD13 LEU 112 3HD1 LEU 112 17.315 -3.344 -4.162 906 HD21 LEU 112 3HD2 LEU 112 19.149 -2.764 -6.656 907 HD22 LEU 112 1HD2 LEU 112 17.481 -2.913 -7.210 908 HD23 LEU 112 2HD2 LEU 112 18.718 -4.005 -7.833 909 H ALA 113 H ALA 113 20.939 -7.374 -3.761 910 HA ALA 113 HA ALA 113 19.918 -9.206 -5.585 911 HB1 ALA 113 1HB ALA 113 21.739 -9.653 -3.226 912 HB2 ALA 113 2HB ALA 113 21.425 -10.851 -4.483 913 HB3 ALA 113 3HB ALA 113 22.210 -9.326 -4.894 914 H ARG 114 H ARG 114 19.056 -8.638 -2.280 915 HA ARG 114 HA ARG 114 17.954 -11.089 -1.559 916 HB2 ARG 114 2HB ARG 114 18.177 -8.654 -0.361 917 HB3 ARG 114 3HB ARG 114 16.449 -8.712 -0.680 918 HG2 ARG 114 2HG ARG 114 16.170 -9.974 1.112 919 HG3 ARG 114 3HG ARG 114 17.191 -11.219 0.391 920 HD2 ARG 114 2HD ARG 114 19.085 -10.490 1.496 921 HD3 ARG 114 3HD ARG 114 18.451 -8.861 1.721 922 HE ARG 114 HE ARG 114 16.807 -10.492 3.195 923 HH11 ARG 114 1HH1 ARG 114 20.213 -9.775 3.115 924 HH12 ARG 114 2HH1 ARG 114 20.447 -10.067 4.806 925 HH21 ARG 114 2HH2 ARG 114 18.678 -10.695 6.119 926 HH22 ARG 114 1HH2 ARG 114 17.103 -10.879 5.424 927 H LEU 115 H LEU 115 16.448 -8.349 -3.242 928 HA LEU 115 HA LEU 115 13.958 -9.776 -3.577 929 HB2 LEU 115 2HB LEU 115 13.714 -7.462 -3.283 930 HB3 LEU 115 3HB LEU 115 14.980 -7.095 -4.454 931 HG LEU 115 HG LEU 115 12.624 -8.488 -5.542 932 HD11 LEU 115 1HD1 LEU 115 11.277 -7.156 -4.233 933 HD12 LEU 115 2HD1 LEU 115 11.500 -6.143 -5.659 934 HD13 LEU 115 3HD1 LEU 115 12.437 -5.828 -4.199 935 HD21 LEU 115 3HD2 LEU 115 12.944 -6.763 -7.300 936 HD22 LEU 115 1HD2 LEU 115 14.382 -7.740 -6.999 937 HD23 LEU 115 2HD2 LEU 115 14.278 -6.101 -6.354 938 H GLU 116 H GLU 116 16.603 -8.666 -5.672 939 HA GLU 116 HA GLU 116 15.473 -10.054 -7.956 940 HB2 GLU 116 2HB GLU 116 16.639 -7.815 -8.108 941 HB3 GLU 116 3HB GLU 116 18.145 -8.661 -7.779 942 HG2 GLU 116 2HG GLU 116 17.920 -9.952 -9.794 943 HG3 GLU 116 3HG GLU 116 16.328 -9.260 -10.101 Start of MODEL 15 1 H1 MET 1 H MET 1 2.960 5.730 -4.655 2 HA MET 1 HA MET 1 5.292 5.487 -4.004 3 HB2 MET 1 2HB MET 1 5.094 3.699 -2.276 4 HB3 MET 1 3HB MET 1 3.772 4.858 -2.251 5 HG2 MET 1 2HG MET 1 2.429 3.226 -3.584 6 HG3 MET 1 3HG MET 1 3.730 2.061 -3.348 7 HE1 MET 1 3HE MET 1 0.168 2.671 -1.066 8 HE2 MET 1 1HE MET 1 1.004 4.189 -0.736 9 HE3 MET 1 2HE MET 1 0.767 3.657 -2.401 10 H ALA 2 H ALA 2 3.917 2.926 -5.900 11 HA ALA 2 HA ALA 2 6.594 2.064 -6.657 12 HB1 ALA 2 1HB ALA 2 4.829 -0.223 -6.203 13 HB2 ALA 2 2HB ALA 2 6.535 -0.008 -5.810 14 HB3 ALA 2 3HB ALA 2 5.295 0.631 -4.732 15 H ARG 3 H ARG 3 6.641 0.840 -8.631 16 HA ARG 3 HA ARG 3 4.167 0.655 -10.151 17 HB2 ARG 3 2HB ARG 3 6.171 2.734 -10.562 18 HB3 ARG 3 3HB ARG 3 5.878 1.786 -12.014 19 HG2 ARG 3 2HG ARG 3 3.925 2.777 -12.371 20 HG3 ARG 3 3HG ARG 3 3.407 2.521 -10.703 21 HD2 ARG 3 2HD ARG 3 5.117 4.472 -10.236 22 HD3 ARG 3 3HD ARG 3 4.805 4.846 -11.930 23 HE ARG 3 HE ARG 3 2.995 5.178 -9.713 24 HH11 ARG 3 1HH1 ARG 3 3.294 4.829 -13.164 25 HH12 ARG 3 2HH1 ARG 3 1.777 5.594 -13.504 26 HH21 ARG 3 2HH2 ARG 3 0.471 6.366 -11.788 27 HH22 ARG 3 1HH2 ARG 3 0.996 6.186 -10.148 28 HA PRO 4 HA PRO 4 6.035 -2.889 -11.938 29 HB2 PRO 4 2HB PRO 4 5.099 -2.827 -14.486 30 HB3 PRO 4 3HB PRO 4 4.079 -3.221 -13.097 31 HG2 PRO 4 2HG PRO 4 4.358 -0.629 -14.568 32 HG3 PRO 4 3HG PRO 4 2.889 -1.429 -13.979 33 HD2 PRO 4 2HD PRO 4 4.057 0.627 -12.659 34 HD3 PRO 4 3HD PRO 4 3.194 -0.679 -11.821 35 H SER 5 H SER 5 7.110 -3.567 -14.201 36 HA SER 5 HA SER 5 9.555 -2.157 -14.327 37 HB2 SER 5 2HB SER 5 9.129 -4.623 -14.873 38 HB3 SER 5 3HB SER 5 8.564 -4.062 -16.446 39 HG SER 5 HG SER 5 10.615 -4.197 -16.920 40 H ASN 6 H ASN 6 9.993 -0.321 -15.334 41 HA ASN 6 HA ASN 6 8.561 0.310 -17.824 42 HB2 ASN 6 2HB ASN 6 9.004 2.101 -15.440 43 HB3 ASN 6 3HB ASN 6 8.676 2.750 -17.044 44 HD21 ASN 6 2HD2 ASN 6 5.281 1.942 -17.043 45 HD22 ASN 6 1HD2 ASN 6 6.654 2.404 -17.985 46 H VAL 7 H VAL 7 9.724 1.477 -19.364 47 HA VAL 7 HA VAL 7 12.574 1.129 -19.240 48 HB VAL 7 HB VAL 7 10.897 2.479 -21.360 49 HG11 VAL 7 1HG1 VAL 7 13.013 1.703 -22.718 50 HG12 VAL 7 2HG1 VAL 7 13.005 3.237 -21.846 51 HG13 VAL 7 3HG1 VAL 7 13.794 1.826 -21.142 52 HG21 VAL 7 3HG2 VAL 7 10.393 0.054 -20.887 53 HG22 VAL 7 1HG2 VAL 7 10.896 0.420 -22.537 54 HG23 VAL 7 2HG2 VAL 7 12.039 -0.306 -21.408 55 H LYS 8 H LYS 8 10.336 3.724 -18.723 56 HA LYS 8 HA LYS 8 12.605 5.533 -18.228 57 HB2 LYS 8 2HB LYS 8 11.127 5.966 -20.344 58 HB3 LYS 8 3HB LYS 8 9.968 6.594 -19.179 59 HG2 LYS 8 2HG LYS 8 11.084 8.504 -19.741 60 HG3 LYS 8 3HG LYS 8 12.026 7.982 -18.343 61 HD2 LYS 8 2HD LYS 8 13.799 8.198 -19.699 62 HD3 LYS 8 3HD LYS 8 13.266 6.666 -20.394 63 HE2 LYS 8 2HE LYS 8 13.584 8.121 -22.221 64 HE3 LYS 8 3HE LYS 8 11.840 8.040 -21.975 65 HZ1 LYS 8 3HZ LYS 8 11.769 10.215 -21.629 66 HZ2 LYS 8 1HZ LYS 8 13.397 10.310 -22.080 67 HZ3 LYS 8 2HZ LYS 8 12.979 10.144 -20.449 68 HA PRO 9 HA PRO 9 9.904 5.091 -14.464 69 HB2 PRO 9 2HB PRO 9 11.961 4.678 -12.740 70 HB3 PRO 9 3HB PRO 9 11.182 3.370 -13.637 71 HG2 PRO 9 2HG PRO 9 13.739 4.809 -14.227 72 HG3 PRO 9 3HG PRO 9 13.384 3.074 -14.321 73 HD2 PRO 9 2HD PRO 9 13.432 4.672 -16.507 74 HD3 PRO 9 3HD PRO 9 12.354 3.268 -16.374 75 H SER 10 H SER 10 13.003 6.758 -14.915 76 HA SER 10 HA SER 10 13.715 8.842 -14.346 77 HB2 SER 10 2HB SER 10 11.080 9.906 -13.583 78 HB3 SER 10 3HB SER 10 12.241 10.507 -14.767 79 HG SER 10 HG SER 10 10.232 9.717 -15.667 80 HA PRO 11 HA PRO 11 14.179 9.001 -9.987 81 HB2 PRO 11 2HB PRO 11 14.613 11.643 -9.540 82 HB3 PRO 11 3HB PRO 11 15.805 10.591 -10.313 83 HG2 PRO 11 2HG PRO 11 13.869 12.502 -11.564 84 HG3 PRO 11 3HG PRO 11 15.576 12.221 -11.956 85 HD2 PRO 11 2HD PRO 11 13.554 11.163 -13.413 86 HD3 PRO 11 3HD PRO 11 15.111 10.337 -13.199 87 H HIS 12 H HIS 12 13.470 10.439 -8.004 88 HA HIS 12 HA HIS 12 10.667 11.256 -8.323 89 HB2 HIS 12 2HB HIS 12 11.785 9.217 -6.426 90 HB3 HIS 12 3HB HIS 12 10.361 10.151 -5.978 91 HD1 HIS 12 HD1 HIS 12 8.179 9.263 -6.768 92 HD2 HIS 12 HD2 HIS 12 11.374 7.706 -8.920 93 HE1 HIS 12 HE1 HIS 12 7.183 7.521 -8.284 94 H VAL 13 H VAL 13 10.139 13.085 -7.283 95 HA VAL 13 HA VAL 13 12.124 14.207 -5.413 96 HB VAL 13 HB VAL 13 10.227 15.709 -7.223 97 HG11 VAL 13 1HG1 VAL 13 11.595 17.681 -6.492 98 HG12 VAL 13 2HG1 VAL 13 10.568 16.981 -5.239 99 HG13 VAL 13 3HG1 VAL 13 12.300 16.647 -5.251 100 HG21 VAL 13 3HG2 VAL 13 12.697 16.464 -7.992 101 HG22 VAL 13 1HG2 VAL 13 13.011 14.792 -7.526 102 HG23 VAL 13 2HG2 VAL 13 11.794 15.153 -8.751 103 H ILE 14 H ILE 14 11.427 15.132 -3.515 104 HA ILE 14 HA ILE 14 8.547 15.022 -2.939 105 HB ILE 14 HB ILE 14 9.017 14.166 -0.682 106 HG12 ILE 14 2HG1 ILE 14 11.416 12.987 -0.634 107 HG13 ILE 14 3HG1 ILE 14 11.816 14.344 -1.681 108 HG21 ILE 14 1HG2 ILE 14 9.025 11.958 -1.305 109 HG22 ILE 14 2HG2 ILE 14 8.634 12.729 -2.842 110 HG23 ILE 14 3HG2 ILE 14 10.283 12.192 -2.519 111 HD11 ILE 14 3HD1 ILE 14 10.438 15.526 0.383 112 HD12 ILE 14 1HD1 ILE 14 11.377 14.265 1.182 113 HD13 ILE 14 2HD1 ILE 14 12.190 15.476 0.190 114 H LYS 15 H LYS 15 8.095 16.154 -0.769 115 HA LYS 15 HA LYS 15 9.875 18.133 0.183 116 HB2 LYS 15 2HB LYS 15 8.728 18.837 -2.233 117 HB3 LYS 15 3HB LYS 15 7.684 19.620 -1.054 118 HG2 LYS 15 2HG LYS 15 9.281 21.080 -0.402 119 HG3 LYS 15 3HG LYS 15 10.593 19.926 -0.647 120 HD2 LYS 15 2HD LYS 15 9.130 20.933 -3.036 121 HD3 LYS 15 3HD LYS 15 10.271 22.015 -2.235 122 HE2 LYS 15 2HE LYS 15 11.813 21.026 -3.524 123 HE3 LYS 15 3HE LYS 15 11.699 19.693 -2.375 124 HZ1 LYS 15 3HZ LYS 15 9.695 19.606 -4.434 125 HZ2 LYS 15 1HZ LYS 15 10.735 18.389 -3.885 126 HZ3 LYS 15 2HZ LYS 15 11.272 19.503 -5.038 127 H SER 16 H SER 16 8.068 16.137 1.194 128 HA SER 16 HA SER 16 6.636 17.797 3.095 129 HB2 SER 16 2HB SER 16 5.292 16.353 0.955 130 HB3 SER 16 3HB SER 16 4.737 15.835 2.547 131 HG SER 16 HG SER 16 4.614 18.240 2.934 132 H LEU 17 H LEU 17 5.817 16.536 4.939 133 HA LEU 17 HA LEU 17 7.752 14.636 5.800 134 HB2 LEU 17 2HB LEU 17 6.121 16.335 7.084 135 HB3 LEU 17 3HB LEU 17 5.185 14.851 7.252 136 HG LEU 17 HG LEU 17 7.184 13.790 8.301 137 HD11 LEU 17 1HD1 LEU 17 8.637 15.752 7.233 138 HD12 LEU 17 2HD1 LEU 17 9.132 14.880 8.683 139 HD13 LEU 17 3HD1 LEU 17 8.354 16.456 8.825 140 HD21 LEU 17 3HD2 LEU 17 6.139 16.276 9.653 141 HD22 LEU 17 1HD2 LEU 17 6.913 14.908 10.453 142 HD23 LEU 17 2HD2 LEU 17 5.358 14.694 9.649 143 H GLU 18 H GLU 18 4.248 14.359 5.190 144 HA GLU 18 HA GLU 18 3.953 11.650 5.623 145 HB2 GLU 18 2HB GLU 18 2.202 13.478 5.020 146 HB3 GLU 18 3HB GLU 18 2.517 12.997 3.359 147 HG2 GLU 18 2HG GLU 18 1.859 10.715 3.877 148 HG3 GLU 18 3HG GLU 18 1.579 11.168 5.558 149 H GLU 19 H GLU 19 4.763 13.277 2.564 150 HA GLU 19 HA GLU 19 4.896 11.095 0.891 151 HB2 GLU 19 2HB GLU 19 5.271 13.617 0.408 152 HB3 GLU 19 3HB GLU 19 6.963 13.269 0.738 153 HG2 GLU 19 2HG GLU 19 6.776 13.097 -1.573 154 HG3 GLU 19 3HG GLU 19 6.750 11.427 -1.009 155 H LEU 20 H LEU 20 7.264 12.209 3.238 156 HA LEU 20 HA LEU 20 9.350 10.455 2.425 157 HB2 LEU 20 2HB LEU 20 9.258 12.604 4.021 158 HB3 LEU 20 3HB LEU 20 9.203 11.338 5.246 159 HG LEU 20 HG LEU 20 11.307 10.409 4.124 160 HD11 LEU 20 1HD1 LEU 20 12.464 11.627 2.594 161 HD12 LEU 20 2HD1 LEU 20 11.831 13.168 3.171 162 HD13 LEU 20 3HD1 LEU 20 10.830 12.127 2.159 163 HD21 LEU 20 3HD2 LEU 20 11.535 13.111 5.439 164 HD22 LEU 20 1HD2 LEU 20 12.727 11.811 5.443 165 HD23 LEU 20 2HD2 LEU 20 11.202 11.611 6.306 166 H ARG 21 H ARG 21 7.392 10.388 5.410 167 HA ARG 21 HA ARG 21 8.096 7.860 6.264 168 HB2 ARG 21 2HB ARG 21 6.790 9.485 7.596 169 HB3 ARG 21 3HB ARG 21 5.392 9.176 6.575 170 HG2 ARG 21 2HG ARG 21 5.785 6.695 7.305 171 HG3 ARG 21 3HG ARG 21 6.646 7.448 8.648 172 HD2 ARG 21 2HD ARG 21 4.441 7.173 9.410 173 HD3 ARG 21 3HD ARG 21 4.569 8.877 8.975 174 HE ARG 21 HE ARG 21 3.618 7.578 6.732 175 HH11 ARG 21 1HH1 ARG 21 2.593 8.067 10.023 176 HH12 ARG 21 2HH1 ARG 21 0.904 7.995 9.645 177 HH21 ARG 21 2HH2 ARG 21 0.225 7.661 7.483 178 HH22 ARG 21 1HH2 ARG 21 1.397 7.481 6.222 179 H GLU 22 H GLU 22 5.866 8.793 3.756 180 HA GLU 22 HA GLU 22 4.609 6.223 3.534 181 HB2 GLU 22 2HB GLU 22 3.417 8.229 2.841 182 HB3 GLU 22 3HB GLU 22 4.657 8.584 1.647 183 HG2 GLU 22 2HG GLU 22 2.792 7.654 0.511 184 HG3 GLU 22 3HG GLU 22 4.080 6.450 0.507 185 H ALA 23 H ALA 23 7.301 7.870 1.997 186 HA ALA 23 HA ALA 23 7.673 6.020 -0.120 187 HB1 ALA 23 1HB ALA 23 10.162 7.166 0.476 188 HB2 ALA 23 2HB ALA 23 9.007 7.676 -0.757 189 HB3 ALA 23 3HB ALA 23 8.955 8.396 0.853 190 H THR 24 H THR 24 8.527 6.001 3.229 191 HA THR 24 HA THR 24 10.585 3.999 2.976 192 HB THR 24 HB THR 24 10.057 3.900 5.589 193 HG1 THR 24 HG1 THR 24 9.240 5.879 6.302 194 HG21 THR 24 3HG2 THR 24 11.505 6.114 4.136 195 HG22 THR 24 1HG2 THR 24 12.184 4.595 4.721 196 HG23 THR 24 2HG2 THR 24 11.641 5.818 5.870 197 H ALA 25 H ALA 25 7.150 4.073 3.483 198 HA ALA 25 HA ALA 25 7.106 1.226 4.174 199 HB1 ALA 25 1HB ALA 25 4.819 1.538 4.805 200 HB2 ALA 25 2HB ALA 25 5.769 2.844 5.516 201 HB3 ALA 25 3HB ALA 25 4.787 3.147 4.083 202 H SER 26 H SER 26 7.502 2.700 1.438 203 HA SER 26 HA SER 26 5.344 2.019 -0.222 204 HB2 SER 26 2HB SER 26 6.864 2.361 -2.077 205 HB3 SER 26 3HB SER 26 7.198 3.575 -0.842 206 HG SER 26 HG SER 26 9.074 2.470 -1.764 207 H ASN 27 H ASN 27 6.247 0.505 -2.285 208 HA ASN 27 HA ASN 27 6.835 -2.112 -1.068 209 HB2 ASN 27 2HB ASN 27 4.445 -1.940 -1.673 210 HB3 ASN 27 3HB ASN 27 4.902 -1.578 -3.335 211 HD21 ASN 27 2HD2 ASN 27 4.506 -4.961 -3.983 212 HD22 ASN 27 1HD2 ASN 27 3.960 -3.343 -4.249 213 H ARG 28 H ARG 28 8.981 -0.906 -1.866 214 HA ARG 28 HA ARG 28 10.001 -2.483 -3.966 215 HB2 ARG 28 2HB ARG 28 8.759 -0.008 -4.765 216 HB3 ARG 28 3HB ARG 28 10.481 0.039 -5.118 217 HG2 ARG 28 2HG ARG 28 8.649 -2.188 -5.974 218 HG3 ARG 28 3HG ARG 28 9.066 -0.800 -6.981 219 HD2 ARG 28 2HD ARG 28 11.415 -1.409 -6.886 220 HD3 ARG 28 3HD ARG 28 11.042 -2.754 -5.809 221 HE ARG 28 HE ARG 28 10.807 -2.720 -8.648 222 HH11 ARG 28 1HH1 ARG 28 9.417 -4.044 -5.743 223 HH12 ARG 28 2HH1 ARG 28 8.796 -5.458 -6.529 224 HH21 ARG 28 2HH2 ARG 28 9.126 -5.761 -8.775 225 HH22 ARG 28 1HH2 ARG 28 9.995 -4.578 -9.693 226 H ILE 29 H ILE 29 12.195 -1.264 -4.783 227 HA ILE 29 HA ILE 29 13.562 -0.521 -2.285 228 HB ILE 29 HB ILE 29 14.857 -1.571 -4.799 229 HG12 ILE 29 2HG1 ILE 29 15.054 -3.595 -2.979 230 HG13 ILE 29 3HG1 ILE 29 13.450 -2.967 -2.617 231 HG21 ILE 29 1HG2 ILE 29 15.825 -1.204 -1.970 232 HG22 ILE 29 2HG2 ILE 29 16.709 -2.093 -3.209 233 HG23 ILE 29 3HG2 ILE 29 16.393 -0.370 -3.416 234 HD11 ILE 29 3HD1 ILE 29 12.582 -3.870 -4.449 235 HD12 ILE 29 1HD1 ILE 29 13.903 -3.292 -5.464 236 HD13 ILE 29 2HD1 ILE 29 14.077 -4.798 -4.561 237 H SER 30 H SER 30 13.905 1.588 -2.105 238 HA SER 30 HA SER 30 14.727 3.083 -4.508 239 HB2 SER 30 2HB SER 30 13.118 4.216 -2.209 240 HB3 SER 30 3HB SER 30 13.523 5.021 -3.725 241 HG SER 30 HG SER 30 12.345 2.944 -4.558 242 H VAL 31 H VAL 31 16.166 4.863 -4.148 243 HA VAL 31 HA VAL 31 17.951 4.385 -1.881 244 HB VAL 31 HB VAL 31 18.437 6.168 -4.267 245 HG11 VAL 31 1HG1 VAL 31 20.622 4.867 -2.750 246 HG12 VAL 31 2HG1 VAL 31 20.558 6.457 -3.512 247 HG13 VAL 31 3HG1 VAL 31 19.771 6.191 -1.956 248 HG21 VAL 31 3HG2 VAL 31 18.027 3.851 -4.979 249 HG22 VAL 31 1HG2 VAL 31 19.704 4.333 -5.235 250 HG23 VAL 31 2HG2 VAL 31 19.282 3.297 -3.871 251 H ILE 32 H ILE 32 17.206 5.470 -0.137 252 HA ILE 32 HA ILE 32 16.036 8.080 -0.313 253 HB ILE 32 HB ILE 32 16.944 6.466 2.070 254 HG12 ILE 32 2HG1 ILE 32 14.108 7.141 1.371 255 HG13 ILE 32 3HG1 ILE 32 14.915 5.811 0.547 256 HG21 ILE 32 1HG2 ILE 32 17.063 8.779 2.679 257 HG22 ILE 32 2HG2 ILE 32 15.488 9.100 1.955 258 HG23 ILE 32 3HG2 ILE 32 15.606 8.093 3.398 259 HD11 ILE 32 3HD1 ILE 32 13.702 4.898 2.362 260 HD12 ILE 32 1HD1 ILE 32 15.410 4.842 2.799 261 HD13 ILE 32 2HD1 ILE 32 14.363 6.085 3.486 262 H VAL 33 H VAL 33 17.343 9.688 -0.968 263 HA VAL 33 HA VAL 33 19.876 10.061 0.495 264 HB VAL 33 HB VAL 33 19.336 11.031 -2.310 265 HG11 VAL 33 1HG1 VAL 33 21.013 12.340 -1.253 266 HG12 VAL 33 2HG1 VAL 33 21.801 10.909 -0.586 267 HG13 VAL 33 3HG1 VAL 33 21.844 11.212 -2.323 268 HG21 VAL 33 3HG2 VAL 33 20.546 8.472 -1.326 269 HG22 VAL 33 1HG2 VAL 33 19.350 8.722 -2.598 270 HG23 VAL 33 2HG2 VAL 33 21.034 9.170 -2.870 271 H PHE 34 H PHE 34 20.059 11.888 1.618 272 HA PHE 34 HA PHE 34 18.107 14.031 1.104 273 HB2 PHE 34 2HB PHE 34 19.083 14.555 3.608 274 HB3 PHE 34 3HB PHE 34 17.599 13.668 3.272 275 HD1 PHE 34 HD1 PHE 34 20.997 13.476 4.501 276 HD2 PHE 34 HD2 PHE 34 17.595 11.201 3.330 277 HE1 PHE 34 HE1 PHE 34 21.922 11.506 5.650 278 HE2 PHE 34 HE2 PHE 34 18.514 9.229 4.477 279 HZ PHE 34 HZ PHE 34 20.680 9.380 5.640 280 H THR 35 H THR 35 18.885 15.848 0.284 281 HA THR 35 HA THR 35 21.443 16.899 1.140 282 HB THR 35 HB THR 35 22.093 15.412 -0.718 283 HG1 THR 35 HG1 THR 35 22.261 18.191 -1.346 284 HG21 THR 35 3HG2 THR 35 21.397 16.243 -3.048 285 HG22 THR 35 1HG2 THR 35 20.072 17.057 -2.215 286 HG23 THR 35 2HG2 THR 35 20.223 15.302 -2.128 287 H HIS 36 H HIS 36 21.685 19.106 0.737 288 HA HIS 36 HA HIS 36 19.410 20.675 0.740 289 HB2 HIS 36 2HB HIS 36 22.198 21.439 -0.152 290 HB3 HIS 36 3HB HIS 36 20.917 22.581 0.242 291 HD1 HIS 36 HD1 HIS 36 20.593 23.160 2.670 292 HD2 HIS 36 HD2 HIS 36 23.175 19.953 2.112 293 HE1 HIS 36 HE1 HIS 36 21.599 22.705 4.930 294 HA PRO 37 HA PRO 37 18.006 20.868 -3.421 295 HB2 PRO 37 2HB PRO 37 16.789 23.295 -3.389 296 HB3 PRO 37 3HB PRO 37 16.115 21.871 -2.587 297 HG2 PRO 37 2HG PRO 37 17.675 24.142 -1.417 298 HG3 PRO 37 3HG PRO 37 16.228 23.335 -0.784 299 HD2 PRO 37 2HD PRO 37 18.718 22.788 0.129 300 HD3 PRO 37 3HD PRO 37 17.434 21.564 0.066 301 H ASP 38 H ASP 38 19.416 23.935 -2.260 302 HA ASP 38 HA ASP 38 20.689 24.245 -4.900 303 HB2 ASP 38 2HB ASP 38 19.141 26.045 -4.537 304 HB3 ASP 38 3HB ASP 38 19.774 26.334 -2.919 305 H SER 39 H SER 39 22.434 22.889 -4.141 306 HA SER 39 HA SER 39 24.294 24.348 -2.381 307 HB2 SER 39 2HB SER 39 23.622 22.438 -1.135 308 HB3 SER 39 3HB SER 39 23.744 21.384 -2.544 309 HG SER 39 HG SER 39 25.667 22.150 -0.776 310 H LYS 40 H LYS 40 26.084 24.971 -3.372 311 HA LYS 40 HA LYS 40 26.728 23.998 -6.007 312 HB2 LYS 40 2HB LYS 40 26.963 26.389 -5.359 313 HB3 LYS 40 3HB LYS 40 28.255 25.933 -4.257 314 HG2 LYS 40 2HG LYS 40 29.502 25.026 -6.222 315 HG3 LYS 40 3HG LYS 40 28.253 25.720 -7.258 316 HD2 LYS 40 2HD LYS 40 28.930 27.865 -6.868 317 HD3 LYS 40 3HD LYS 40 29.524 27.499 -5.247 318 HE2 LYS 40 2HE LYS 40 31.319 26.106 -6.510 319 HE3 LYS 40 3HE LYS 40 30.859 27.095 -7.894 320 HZ1 LYS 40 3HZ LYS 40 32.190 28.664 -7.117 321 HZ2 LYS 40 1HZ LYS 40 32.529 27.766 -5.724 322 HZ3 LYS 40 2HZ LYS 40 31.207 28.820 -5.749 323 H ARG 41 H ARG 41 28.407 24.061 -2.864 324 HA ARG 41 HA ARG 41 30.629 22.543 -3.688 325 HB2 ARG 41 2HB ARG 41 29.415 23.209 -1.030 326 HB3 ARG 41 3HB ARG 41 30.720 22.034 -1.122 327 HG2 ARG 41 2HG ARG 41 31.131 24.620 -2.502 328 HG3 ARG 41 3HG ARG 41 31.145 24.627 -0.737 329 HD2 ARG 41 2HD ARG 41 33.339 24.166 -1.072 330 HD3 ARG 41 3HD ARG 41 32.722 22.516 -1.157 331 HE ARG 41 HE ARG 41 33.242 22.468 -3.390 332 HH11 ARG 41 1HH1 ARG 41 33.365 25.754 -2.246 333 HH12 ARG 41 2HH1 ARG 41 34.065 26.373 -3.704 334 HH21 ARG 41 2HH2 ARG 41 34.518 24.961 -5.450 335 HH22 ARG 41 1HH2 ARG 41 34.164 23.272 -5.315 336 H SER 42 H SER 42 27.450 21.641 -2.544 337 HA SER 42 HA SER 42 28.213 18.802 -2.737 338 HB2 SER 42 2HB SER 42 25.684 19.653 -1.391 339 HB3 SER 42 3HB SER 42 26.728 18.274 -1.048 340 HG SER 42 HG SER 42 28.273 19.828 -0.243 341 H LYS 43 H LYS 43 25.862 17.566 -3.024 342 HA LYS 43 HA LYS 43 24.277 16.943 -4.532 343 HB2 LYS 43 2HB LYS 43 23.948 19.768 -4.194 344 HB3 LYS 43 3HB LYS 43 23.645 19.358 -5.878 345 HG2 LYS 43 2HG LYS 43 22.141 17.494 -4.908 346 HG3 LYS 43 3HG LYS 43 22.200 18.450 -3.425 347 HD2 LYS 43 2HD LYS 43 20.312 19.287 -4.466 348 HD3 LYS 43 3HD LYS 43 21.555 20.427 -4.988 349 HE2 LYS 43 2HE LYS 43 21.790 18.725 -6.986 350 HE3 LYS 43 3HE LYS 43 20.138 18.308 -6.532 351 HZ1 LYS 43 3HZ LYS 43 20.899 20.381 -8.141 352 HZ2 LYS 43 1HZ LYS 43 20.531 21.132 -6.671 353 HZ3 LYS 43 2HZ LYS 43 19.373 20.169 -7.440 354 H GLU 44 H GLU 44 27.213 17.549 -5.278 355 HA GLU 44 HA GLU 44 27.059 18.029 -8.123 356 HB2 GLU 44 2HB GLU 44 29.333 17.375 -6.255 357 HB3 GLU 44 3HB GLU 44 29.550 17.501 -7.995 358 HG2 GLU 44 2HG GLU 44 28.206 19.764 -6.656 359 HG3 GLU 44 3HG GLU 44 29.923 19.543 -6.324 360 H ILE 45 H ILE 45 27.598 15.293 -5.968 361 HA ILE 45 HA ILE 45 28.281 13.407 -7.954 362 HB ILE 45 HB ILE 45 27.656 11.694 -6.272 363 HG12 ILE 45 2HG1 ILE 45 27.187 12.823 -3.929 364 HG13 ILE 45 3HG1 ILE 45 26.518 14.110 -4.926 365 HG21 ILE 45 1HG2 ILE 45 29.579 12.003 -5.120 366 HG22 ILE 45 2HG2 ILE 45 29.804 13.293 -6.300 367 HG23 ILE 45 3HG2 ILE 45 29.184 13.667 -4.692 368 HD11 ILE 45 3HD1 ILE 45 24.761 12.846 -5.618 369 HD12 ILE 45 1HD1 ILE 45 25.649 11.329 -5.475 370 HD13 ILE 45 2HD1 ILE 45 25.035 12.131 -4.029 371 H LYS 46 H LYS 46 25.344 14.926 -7.237 372 HA LYS 46 HA LYS 46 23.401 13.026 -7.675 373 HB2 LYS 46 2HB LYS 46 23.478 15.912 -8.563 374 HB3 LYS 46 3HB LYS 46 22.036 14.908 -8.632 375 HG2 LYS 46 2HG LYS 46 23.563 15.468 -6.101 376 HG3 LYS 46 3HG LYS 46 22.176 16.412 -6.649 377 HD2 LYS 46 2HD LYS 46 20.690 14.777 -6.134 378 HD3 LYS 46 3HD LYS 46 21.813 13.480 -6.548 379 HE2 LYS 46 2HE LYS 46 22.780 14.930 -4.267 380 HE3 LYS 46 3HE LYS 46 21.118 14.410 -3.989 381 HZ1 LYS 46 3HZ LYS 46 23.215 12.863 -3.525 382 HZ2 LYS 46 1HZ LYS 46 22.916 12.429 -5.133 383 HZ3 LYS 46 2HZ LYS 46 21.703 12.247 -3.968 384 H GLU 47 H GLU 47 25.107 14.961 -10.128 385 HA GLU 47 HA GLU 47 23.833 13.926 -12.381 386 HB2 GLU 47 2HB GLU 47 25.349 15.905 -12.353 387 HB3 GLU 47 3HB GLU 47 26.717 14.812 -12.190 388 HG2 GLU 47 2HG GLU 47 26.340 13.886 -14.343 389 HG3 GLU 47 3HG GLU 47 24.788 14.708 -14.491 390 H LYS 48 H LYS 48 26.572 12.704 -10.537 391 HA LYS 48 HA LYS 48 27.313 10.655 -12.342 392 HB2 LYS 48 2HB LYS 48 27.702 10.546 -9.356 393 HB3 LYS 48 3HB LYS 48 28.706 9.828 -10.609 394 HG2 LYS 48 2HG LYS 48 29.271 12.152 -11.357 395 HG3 LYS 48 3HG LYS 48 28.442 12.742 -9.915 396 HD2 LYS 48 2HD LYS 48 30.466 12.574 -8.953 397 HD3 LYS 48 3HD LYS 48 30.086 10.854 -8.852 398 HE2 LYS 48 2HE LYS 48 31.959 10.512 -10.015 399 HE3 LYS 48 3HE LYS 48 31.084 11.145 -11.408 400 HZ1 LYS 48 3HZ LYS 48 31.960 13.368 -10.084 401 HZ2 LYS 48 1HZ LYS 48 32.644 12.705 -11.483 402 HZ3 LYS 48 2HZ LYS 48 33.262 12.294 -9.963 403 H LEU 49 H LEU 49 24.980 10.834 -9.727 404 HA LEU 49 HA LEU 49 24.426 8.015 -9.720 405 HB2 LEU 49 2HB LEU 49 24.138 9.591 -7.770 406 HB3 LEU 49 3HB LEU 49 22.711 10.216 -8.594 407 HG LEU 49 HG LEU 49 21.768 7.886 -8.510 408 HD11 LEU 49 1HD1 LEU 49 23.685 6.544 -8.201 409 HD12 LEU 49 2HD1 LEU 49 22.775 6.449 -6.694 410 HD13 LEU 49 3HD1 LEU 49 24.205 7.476 -6.797 411 HD21 LEU 49 3HD2 LEU 49 20.739 9.184 -6.955 412 HD22 LEU 49 1HD2 LEU 49 22.254 9.662 -6.187 413 HD23 LEU 49 2HD2 LEU 49 21.566 8.070 -5.864 414 H LYS 50 H LYS 50 23.087 10.868 -11.249 415 HA LYS 50 HA LYS 50 20.657 9.747 -12.134 416 HB2 LYS 50 2HB LYS 50 22.330 12.080 -12.996 417 HB3 LYS 50 3HB LYS 50 20.951 11.588 -13.972 418 HG2 LYS 50 2HG LYS 50 19.554 11.780 -11.883 419 HG3 LYS 50 3HG LYS 50 20.951 12.548 -11.125 420 HD2 LYS 50 2HD LYS 50 20.186 13.641 -13.748 421 HD3 LYS 50 3HD LYS 50 19.005 13.884 -12.458 422 HE2 LYS 50 2HE LYS 50 21.002 14.701 -11.064 423 HE3 LYS 50 3HE LYS 50 21.856 14.812 -12.602 424 HZ1 LYS 50 3HZ LYS 50 20.930 16.924 -12.178 425 HZ2 LYS 50 1HZ LYS 50 19.418 16.280 -11.776 426 HZ3 LYS 50 2HZ LYS 50 19.959 16.231 -13.378 427 H LYS 51 H LYS 51 23.874 9.892 -13.589 428 HA LYS 51 HA LYS 51 23.124 8.748 -16.076 429 HB2 LYS 51 2HB LYS 51 25.358 9.985 -15.161 430 HB3 LYS 51 3HB LYS 51 25.888 8.308 -15.125 431 HG2 LYS 51 2HG LYS 51 25.092 8.153 -17.526 432 HG3 LYS 51 3HG LYS 51 24.957 9.912 -17.486 433 HD2 LYS 51 2HD LYS 51 27.090 9.730 -18.271 434 HD3 LYS 51 3HD LYS 51 27.427 9.702 -16.539 435 HE2 LYS 51 2HE LYS 51 26.924 7.058 -17.132 436 HE3 LYS 51 3HE LYS 51 27.794 7.630 -18.555 437 HZ1 LYS 51 3HZ LYS 51 28.941 6.812 -16.250 438 HZ2 LYS 51 1HZ LYS 51 28.952 8.494 -16.067 439 HZ3 LYS 51 2HZ LYS 51 29.689 7.785 -17.414 440 H LEU 52 H LEU 52 24.103 7.422 -12.990 441 HA LEU 52 HA LEU 52 24.791 4.836 -13.713 442 HB2 LEU 52 2HB LEU 52 25.100 5.632 -11.469 443 HB3 LEU 52 3HB LEU 52 23.363 5.843 -11.260 444 HG LEU 52 HG LEU 52 24.299 3.102 -11.868 445 HD11 LEU 52 1HD1 LEU 52 24.885 4.510 -9.275 446 HD12 LEU 52 2HD1 LEU 52 26.016 3.666 -10.331 447 HD13 LEU 52 3HD1 LEU 52 24.802 2.755 -9.433 448 HD21 LEU 52 3HD2 LEU 52 22.296 4.294 -9.954 449 HD22 LEU 52 1HD2 LEU 52 22.572 2.568 -10.192 450 HD23 LEU 52 2HD2 LEU 52 21.950 3.552 -11.517 451 H ALA 53 H ALA 53 21.696 6.370 -13.695 452 HA ALA 53 HA ALA 53 19.935 4.265 -13.426 453 HB1 ALA 53 1HB ALA 53 19.293 6.180 -15.575 454 HB2 ALA 53 2HB ALA 53 18.352 5.695 -14.164 455 HB3 ALA 53 3HB ALA 53 19.651 6.875 -13.994 456 H GLU 54 H GLU 54 22.069 5.002 -16.070 457 HA GLU 54 HA GLU 54 20.775 3.358 -18.011 458 HB2 GLU 54 2HB GLU 54 22.242 5.170 -18.705 459 HB3 GLU 54 3HB GLU 54 23.602 4.420 -17.880 460 HG2 GLU 54 2HG GLU 54 22.231 2.777 -19.911 461 HG3 GLU 54 3HG GLU 54 23.143 4.166 -20.500 462 H GLU 55 H GLU 55 23.464 2.897 -15.761 463 HA GLU 55 HA GLU 55 24.236 0.341 -16.660 464 HB2 GLU 55 2HB GLU 55 25.851 1.236 -15.307 465 HB3 GLU 55 3HB GLU 55 24.684 1.965 -14.213 466 HG2 GLU 55 2HG GLU 55 25.976 0.178 -13.151 467 HG3 GLU 55 3HG GLU 55 24.248 -0.171 -13.184 468 H PHE 56 H PHE 56 21.898 1.396 -14.233 469 HA PHE 56 HA PHE 56 20.559 -1.168 -14.413 470 HB2 PHE 56 2HB PHE 56 22.329 -1.316 -12.570 471 HB3 PHE 56 3HB PHE 56 21.340 -0.163 -11.680 472 HD1 PHE 56 HD1 PHE 56 20.190 -1.185 -9.987 473 HD2 PHE 56 HD2 PHE 56 20.591 -3.205 -13.711 474 HE1 PHE 56 HE1 PHE 56 18.809 -3.032 -9.129 475 HE2 PHE 56 HE2 PHE 56 19.210 -5.055 -12.860 476 HZ PHE 56 HZ PHE 56 18.316 -4.970 -10.567 477 HA PRO 57 HA PRO 57 17.739 2.477 -14.050 478 HB2 PRO 57 2HB PRO 57 16.058 1.649 -16.015 479 HB3 PRO 57 3HB PRO 57 17.523 2.586 -16.335 480 HG2 PRO 57 2HG PRO 57 17.074 -0.365 -16.565 481 HG3 PRO 57 3HG PRO 57 17.932 0.725 -17.669 482 HD2 PRO 57 2HD PRO 57 19.222 -0.867 -15.899 483 HD3 PRO 57 3HD PRO 57 19.847 0.723 -16.385 484 H ASP 58 H ASP 58 17.560 -0.867 -13.584 485 HA ASP 58 HA ASP 58 14.791 -1.176 -13.068 486 HB2 ASP 58 2HB ASP 58 15.777 -3.227 -13.361 487 HB3 ASP 58 3HB ASP 58 17.255 -2.756 -12.527 488 H VAL 59 H VAL 59 17.420 0.114 -11.233 489 HA VAL 59 HA VAL 59 16.079 -0.099 -8.683 490 HB VAL 59 HB VAL 59 18.572 -0.150 -8.915 491 HG11 VAL 59 1HG1 VAL 59 19.734 1.506 -9.854 492 HG12 VAL 59 2HG1 VAL 59 18.189 2.121 -10.444 493 HG13 VAL 59 3HG1 VAL 59 18.868 2.738 -8.937 494 HG21 VAL 59 3HG2 VAL 59 17.394 0.365 -6.787 495 HG22 VAL 59 1HG2 VAL 59 18.992 1.101 -6.906 496 HG23 VAL 59 2HG2 VAL 59 17.549 2.081 -7.162 497 H ASP 60 H ASP 60 15.410 1.700 -7.405 498 HA ASP 60 HA ASP 60 14.446 3.949 -9.037 499 HB2 ASP 60 2HB ASP 60 12.608 2.807 -8.046 500 HB3 ASP 60 3HB ASP 60 13.412 2.726 -6.481 501 H ILE 61 H ILE 61 14.570 6.082 -8.219 502 HA ILE 61 HA ILE 61 16.669 6.446 -6.181 503 HB ILE 61 HB ILE 61 15.987 8.314 -8.455 504 HG12 ILE 61 2HG1 ILE 61 18.653 7.228 -8.528 505 HG13 ILE 61 3HG1 ILE 61 17.478 5.917 -8.490 506 HG21 ILE 61 1HG2 ILE 61 18.475 8.984 -7.563 507 HG22 ILE 61 2HG2 ILE 61 16.981 9.798 -7.103 508 HG23 ILE 61 3HG2 ILE 61 17.658 8.544 -6.064 509 HD11 ILE 61 3HD1 ILE 61 17.792 6.315 -10.748 510 HD12 ILE 61 1HD1 ILE 61 16.308 7.194 -10.383 511 HD13 ILE 61 2HD1 ILE 61 17.835 8.065 -10.536 512 H TYR 62 H TYR 62 16.368 7.935 -4.567 513 HA TYR 62 HA TYR 62 13.820 9.397 -4.528 514 HB2 TYR 62 2HB TYR 62 13.680 7.287 -3.170 515 HB3 TYR 62 3HB TYR 62 14.951 7.932 -2.138 516 HD1 TYR 62 HD1 TYR 62 11.568 8.802 -3.452 517 HD2 TYR 62 HD2 TYR 62 14.370 9.182 -0.273 518 HE1 TYR 62 HE1 TYR 62 9.873 9.970 -2.106 519 HE2 TYR 62 HE2 TYR 62 12.682 10.350 1.083 520 HH TYR 62 HH TYR 62 9.368 10.489 0.172 521 H LEU 63 H LEU 63 14.250 11.486 -4.367 522 HA LEU 63 HA LEU 63 16.708 12.343 -3.013 523 HB2 LEU 63 2HB LEU 63 15.152 13.315 -5.286 524 HB3 LEU 63 3HB LEU 63 15.636 14.587 -4.167 525 HG LEU 63 HG LEU 63 18.009 13.632 -4.425 526 HD11 LEU 63 1HD1 LEU 63 16.512 12.147 -6.521 527 HD12 LEU 63 2HD1 LEU 63 17.861 11.629 -5.511 528 HD13 LEU 63 3HD1 LEU 63 18.147 12.700 -6.883 529 HD21 LEU 63 3HD2 LEU 63 18.144 14.800 -6.760 530 HD22 LEU 63 1HD2 LEU 63 17.731 15.732 -5.321 531 HD23 LEU 63 2HD2 LEU 63 16.461 15.212 -6.428 532 H VAL 64 H VAL 64 16.676 14.050 -1.497 533 HA VAL 64 HA VAL 64 14.092 14.944 -0.490 534 HB VAL 64 HB VAL 64 16.085 13.587 1.330 535 HG11 VAL 64 1HG1 VAL 64 14.941 15.343 2.485 536 HG12 VAL 64 2HG1 VAL 64 13.384 14.824 1.837 537 HG13 VAL 64 3HG1 VAL 64 14.241 13.807 2.995 538 HG21 VAL 64 3HG2 VAL 64 14.930 11.971 -0.099 539 HG22 VAL 64 1HG2 VAL 64 14.408 11.831 1.580 540 HG23 VAL 64 2HG2 VAL 64 13.375 12.637 0.400 541 H ASP 65 H ASP 65 14.157 16.940 0.427 542 HA ASP 65 HA ASP 65 16.800 18.233 0.560 543 HB2 ASP 65 2HB ASP 65 15.188 20.349 0.444 544 HB3 ASP 65 3HB ASP 65 15.729 19.513 -1.009 545 H THR 66 H THR 66 17.520 18.712 2.516 546 HA THR 66 HA THR 66 16.116 18.281 4.882 547 HB THR 66 HB THR 66 17.986 20.097 5.678 548 HG1 THR 66 HG1 THR 66 19.662 20.111 4.288 549 HG21 THR 66 3HG2 THR 66 17.588 17.519 6.104 550 HG22 THR 66 1HG2 THR 66 19.130 18.281 6.489 551 HG23 THR 66 2HG2 THR 66 18.950 17.362 4.995 552 H SER 67 H SER 67 16.092 20.985 2.755 553 HA SER 67 HA SER 67 15.394 23.056 4.496 554 HB2 SER 67 2HB SER 67 15.768 22.839 1.789 555 HB3 SER 67 3HB SER 67 14.030 23.120 1.891 556 HG SER 67 HG SER 67 16.053 24.860 2.239 557 H THR 68 H THR 68 13.603 20.324 3.436 558 HA THR 68 HA THR 68 11.092 21.499 4.419 559 HB THR 68 HB THR 68 10.094 19.363 3.362 560 HG1 THR 68 HG1 THR 68 11.620 18.878 1.450 561 HG21 THR 68 3HG2 THR 68 9.564 20.587 1.519 562 HG22 THR 68 1HG2 THR 68 11.237 21.049 1.209 563 HG23 THR 68 2HG2 THR 68 10.312 21.876 2.463 564 H ASN 69 H ASN 69 13.471 19.056 5.019 565 HA ASN 69 HA ASN 69 11.874 18.094 7.301 566 HB2 ASN 69 2HB ASN 69 13.558 16.038 6.947 567 HB3 ASN 69 3HB ASN 69 12.000 16.135 6.133 568 HD21 ASN 69 2HD2 ASN 69 13.333 16.680 2.936 569 HD22 ASN 69 1HD2 ASN 69 11.947 16.861 3.951 570 HA PRO 70 HA PRO 70 15.873 20.074 8.732 571 HB2 PRO 70 2HB PRO 70 14.711 21.801 10.474 572 HB3 PRO 70 3HB PRO 70 14.983 22.191 8.772 573 HG2 PRO 70 2HG PRO 70 12.481 21.256 10.124 574 HG3 PRO 70 3HG PRO 70 12.685 22.524 8.902 575 HD2 PRO 70 2HD PRO 70 11.799 20.040 8.290 576 HD3 PRO 70 3HD PRO 70 12.769 21.011 7.165 577 H GLU 71 H GLU 71 12.952 19.388 10.660 578 HA GLU 71 HA GLU 71 14.443 18.694 12.999 579 HB2 GLU 71 2HB GLU 71 11.549 18.427 12.219 580 HB3 GLU 71 3HB GLU 71 12.159 17.766 13.729 581 HG2 GLU 71 2HG GLU 71 12.990 20.054 14.297 582 HG3 GLU 71 3HG GLU 71 12.139 20.646 12.871 583 H ALA 72 H ALA 72 13.088 16.943 10.291 584 HA ALA 72 HA ALA 72 13.031 14.354 11.220 585 HB1 ALA 72 1HB ALA 72 12.798 15.575 8.754 586 HB2 ALA 72 2HB ALA 72 14.174 14.488 8.556 587 HB3 ALA 72 3HB ALA 72 12.618 13.853 9.089 588 H ARG 73 H ARG 73 15.803 16.320 10.411 589 HA ARG 73 HA ARG 73 17.712 14.229 10.284 590 HB2 ARG 73 2HB ARG 73 17.744 17.170 10.359 591 HB3 ARG 73 3HB ARG 73 19.165 16.408 11.061 592 HG2 ARG 73 2HG ARG 73 18.766 15.030 8.693 593 HG3 ARG 73 3HG ARG 73 18.403 16.709 8.289 594 HD2 ARG 73 2HD ARG 73 20.860 16.008 9.851 595 HD3 ARG 73 3HD ARG 73 20.841 15.859 8.094 596 HE ARG 73 HE ARG 73 19.922 18.413 9.000 597 HH11 ARG 73 1HH1 ARG 73 22.748 16.512 8.281 598 HH12 ARG 73 2HH1 ARG 73 23.750 17.887 7.952 599 HH21 ARG 73 2HH2 ARG 73 22.886 20.002 8.117 600 HH22 ARG 73 1HH2 ARG 73 21.231 20.231 8.569 601 H GLU 74 H GLU 74 16.872 16.524 12.876 602 HA GLU 74 HA GLU 74 18.634 15.548 14.807 603 HB2 GLU 74 2HB GLU 74 16.545 17.455 14.687 604 HB3 GLU 74 3HB GLU 74 16.199 16.407 16.055 605 HG2 GLU 74 2HG GLU 74 18.669 18.047 15.574 606 HG3 GLU 74 3HG GLU 74 17.476 18.234 16.858 607 H TRP 75 H TRP 75 15.660 14.260 13.622 608 HA TRP 75 HA TRP 75 14.738 12.731 15.723 609 HB2 TRP 75 2HB TRP 75 13.862 13.015 13.268 610 HB3 TRP 75 3HB TRP 75 14.806 11.559 12.965 611 HD1 TRP 75 HD1 TRP 75 11.688 12.778 14.810 612 HE1 TRP 75 HE1 TRP 75 10.283 10.733 15.494 613 HE3 TRP 75 HE3 TRP 75 14.976 9.073 13.544 614 HZ2 TRP 75 HZ2 TRP 75 10.534 7.922 15.497 615 HZ3 TRP 75 HZ3 TRP 75 14.316 6.732 13.920 616 HH2 TRP 75 HH2 TRP 75 12.142 6.171 14.877 617 H TYR 76 H TYR 76 17.369 12.023 13.475 618 HA TYR 76 HA TYR 76 18.181 9.820 15.251 619 HB2 TYR 76 2HB TYR 76 17.201 9.033 13.063 620 HB3 TYR 76 3HB TYR 76 18.551 9.820 12.253 621 HD1 TYR 76 HD1 TYR 76 19.991 8.210 11.438 622 HD2 TYR 76 HD2 TYR 76 18.342 7.703 15.327 623 HE1 TYR 76 HE1 TYR 76 21.360 6.191 11.749 624 HE2 TYR 76 HE2 TYR 76 19.707 5.683 15.650 625 HH TYR 76 HH TYR 76 22.260 4.835 13.541 626 H ASN 77 H ASN 77 18.936 12.791 14.553 627 HA ASN 77 HA ASN 77 20.821 14.068 14.450 628 HB2 ASN 77 2HB ASN 77 21.294 13.237 16.617 629 HB3 ASN 77 3HB ASN 77 21.768 11.659 15.995 630 HD21 ASN 77 2HD2 ASN 77 24.378 14.793 15.921 631 HD22 ASN 77 1HD2 ASN 77 22.680 15.054 16.105 632 H ILE 78 H ILE 78 21.120 14.109 12.220 633 HA ILE 78 HA ILE 78 22.931 12.108 11.072 634 HB ILE 78 HB ILE 78 20.954 14.013 9.887 635 HG12 ILE 78 2HG1 ILE 78 21.607 11.118 9.299 636 HG13 ILE 78 3HG1 ILE 78 20.362 11.652 10.422 637 HG21 ILE 78 1HG2 ILE 78 21.938 13.406 7.632 638 HG22 ILE 78 2HG2 ILE 78 22.840 14.576 8.592 639 HG23 ILE 78 3HG2 ILE 78 23.382 12.900 8.509 640 HD11 ILE 78 3HD1 ILE 78 18.908 11.828 8.771 641 HD12 ILE 78 1HD1 ILE 78 19.972 12.935 7.904 642 HD13 ILE 78 2HD1 ILE 78 20.128 11.194 7.666 643 H THR 79 H THR 79 25.015 12.589 11.039 644 HA THR 79 HA THR 79 25.872 15.377 11.160 645 HB THR 79 HB THR 79 28.183 14.310 11.403 646 HG1 THR 79 HG1 THR 79 27.826 12.041 12.286 647 HG21 THR 79 3HG2 THR 79 27.530 15.053 13.440 648 HG22 THR 79 1HG2 THR 79 27.355 13.331 13.779 649 HG23 THR 79 2HG2 THR 79 25.944 14.290 13.328 650 H SER 80 H SER 80 26.102 12.548 9.072 651 HA SER 80 HA SER 80 27.600 14.107 7.094 652 HB2 SER 80 2HB SER 80 27.608 11.768 5.923 653 HB3 SER 80 3HB SER 80 28.658 12.043 7.313 654 HG SER 80 HG SER 80 27.431 10.769 8.519 655 H VAL 81 H VAL 81 25.909 15.436 6.370 656 HA VAL 81 HA VAL 81 23.364 14.949 5.690 657 HB VAL 81 HB VAL 81 24.556 16.263 3.417 658 HG11 VAL 81 1HG1 VAL 81 23.115 18.026 4.023 659 HG12 VAL 81 2HG1 VAL 81 22.268 16.547 4.481 660 HG13 VAL 81 3HG1 VAL 81 23.075 17.520 5.711 661 HG21 VAL 81 3HG2 VAL 81 25.449 17.268 6.119 662 HG22 VAL 81 1HG2 VAL 81 26.491 16.529 4.903 663 HG23 VAL 81 2HG2 VAL 81 25.705 18.073 4.571 664 HA PRO 82 HA PRO 82 24.501 12.980 1.424 665 HB2 PRO 82 2HB PRO 82 27.104 12.333 1.007 666 HB3 PRO 82 3HB PRO 82 26.427 13.910 0.586 667 HG2 PRO 82 2HG PRO 82 28.016 13.114 2.994 668 HG3 PRO 82 3HG PRO 82 28.152 14.574 1.997 669 HD2 PRO 82 2HD PRO 82 26.865 14.551 4.380 670 HD3 PRO 82 3HD PRO 82 26.370 15.602 3.037 671 H THR 83 H THR 83 23.475 11.133 2.039 672 HA THR 83 HA THR 83 25.170 8.891 2.824 673 HB THR 83 HB THR 83 22.595 9.438 4.303 674 HG1 THR 83 HG1 THR 83 23.879 10.176 5.991 675 HG21 THR 83 3HG2 THR 83 23.950 7.791 5.889 676 HG22 THR 83 1HG2 THR 83 24.675 7.314 4.355 677 HG23 THR 83 2HG2 THR 83 22.930 7.194 4.580 678 H PHE 84 H PHE 84 24.251 6.827 2.370 679 HA PHE 84 HA PHE 84 21.922 6.919 0.569 680 HB2 PHE 84 2HB PHE 84 24.613 5.738 0.178 681 HB3 PHE 84 3HB PHE 84 23.250 4.777 -0.384 682 HD1 PHE 84 HD1 PHE 84 22.957 4.958 -2.645 683 HD2 PHE 84 HD2 PHE 84 24.080 8.418 -0.435 684 HE1 PHE 84 HE1 PHE 84 22.859 6.301 -4.704 685 HE2 PHE 84 HE2 PHE 84 23.983 9.767 -2.490 686 HZ PHE 84 HZ PHE 84 23.371 8.709 -4.628 687 H VAL 85 H VAL 85 20.284 5.929 1.539 688 HA VAL 85 HA VAL 85 20.842 3.513 3.132 689 HB VAL 85 HB VAL 85 18.314 5.103 3.407 690 HG11 VAL 85 1HG1 VAL 85 18.070 4.007 5.440 691 HG12 VAL 85 2HG1 VAL 85 18.771 2.763 4.403 692 HG13 VAL 85 3HG1 VAL 85 19.788 3.628 5.555 693 HG21 VAL 85 3HG2 VAL 85 19.608 6.870 3.970 694 HG22 VAL 85 1HG2 VAL 85 19.742 6.003 5.500 695 HG23 VAL 85 2HG2 VAL 85 21.023 5.869 4.295 696 H ILE 86 H ILE 86 19.917 1.643 2.552 697 HA ILE 86 HA ILE 86 18.060 1.697 0.274 698 HB ILE 86 HB ILE 86 19.423 -0.796 1.219 699 HG12 ILE 86 2HG1 ILE 86 20.646 1.284 -0.608 700 HG13 ILE 86 3HG1 ILE 86 21.194 0.905 1.021 701 HG21 ILE 86 1HG2 ILE 86 17.782 0.002 -0.988 702 HG22 ILE 86 2HG2 ILE 86 19.339 -0.575 -1.580 703 HG23 ILE 86 3HG2 ILE 86 18.351 -1.608 -0.547 704 HD11 ILE 86 3HD1 ILE 86 21.364 -1.527 -0.024 705 HD12 ILE 86 1HD1 ILE 86 21.560 -0.587 -1.503 706 HD13 ILE 86 2HD1 ILE 86 22.667 -0.346 -0.151 707 H GLU 87 H GLU 87 15.998 1.208 0.602 708 HA GLU 87 HA GLU 87 15.295 -0.493 2.899 709 HB2 GLU 87 2HB GLU 87 13.503 0.888 3.516 710 HB3 GLU 87 3HB GLU 87 14.820 2.008 3.194 711 HG2 GLU 87 2HG GLU 87 12.567 1.347 1.310 712 HG3 GLU 87 3HG GLU 87 12.715 2.813 2.279 713 H LYS 88 H LYS 88 13.540 -1.874 2.629 714 HA LYS 88 HA LYS 88 12.458 -2.054 -0.105 715 HB2 LYS 88 2HB LYS 88 14.136 -3.806 0.232 716 HB3 LYS 88 3HB LYS 88 13.295 -4.348 1.679 717 HG2 LYS 88 2HG LYS 88 11.346 -4.409 -0.281 718 HG3 LYS 88 3HG LYS 88 12.800 -4.980 -1.102 719 HD2 LYS 88 2HD LYS 88 12.973 -6.845 0.210 720 HD3 LYS 88 3HD LYS 88 12.203 -6.073 1.598 721 HE2 LYS 88 2HE LYS 88 10.514 -6.457 -0.795 722 HE3 LYS 88 3HE LYS 88 10.997 -7.921 0.060 723 HZ1 LYS 88 3HZ LYS 88 9.419 -7.507 1.534 724 HZ2 LYS 88 1HZ LYS 88 9.010 -6.060 0.759 725 HZ3 LYS 88 2HZ LYS 88 10.189 -6.066 1.972 726 H GLY 89 H GLY 89 10.755 -0.731 1.010 727 HA2 GLY 89 2HA GLY 89 8.708 -0.524 2.044 728 HA3 GLY 89 3HA GLY 89 8.423 -2.122 1.371 729 H GLY 90 H GLY 90 10.758 -1.214 3.872 730 HA2 GLY 90 2HA GLY 90 9.143 -2.189 6.028 731 HA3 GLY 90 3HA GLY 90 10.355 -3.362 5.533 732 H GLU 91 H GLU 91 12.526 -2.968 5.942 733 HA GLU 91 HA GLU 91 13.141 -0.553 7.501 734 HB2 GLU 91 2HB GLU 91 13.841 -1.689 9.316 735 HB3 GLU 91 3HB GLU 91 12.835 -2.985 8.684 736 HG2 GLU 91 2HG GLU 91 14.895 -3.787 7.447 737 HG3 GLU 91 3HG GLU 91 15.807 -2.659 8.449 738 HA PRO 92 HA PRO 92 16.813 -0.173 5.133 739 HB2 PRO 92 2HB PRO 92 18.655 0.593 6.975 740 HB3 PRO 92 3HB PRO 92 17.355 1.654 6.417 741 HG2 PRO 92 2HG PRO 92 17.521 0.013 8.915 742 HG3 PRO 92 3HG PRO 92 16.944 1.676 8.706 743 HD2 PRO 92 2HD PRO 92 15.260 -0.434 8.917 744 HD3 PRO 92 3HD PRO 92 14.879 0.997 7.938 745 H LEU 93 H LEU 93 17.965 -1.768 4.262 746 HA LEU 93 HA LEU 93 19.255 -3.719 6.054 747 HB2 LEU 93 2HB LEU 93 17.372 -4.334 4.291 748 HB3 LEU 93 3HB LEU 93 18.752 -4.355 3.195 749 HG LEU 93 HG LEU 93 19.091 -5.906 5.675 750 HD11 LEU 93 1HD1 LEU 93 17.793 -7.807 4.450 751 HD12 LEU 93 2HD1 LEU 93 16.912 -6.468 3.716 752 HD13 LEU 93 3HD1 LEU 93 16.927 -6.658 5.469 753 HD21 LEU 93 3HD2 LEU 93 20.196 -7.425 4.208 754 HD22 LEU 93 1HD2 LEU 93 20.695 -5.795 3.756 755 HD23 LEU 93 2HD2 LEU 93 19.497 -6.652 2.785 756 H GLY 94 H GLY 94 19.711 -1.375 3.593 757 HA2 GLY 94 2HA GLY 94 22.507 -2.261 3.241 758 HA3 GLY 94 3HA GLY 94 21.602 -1.358 2.036 759 H GLU 95 H GLU 95 24.102 -0.535 2.907 760 HA GLU 95 HA GLU 95 23.485 2.120 3.805 761 HB2 GLU 95 2HB GLU 95 24.658 2.152 5.849 762 HB3 GLU 95 3HB GLU 95 23.651 0.713 5.923 763 HG2 GLU 95 2HG GLU 95 25.873 -0.368 4.901 764 HG3 GLU 95 3HG GLU 95 26.586 0.972 5.797 765 H VAL 96 H VAL 96 24.900 3.538 2.971 766 HA VAL 96 HA VAL 96 27.619 2.730 2.344 767 HB VAL 96 HB VAL 96 25.731 3.682 0.185 768 HG11 VAL 96 1HG1 VAL 96 27.935 4.675 -0.071 769 HG12 VAL 96 2HG1 VAL 96 28.686 3.084 0.069 770 HG13 VAL 96 3HG1 VAL 96 27.660 3.457 -1.316 771 HG21 VAL 96 3HG2 VAL 96 27.080 1.038 0.692 772 HG22 VAL 96 1HG2 VAL 96 25.353 1.371 0.557 773 HG23 VAL 96 2HG2 VAL 96 26.387 1.483 -0.867 774 H LYS 97 H LYS 97 29.043 4.446 2.144 775 HA LYS 97 HA LYS 97 28.084 7.165 2.045 776 HB2 LYS 97 2HB LYS 97 28.738 7.884 4.175 777 HB3 LYS 97 3HB LYS 97 27.912 6.362 4.482 778 HG2 LYS 97 2HG LYS 97 30.386 5.422 4.245 779 HG3 LYS 97 3HG LYS 97 30.773 7.064 4.766 780 HD2 LYS 97 2HD LYS 97 28.930 5.147 6.196 781 HD3 LYS 97 3HD LYS 97 30.588 5.529 6.669 782 HE2 LYS 97 2HE LYS 97 29.472 6.981 8.027 783 HE3 LYS 97 3HE LYS 97 29.646 8.002 6.601 784 HZ1 LYS 97 3HZ LYS 97 27.284 6.349 6.588 785 HZ2 LYS 97 1HZ LYS 97 27.455 7.996 6.239 786 HZ3 LYS 97 2HZ LYS 97 27.318 7.481 7.845 787 H GLY 98 H GLY 98 29.591 8.525 1.218 788 HA2 GLY 98 2HA GLY 98 31.915 9.228 1.044 789 HA3 GLY 98 3HA GLY 98 32.366 7.530 1.056 790 HA PRO 99 HA PRO 99 31.967 9.248 -3.337 791 HB2 PRO 99 2HB PRO 99 34.601 9.142 -3.989 792 HB3 PRO 99 3HB PRO 99 33.847 10.568 -3.266 793 HG2 PRO 99 2HG PRO 99 35.469 8.416 -1.962 794 HG3 PRO 99 3HG PRO 99 35.534 10.170 -1.716 795 HD2 PRO 99 2HD PRO 99 34.246 8.506 -0.012 796 HD3 PRO 99 3HD PRO 99 33.701 10.168 -0.317 797 H ASP 100 H ASP 100 30.940 7.084 -3.389 798 HA ASP 100 HA ASP 100 32.694 5.176 -4.763 799 HB2 ASP 100 2HB ASP 100 31.788 3.297 -3.565 800 HB3 ASP 100 3HB ASP 100 32.379 4.462 -2.384 801 H ILE 101 H ILE 101 31.047 6.966 -6.038 802 HA ILE 101 HA ILE 101 28.439 6.105 -6.569 803 HB ILE 101 HB ILE 101 30.399 7.719 -8.174 804 HG12 ILE 101 2HG1 ILE 101 29.330 8.733 -6.183 805 HG13 ILE 101 3HG1 ILE 101 28.863 9.542 -7.675 806 HG21 ILE 101 1HG2 ILE 101 29.261 6.878 -9.968 807 HG22 ILE 101 2HG2 ILE 101 27.794 6.579 -9.038 808 HG23 ILE 101 3HG2 ILE 101 28.200 8.220 -9.541 809 HD11 ILE 101 3HD1 ILE 101 27.230 7.610 -6.054 810 HD12 ILE 101 1HD1 ILE 101 26.930 9.329 -6.311 811 HD13 ILE 101 2HD1 ILE 101 26.766 8.194 -7.652 812 H ASP 102 H ASP 102 31.517 5.022 -7.806 813 HA ASP 102 HA ASP 102 30.390 3.503 -9.974 814 HB2 ASP 102 2HB ASP 102 32.743 4.483 -9.893 815 HB3 ASP 102 3HB ASP 102 33.146 3.165 -8.797 816 H LYS 103 H LYS 103 31.578 2.826 -6.719 817 HA LYS 103 HA LYS 103 31.217 -0.009 -6.942 818 HB2 LYS 103 2HB LYS 103 32.796 1.310 -5.361 819 HB3 LYS 103 3HB LYS 103 31.376 1.483 -4.338 820 HG2 LYS 103 2HG LYS 103 31.266 -0.784 -3.883 821 HG3 LYS 103 3HG LYS 103 32.221 -1.217 -5.303 822 HD2 LYS 103 2HD LYS 103 33.585 0.496 -3.335 823 HD3 LYS 103 3HD LYS 103 33.196 -1.133 -2.779 824 HE2 LYS 103 2HE LYS 103 34.196 -1.558 -5.307 825 HE3 LYS 103 3HE LYS 103 35.191 -0.233 -4.707 826 HZ1 LYS 103 3HZ LYS 103 35.061 -1.973 -2.612 827 HZ2 LYS 103 1HZ LYS 103 36.363 -1.795 -3.676 828 HZ3 LYS 103 2HZ LYS 103 35.200 -2.990 -3.956 829 H LEU 104 H LEU 104 29.165 2.640 -6.305 830 HA LEU 104 HA LEU 104 27.272 1.564 -4.573 831 HB2 LEU 104 2HB LEU 104 27.406 3.926 -5.407 832 HB3 LEU 104 3HB LEU 104 26.680 3.367 -6.912 833 HG LEU 104 HG LEU 104 24.874 2.474 -5.080 834 HD11 LEU 104 1HD1 LEU 104 25.235 5.210 -4.076 835 HD12 LEU 104 2HD1 LEU 104 26.437 4.043 -3.524 836 HD13 LEU 104 3HD1 LEU 104 24.722 3.746 -3.236 837 HD21 LEU 104 3HD2 LEU 104 24.085 5.090 -5.745 838 HD22 LEU 104 1HD2 LEU 104 23.659 3.587 -6.564 839 HD23 LEU 104 2HD2 LEU 104 25.070 4.507 -7.087 840 H ARG 105 H ARG 105 27.701 1.123 -8.033 841 HA ARG 105 HA ARG 105 25.244 -0.126 -8.587 842 HB2 ARG 105 2HB ARG 105 26.205 -0.802 -10.649 843 HB3 ARG 105 3HB ARG 105 26.923 0.756 -10.261 844 HG2 ARG 105 2HG ARG 105 28.805 -0.712 -9.194 845 HG3 ARG 105 3HG ARG 105 28.159 -1.952 -10.270 846 HD2 ARG 105 2HD ARG 105 28.643 -0.692 -12.190 847 HD3 ARG 105 3HD ARG 105 28.861 0.792 -11.264 848 HE ARG 105 HE ARG 105 31.042 0.208 -10.951 849 HH11 ARG 105 1HH1 ARG 105 29.235 -2.650 -11.780 850 HH12 ARG 105 2HH1 ARG 105 30.634 -3.669 -11.864 851 HH21 ARG 105 2HH2 ARG 105 32.713 -2.799 -11.453 852 HH22 ARG 105 1HH2 ARG 105 32.891 -1.122 -11.059 853 H GLU 106 H GLU 106 28.131 -1.269 -7.059 854 HA GLU 106 HA GLU 106 27.288 -4.058 -7.284 855 HB2 GLU 106 2HB GLU 106 29.729 -3.116 -5.810 856 HB3 GLU 106 3HB GLU 106 29.438 -4.669 -6.581 857 HG2 GLU 106 2HG GLU 106 29.481 -3.498 -8.782 858 HG3 GLU 106 3HG GLU 106 29.979 -2.038 -7.930 859 H THR 107 H THR 107 27.931 -1.590 -4.829 860 HA THR 107 HA THR 107 27.416 -3.154 -2.563 861 HB THR 107 HB THR 107 26.707 -0.236 -2.668 862 HG1 THR 107 HG1 THR 107 28.850 0.287 -2.636 863 HG21 THR 107 3HG2 THR 107 26.391 -0.862 -0.505 864 HG22 THR 107 1HG2 THR 107 28.130 -0.584 -0.425 865 HG23 THR 107 2HG2 THR 107 27.506 -2.222 -0.620 866 H LEU 108 H LEU 108 25.268 -1.509 -4.779 867 HA LEU 108 HA LEU 108 22.944 -1.913 -3.098 868 HB2 LEU 108 2HB LEU 108 21.867 -0.490 -4.474 869 HB3 LEU 108 3HB LEU 108 23.512 -0.040 -4.916 870 HG LEU 108 HG LEU 108 23.135 -1.921 -6.750 871 HD11 LEU 108 1HD1 LEU 108 20.396 -0.832 -6.833 872 HD12 LEU 108 2HD1 LEU 108 20.708 -2.066 -5.612 873 HD13 LEU 108 3HD1 LEU 108 21.008 -2.415 -7.314 874 HD21 LEU 108 3HD2 LEU 108 23.304 -0.174 -8.118 875 HD22 LEU 108 1HD2 LEU 108 23.186 0.851 -6.687 876 HD23 LEU 108 2HD2 LEU 108 21.737 0.462 -7.615 877 H ASP 109 H ASP 109 24.601 -3.553 -5.639 878 HA ASP 109 HA ASP 109 22.361 -5.203 -6.403 879 HB2 ASP 109 2HB ASP 109 23.822 -4.940 -8.183 880 HB3 ASP 109 3HB ASP 109 25.252 -5.049 -7.160 881 H GLU 110 H GLU 110 25.364 -5.645 -4.560 882 HA GLU 110 HA GLU 110 25.134 -8.346 -3.984 883 HB2 GLU 110 2HB GLU 110 26.212 -6.203 -2.144 884 HB3 GLU 110 3HB GLU 110 26.575 -7.921 -2.062 885 HG2 GLU 110 2HG GLU 110 27.140 -6.638 -4.644 886 HG3 GLU 110 3HG GLU 110 28.127 -6.092 -3.290 887 H LEU 111 H LEU 111 23.309 -5.681 -2.775 888 HA LEU 111 HA LEU 111 22.182 -7.297 -0.608 889 HB2 LEU 111 2HB LEU 111 22.717 -5.183 0.198 890 HB3 LEU 111 3HB LEU 111 22.159 -4.379 -1.267 891 HG LEU 111 HG LEU 111 20.127 -5.774 0.388 892 HD11 LEU 111 1HD1 LEU 111 19.923 -3.638 1.742 893 HD12 LEU 111 2HD1 LEU 111 21.563 -3.268 1.213 894 HD13 LEU 111 3HD1 LEU 111 21.251 -4.720 2.164 895 HD21 LEU 111 3HD2 LEU 111 19.036 -3.459 -0.243 896 HD22 LEU 111 1HD2 LEU 111 19.135 -4.775 -1.413 897 HD23 LEU 111 2HD2 LEU 111 20.305 -3.456 -1.469 898 H LEU 112 H LEU 112 21.101 -5.308 -3.356 899 HA LEU 112 HA LEU 112 18.384 -5.946 -3.207 900 HB2 LEU 112 2HB LEU 112 19.488 -4.148 -4.593 901 HB3 LEU 112 3HB LEU 112 19.903 -5.411 -5.749 902 HG LEU 112 HG LEU 112 17.558 -5.828 -6.188 903 HD11 LEU 112 1HD1 LEU 112 16.222 -3.691 -5.001 904 HD12 LEU 112 2HD1 LEU 112 17.214 -4.383 -3.719 905 HD13 LEU 112 3HD1 LEU 112 16.072 -5.401 -4.596 906 HD21 LEU 112 3HD2 LEU 112 18.123 -4.267 -7.717 907 HD22 LEU 112 1HD2 LEU 112 18.742 -3.145 -6.505 908 HD23 LEU 112 2HD2 LEU 112 17.006 -3.266 -6.789 909 H ALA 113 H ALA 113 21.063 -7.822 -4.236 910 HA ALA 113 HA ALA 113 19.614 -9.618 -5.936 911 HB1 ALA 113 1HB ALA 113 21.950 -9.391 -6.328 912 HB2 ALA 113 2HB ALA 113 22.333 -9.791 -4.653 913 HB3 ALA 113 3HB ALA 113 21.679 -11.027 -5.726 914 H ARG 114 H ARG 114 20.264 -9.390 -2.531 915 HA ARG 114 HA ARG 114 19.938 -12.013 -1.702 916 HB2 ARG 114 2HB ARG 114 20.615 -10.315 -0.138 917 HB3 ARG 114 3HB ARG 114 19.107 -9.438 -0.361 918 HG2 ARG 114 2HG ARG 114 17.875 -11.006 0.848 919 HG3 ARG 114 3HG ARG 114 19.133 -12.236 0.706 920 HD2 ARG 114 2HD ARG 114 20.570 -11.006 2.197 921 HD3 ARG 114 3HD ARG 114 19.431 -9.661 2.245 922 HE ARG 114 HE ARG 114 18.046 -11.892 3.113 923 HH11 ARG 114 1HH1 ARG 114 20.828 -10.053 4.113 924 HH12 ARG 114 2HH1 ARG 114 20.619 -10.406 5.796 925 HH21 ARG 114 2HH2 ARG 114 18.874 -11.721 6.485 926 HH22 ARG 114 1HH2 ARG 114 17.760 -12.363 5.326 927 H LEU 115 H LEU 115 17.387 -9.518 -1.823 928 HA LEU 115 HA LEU 115 15.333 -11.546 -1.597 929 HB2 LEU 115 2HB LEU 115 15.536 -8.826 -0.973 930 HB3 LEU 115 3HB LEU 115 14.349 -8.923 -2.272 931 HG LEU 115 HG LEU 115 13.288 -8.956 -0.073 932 HD11 LEU 115 1HD1 LEU 115 13.005 -11.012 -2.094 933 HD12 LEU 115 2HD1 LEU 115 11.770 -10.098 -1.230 934 HD13 LEU 115 3HD1 LEU 115 12.454 -11.555 -0.510 935 HD21 LEU 115 3HD2 LEU 115 14.223 -11.669 0.573 936 HD22 LEU 115 1HD2 LEU 115 13.884 -10.299 1.631 937 HD23 LEU 115 2HD2 LEU 115 15.420 -10.387 0.769 938 H GLU 116 H GLU 116 15.930 -8.901 -3.922 939 HA GLU 116 HA GLU 116 14.250 -10.084 -5.906 940 HB2 GLU 116 2HB GLU 116 15.791 -7.627 -5.588 941 HB3 GLU 116 3HB GLU 116 15.849 -8.253 -7.230 942 HG2 GLU 116 2HG GLU 116 13.386 -7.568 -5.646 943 HG3 GLU 116 3HG GLU 116 14.040 -6.690 -7.028 Start of MODEL 16 1 H1 MET 1 H MET 1 7.287 3.494 -4.494 2 HA MET 1 HA MET 1 5.070 2.771 -4.432 3 HB2 MET 1 2HB MET 1 3.778 4.388 -3.245 4 HB3 MET 1 3HB MET 1 5.454 4.611 -2.760 5 HG2 MET 1 2HG MET 1 5.435 6.389 -4.691 6 HG3 MET 1 3HG MET 1 3.699 6.366 -4.392 7 HE1 MET 1 3HE MET 1 3.144 8.332 -1.338 8 HE2 MET 1 1HE MET 1 3.006 8.619 -3.073 9 HE3 MET 1 2HE MET 1 2.535 7.060 -2.398 10 H ALA 2 H ALA 2 5.839 3.426 -7.148 11 HA ALA 2 HA ALA 2 3.173 3.861 -8.219 12 HB1 ALA 2 1HB ALA 2 4.364 6.110 -8.038 13 HB2 ALA 2 2HB ALA 2 5.415 5.522 -9.327 14 HB3 ALA 2 3HB ALA 2 3.681 5.680 -9.607 15 H ARG 3 H ARG 3 3.688 4.008 -10.869 16 HA ARG 3 HA ARG 3 5.463 1.746 -11.474 17 HB2 ARG 3 2HB ARG 3 2.558 1.861 -11.747 18 HB3 ARG 3 3HB ARG 3 3.366 1.441 -13.252 19 HG2 ARG 3 2HG ARG 3 4.666 -0.236 -11.693 20 HG3 ARG 3 3HG ARG 3 3.226 -0.052 -10.689 21 HD2 ARG 3 2HD ARG 3 1.837 -0.983 -12.283 22 HD3 ARG 3 3HD ARG 3 2.934 -0.602 -13.609 23 HE ARG 3 HE ARG 3 3.909 -2.637 -13.300 24 HH11 ARG 3 1HH1 ARG 3 2.268 -1.741 -10.363 25 HH12 ARG 3 2HH1 ARG 3 2.589 -3.248 -9.570 26 HH21 ARG 3 2HH2 ARG 3 3.767 -4.887 -10.654 27 HH22 ARG 3 1HH2 ARG 3 4.337 -4.625 -12.267 28 HA PRO 4 HA PRO 4 6.859 4.064 -14.926 29 HB2 PRO 4 2HB PRO 4 7.200 2.151 -16.821 30 HB3 PRO 4 3HB PRO 4 8.262 2.313 -15.417 31 HG2 PRO 4 2HG PRO 4 5.974 0.432 -15.855 32 HG3 PRO 4 3HG PRO 4 7.569 0.109 -15.149 33 HD2 PRO 4 2HD PRO 4 5.353 0.477 -13.637 34 HD3 PRO 4 3HD PRO 4 6.971 0.965 -13.095 35 H SER 5 H SER 5 6.519 4.013 -17.526 36 HA SER 5 HA SER 5 3.603 4.123 -17.944 37 HB2 SER 5 2HB SER 5 5.771 6.039 -18.614 38 HB3 SER 5 3HB SER 5 4.492 5.843 -19.812 39 HG SER 5 HG SER 5 3.109 6.774 -18.503 40 H ASN 6 H ASN 6 6.407 4.342 -20.121 41 HA ASN 6 HA ASN 6 5.666 1.834 -21.396 42 HB2 ASN 6 2HB ASN 6 5.045 4.452 -22.515 43 HB3 ASN 6 3HB ASN 6 6.050 3.489 -23.595 44 HD21 ASN 6 2HD2 ASN 6 3.589 0.920 -23.986 45 HD22 ASN 6 1HD2 ASN 6 5.289 1.141 -23.764 46 H VAL 7 H VAL 7 7.613 4.630 -22.422 47 HA VAL 7 HA VAL 7 10.026 2.967 -22.154 48 HB VAL 7 HB VAL 7 9.515 4.822 -24.480 49 HG11 VAL 7 1HG1 VAL 7 11.508 2.787 -24.876 50 HG12 VAL 7 2HG1 VAL 7 11.658 4.541 -24.997 51 HG13 VAL 7 3HG1 VAL 7 11.877 3.742 -23.440 52 HG21 VAL 7 3HG2 VAL 7 8.919 1.941 -24.094 53 HG22 VAL 7 1HG2 VAL 7 8.082 3.152 -25.065 54 HG23 VAL 7 2HG2 VAL 7 9.583 2.435 -25.651 55 H LYS 8 H LYS 8 9.914 4.348 -20.108 56 HA LYS 8 HA LYS 8 11.888 6.365 -20.284 57 HB2 LYS 8 2HB LYS 8 10.344 8.196 -19.317 58 HB3 LYS 8 3HB LYS 8 10.311 7.905 -21.051 59 HG2 LYS 8 2HG LYS 8 8.203 7.068 -21.015 60 HG3 LYS 8 3HG LYS 8 8.376 6.401 -19.390 61 HD2 LYS 8 2HD LYS 8 6.967 8.133 -18.925 62 HD3 LYS 8 3HD LYS 8 8.509 8.975 -18.757 63 HE2 LYS 8 2HE LYS 8 7.185 8.875 -21.428 64 HE3 LYS 8 3HE LYS 8 6.572 9.989 -20.208 65 HZ1 LYS 8 3HZ LYS 8 8.672 11.059 -20.083 66 HZ2 LYS 8 1HZ LYS 8 8.278 10.941 -21.724 67 HZ3 LYS 8 2HZ LYS 8 9.414 9.885 -21.049 68 HA PRO 9 HA PRO 9 12.336 5.351 -16.037 69 HB2 PRO 9 2HB PRO 9 13.362 7.649 -15.020 70 HB3 PRO 9 3HB PRO 9 14.287 6.563 -16.063 71 HG2 PRO 9 2HG PRO 9 12.858 9.099 -16.761 72 HG3 PRO 9 3HG PRO 9 14.458 8.537 -17.280 73 HD2 PRO 9 2HD PRO 9 12.262 8.331 -18.851 74 HD3 PRO 9 3HD PRO 9 13.584 7.148 -18.898 75 H SER 10 H SER 10 11.857 6.215 -13.766 76 HA SER 10 HA SER 10 9.283 7.653 -13.786 77 HB2 SER 10 2HB SER 10 10.088 5.483 -11.838 78 HB3 SER 10 3HB SER 10 8.510 6.257 -11.975 79 HG SER 10 HG SER 10 9.663 4.274 -13.533 80 HA PRO 11 HA PRO 11 12.334 9.997 -11.183 81 HB2 PRO 11 2HB PRO 11 11.682 12.430 -12.196 82 HB3 PRO 11 3HB PRO 11 12.889 11.372 -12.938 83 HG2 PRO 11 2HG PRO 11 10.021 11.792 -13.687 84 HG3 PRO 11 3HG PRO 11 11.445 11.664 -14.737 85 HD2 PRO 11 2HD PRO 11 9.742 9.597 -14.333 86 HD3 PRO 11 3HD PRO 11 11.478 9.362 -14.623 87 H HIS 12 H HIS 12 11.406 9.932 -9.206 88 HA HIS 12 HA HIS 12 8.947 11.508 -8.804 89 HB2 HIS 12 2HB HIS 12 9.753 8.836 -7.812 90 HB3 HIS 12 3HB HIS 12 8.955 9.885 -6.644 91 HD1 HIS 12 HD1 HIS 12 8.293 7.655 -9.465 92 HD2 HIS 12 HD2 HIS 12 6.297 10.710 -7.478 93 HE1 HIS 12 HE1 HIS 12 5.882 7.438 -10.146 94 H VAL 13 H VAL 13 8.998 13.105 -7.337 95 HA VAL 13 HA VAL 13 11.420 13.347 -5.671 96 HB VAL 13 HB VAL 13 11.204 15.758 -5.788 97 HG11 VAL 13 1HG1 VAL 13 12.421 15.735 -7.645 98 HG12 VAL 13 2HG1 VAL 13 11.876 14.082 -7.938 99 HG13 VAL 13 3HG1 VAL 13 10.988 15.440 -8.629 100 HG21 VAL 13 3HG2 VAL 13 9.025 16.390 -5.965 101 HG22 VAL 13 1HG2 VAL 13 9.477 16.514 -7.666 102 HG23 VAL 13 2HG2 VAL 13 8.622 15.087 -7.082 103 H ILE 14 H ILE 14 11.204 13.928 -3.538 104 HA ILE 14 HA ILE 14 8.447 13.968 -2.497 105 HB ILE 14 HB ILE 14 10.957 12.958 -1.156 106 HG12 ILE 14 2HG1 ILE 14 9.351 10.852 -1.121 107 HG13 ILE 14 3HG1 ILE 14 8.631 11.659 -2.509 108 HG21 ILE 14 1HG2 ILE 14 8.286 13.662 -0.115 109 HG22 ILE 14 2HG2 ILE 14 8.973 12.141 0.453 110 HG23 ILE 14 3HG2 ILE 14 9.854 13.650 0.692 111 HD11 ILE 14 3HD1 ILE 14 10.773 9.945 -2.556 112 HD12 ILE 14 1HD1 ILE 14 10.301 11.056 -3.842 113 HD13 ILE 14 2HD1 ILE 14 11.526 11.536 -2.666 114 H LYS 15 H LYS 15 7.879 15.476 -0.967 115 HA LYS 15 HA LYS 15 9.865 17.289 0.112 116 HB2 LYS 15 2HB LYS 15 8.596 19.300 -0.713 117 HB3 LYS 15 3HB LYS 15 9.475 18.415 -1.953 118 HG2 LYS 15 2HG LYS 15 7.615 17.936 -3.083 119 HG3 LYS 15 3HG LYS 15 6.731 17.497 -1.620 120 HD2 LYS 15 2HD LYS 15 6.068 19.701 -1.218 121 HD3 LYS 15 3HD LYS 15 7.313 20.366 -2.278 122 HE2 LYS 15 2HE LYS 15 5.259 20.585 -3.435 123 HE3 LYS 15 3HE LYS 15 6.116 19.243 -4.191 124 HZ1 LYS 15 3HZ LYS 15 3.740 18.793 -3.790 125 HZ2 LYS 15 1HZ LYS 15 4.008 18.929 -2.125 126 HZ3 LYS 15 2HZ LYS 15 4.756 17.693 -3.003 127 H SER 16 H SER 16 7.952 15.340 1.143 128 HA SER 16 HA SER 16 6.705 17.050 3.129 129 HB2 SER 16 2HB SER 16 5.191 15.713 1.014 130 HB3 SER 16 3HB SER 16 4.633 15.287 2.632 131 HG SER 16 HG SER 16 4.134 17.365 3.025 132 H LEU 17 H LEU 17 5.877 15.818 4.977 133 HA LEU 17 HA LEU 17 7.686 13.768 5.738 134 HB2 LEU 17 2HB LEU 17 6.186 15.524 7.101 135 HB3 LEU 17 3HB LEU 17 5.162 14.097 7.245 136 HG LEU 17 HG LEU 17 7.142 12.889 8.204 137 HD11 LEU 17 1HD1 LEU 17 8.641 14.874 7.225 138 HD12 LEU 17 2HD1 LEU 17 9.130 13.888 8.602 139 HD13 LEU 17 3HD1 LEU 17 8.407 15.475 8.867 140 HD21 LEU 17 3HD2 LEU 17 6.945 13.953 10.412 141 HD22 LEU 17 1HD2 LEU 17 5.378 13.742 9.631 142 HD23 LEU 17 2HD2 LEU 17 6.141 15.333 9.662 143 H GLU 18 H GLU 18 4.155 13.712 5.221 144 HA GLU 18 HA GLU 18 3.764 10.986 5.551 145 HB2 GLU 18 2HB GLU 18 2.310 13.163 4.150 146 HB3 GLU 18 3HB GLU 18 1.874 11.515 3.721 147 HG2 GLU 18 2HG GLU 18 1.515 11.060 6.147 148 HG3 GLU 18 3HG GLU 18 1.762 12.779 6.446 149 H GLU 19 H GLU 19 4.370 12.766 2.526 150 HA GLU 19 HA GLU 19 4.334 10.616 0.775 151 HB2 GLU 19 2HB GLU 19 4.525 13.131 0.274 152 HB3 GLU 19 3HB GLU 19 6.258 12.911 0.478 153 HG2 GLU 19 2HG GLU 19 5.985 12.710 -1.800 154 HG3 GLU 19 3HG GLU 19 5.998 11.031 -1.264 155 H LEU 20 H LEU 20 6.893 11.752 2.892 156 HA LEU 20 HA LEU 20 8.985 10.191 1.806 157 HB2 LEU 20 2HB LEU 20 8.871 12.162 3.626 158 HB3 LEU 20 3HB LEU 20 9.009 10.774 4.703 159 HG LEU 20 HG LEU 20 11.066 10.141 3.298 160 HD11 LEU 20 1HD1 LEU 20 10.604 12.979 2.423 161 HD12 LEU 20 2HD1 LEU 20 10.850 11.549 1.421 162 HD13 LEU 20 3HD1 LEU 20 12.189 12.206 2.362 163 HD21 LEU 20 3HD2 LEU 20 12.487 11.395 4.719 164 HD22 LEU 20 1HD2 LEU 20 11.015 11.079 5.638 165 HD23 LEU 20 2HD2 LEU 20 11.282 12.668 4.920 166 H ARG 21 H ARG 21 7.236 9.705 4.880 167 HA ARG 21 HA ARG 21 8.156 7.094 5.308 168 HB2 ARG 21 2HB ARG 21 6.706 8.878 6.762 169 HB3 ARG 21 3HB ARG 21 5.461 7.713 6.333 170 HG2 ARG 21 2HG ARG 21 7.332 6.009 7.151 171 HG3 ARG 21 3HG ARG 21 7.814 7.417 8.099 172 HD2 ARG 21 2HD ARG 21 6.295 6.116 9.412 173 HD3 ARG 21 3HD ARG 21 5.468 7.591 8.913 174 HE ARG 21 HE ARG 21 3.989 6.315 7.721 175 HH11 ARG 21 1HH1 ARG 21 6.773 4.384 8.521 176 HH12 ARG 21 2HH1 ARG 21 6.073 2.905 7.953 177 HH21 ARG 21 2HH2 ARG 21 3.959 2.900 7.070 178 HH22 ARG 21 1HH2 ARG 21 3.056 4.373 6.970 179 H GLU 22 H GLU 22 5.779 8.305 3.164 180 HA GLU 22 HA GLU 22 4.207 5.928 2.945 181 HB2 GLU 22 2HB GLU 22 4.409 8.504 1.459 182 HB3 GLU 22 3HB GLU 22 3.634 7.146 0.655 183 HG2 GLU 22 2HG GLU 22 2.759 7.736 3.414 184 HG3 GLU 22 3HG GLU 22 2.308 8.894 2.163 185 H ALA 23 H ALA 23 7.060 7.187 1.355 186 HA ALA 23 HA ALA 23 7.048 5.248 -0.762 187 HB1 ALA 23 1HB ALA 23 9.645 6.266 -0.480 188 HB2 ALA 23 2HB ALA 23 8.406 6.774 -1.629 189 HB3 ALA 23 3HB ALA 23 8.554 7.591 -0.073 190 H THR 24 H THR 24 8.258 5.397 2.480 191 HA THR 24 HA THR 24 10.177 3.284 2.190 192 HB THR 24 HB THR 24 9.982 3.288 4.783 193 HG1 THR 24 HG1 THR 24 8.136 4.431 5.132 194 HG21 THR 24 3HG2 THR 24 11.200 5.608 4.771 195 HG22 THR 24 1HG2 THR 24 11.088 5.433 3.021 196 HG23 THR 24 2HG2 THR 24 11.935 4.216 3.976 197 H ALA 25 H ALA 25 6.808 3.530 3.124 198 HA ALA 25 HA ALA 25 6.533 0.945 4.235 199 HB1 ALA 25 1HB ALA 25 4.919 2.769 4.601 200 HB2 ALA 25 2HB ALA 25 4.415 2.638 2.915 201 HB3 ALA 25 3HB ALA 25 4.147 1.292 4.022 202 H SER 26 H SER 26 6.617 2.122 0.974 203 HA SER 26 HA SER 26 5.246 0.165 -0.413 204 HB2 SER 26 2HB SER 26 7.859 1.370 -1.337 205 HB3 SER 26 3HB SER 26 6.534 0.780 -2.339 206 HG SER 26 HG SER 26 5.661 2.673 -2.179 207 H ASN 27 H ASN 27 6.089 -1.656 -1.678 208 HA ASN 27 HA ASN 27 8.047 -3.181 -0.105 209 HB2 ASN 27 2HB ASN 27 5.998 -4.363 -0.180 210 HB3 ASN 27 3HB ASN 27 5.773 -4.025 -1.894 211 HD21 ASN 27 2HD2 ASN 27 7.337 -6.909 -2.932 212 HD22 ASN 27 1HD2 ASN 27 6.323 -5.552 -3.274 213 H ARG 28 H ARG 28 9.898 -2.278 -1.086 214 HA ARG 28 HA ARG 28 10.910 -3.688 -3.281 215 HB2 ARG 28 2HB ARG 28 9.197 -1.725 -4.150 216 HB3 ARG 28 3HB ARG 28 10.756 -0.917 -4.225 217 HG2 ARG 28 2HG ARG 28 10.437 -1.864 -6.344 218 HG3 ARG 28 3HG ARG 28 11.579 -2.931 -5.524 219 HD2 ARG 28 2HD ARG 28 9.783 -4.477 -4.989 220 HD3 ARG 28 3HD ARG 28 8.606 -3.394 -5.731 221 HE ARG 28 HE ARG 28 10.711 -4.208 -7.511 222 HH11 ARG 28 1HH1 ARG 28 7.595 -5.030 -6.194 223 HH12 ARG 28 2HH1 ARG 28 7.149 -6.036 -7.532 224 HH21 ARG 28 2HH2 ARG 28 8.596 -6.321 -9.285 225 HH22 ARG 28 1HH2 ARG 28 10.136 -5.531 -9.278 226 H ILE 29 H ILE 29 12.807 -2.031 -4.300 227 HA ILE 29 HA ILE 29 14.329 -1.274 -1.897 228 HB ILE 29 HB ILE 29 15.483 -1.904 -4.610 229 HG12 ILE 29 2HG1 ILE 29 16.150 -4.034 -3.045 230 HG13 ILE 29 3HG1 ILE 29 14.524 -3.688 -2.466 231 HG21 ILE 29 1HG2 ILE 29 16.953 -0.606 -3.227 232 HG22 ILE 29 2HG2 ILE 29 16.681 -1.679 -1.855 233 HG23 ILE 29 3HG2 ILE 29 17.548 -2.265 -3.274 234 HD11 ILE 29 3HD1 ILE 29 13.563 -4.418 -4.352 235 HD12 ILE 29 1HD1 ILE 29 14.821 -3.738 -5.384 236 HD13 ILE 29 2HD1 ILE 29 15.088 -5.277 -4.565 237 H SER 30 H SER 30 14.411 0.841 -1.564 238 HA SER 30 HA SER 30 14.710 2.618 -3.895 239 HB2 SER 30 2HB SER 30 13.157 3.205 -1.362 240 HB3 SER 30 3HB SER 30 13.387 4.317 -2.711 241 HG SER 30 HG SER 30 12.324 1.804 -3.278 242 H VAL 31 H VAL 31 16.148 4.305 -3.712 243 HA VAL 31 HA VAL 31 17.949 4.169 -1.395 244 HB VAL 31 HB VAL 31 19.139 3.795 -3.423 245 HG11 VAL 31 1HG1 VAL 31 18.912 6.140 -4.929 246 HG12 VAL 31 2HG1 VAL 31 18.294 4.539 -5.340 247 HG13 VAL 31 3HG1 VAL 31 17.262 5.694 -4.495 248 HG21 VAL 31 3HG2 VAL 31 19.734 6.686 -2.989 249 HG22 VAL 31 1HG2 VAL 31 19.963 5.548 -1.662 250 HG23 VAL 31 2HG2 VAL 31 20.840 5.326 -3.176 251 H ILE 32 H ILE 32 17.252 5.572 0.112 252 HA ILE 32 HA ILE 32 16.136 8.138 -0.612 253 HB ILE 32 HB ILE 32 16.789 7.003 2.110 254 HG12 ILE 32 2HG1 ILE 32 13.994 7.368 1.188 255 HG13 ILE 32 3HG1 ILE 32 14.901 6.066 0.428 256 HG21 ILE 32 1HG2 ILE 32 15.380 8.781 2.993 257 HG22 ILE 32 2HG2 ILE 32 16.738 9.451 2.091 258 HG23 ILE 32 3HG2 ILE 32 15.132 9.410 1.364 259 HD11 ILE 32 3HD1 ILE 32 14.028 4.920 2.167 260 HD12 ILE 32 1HD1 ILE 32 15.483 5.524 2.959 261 HD13 ILE 32 2HD1 ILE 32 13.940 6.342 3.207 262 H VAL 33 H VAL 33 17.345 9.845 -1.061 263 HA VAL 33 HA VAL 33 19.907 10.174 0.358 264 HB VAL 33 HB VAL 33 19.426 11.079 -2.478 265 HG11 VAL 33 1HG1 VAL 33 21.933 10.792 -0.824 266 HG12 VAL 33 2HG1 VAL 33 21.876 11.275 -2.520 267 HG13 VAL 33 3HG1 VAL 33 21.150 12.304 -1.285 268 HG21 VAL 33 3HG2 VAL 33 20.611 8.515 -1.445 269 HG22 VAL 33 1HG2 VAL 33 19.315 8.729 -2.623 270 HG23 VAL 33 2HG2 VAL 33 20.974 9.147 -3.051 271 H PHE 34 H PHE 34 20.088 12.018 1.447 272 HA PHE 34 HA PHE 34 18.152 14.158 0.890 273 HB2 PHE 34 2HB PHE 34 19.577 14.573 3.343 274 HB3 PHE 34 3HB PHE 34 17.857 14.287 3.102 275 HD1 PHE 34 HD1 PHE 34 20.934 12.956 4.329 276 HD2 PHE 34 HD2 PHE 34 17.057 11.886 2.935 277 HE1 PHE 34 HE1 PHE 34 21.155 10.758 5.412 278 HE2 PHE 34 HE2 PHE 34 17.271 9.687 4.016 279 HZ PHE 34 HZ PHE 34 19.322 9.120 5.258 280 H THR 35 H THR 35 18.837 16.012 0.054 281 HA THR 35 HA THR 35 21.449 17.078 0.642 282 HB THR 35 HB THR 35 21.777 17.338 -1.984 283 HG1 THR 35 HG1 THR 35 19.907 16.114 -2.512 284 HG21 THR 35 3HG2 THR 35 22.519 14.727 -0.685 285 HG22 THR 35 1HG2 THR 35 23.277 16.252 -0.230 286 HG23 THR 35 2HG2 THR 35 23.425 15.652 -1.882 287 H HIS 36 H HIS 36 21.589 19.269 0.277 288 HA HIS 36 HA HIS 36 19.107 20.553 -0.647 289 HB2 HIS 36 2HB HIS 36 20.046 22.554 0.652 290 HB3 HIS 36 3HB HIS 36 19.455 21.188 1.594 291 HD1 HIS 36 HD1 HIS 36 22.853 21.303 -0.041 292 HD2 HIS 36 HD2 HIS 36 21.147 21.498 3.743 293 HE1 HIS 36 HE1 HIS 36 24.779 21.185 1.572 294 HA PRO 37 HA PRO 37 21.141 22.474 -4.026 295 HB2 PRO 37 2HB PRO 37 19.921 24.898 -4.103 296 HB3 PRO 37 3HB PRO 37 19.113 23.401 -4.580 297 HG2 PRO 37 2HG PRO 37 18.946 24.903 -1.996 298 HG3 PRO 37 3HG PRO 37 17.646 24.147 -2.937 299 HD2 PRO 37 2HD PRO 37 18.731 22.977 -0.749 300 HD3 PRO 37 3HD PRO 37 18.113 22.041 -2.125 301 H ASP 38 H ASP 38 22.168 24.684 -4.667 302 HA ASP 38 HA ASP 38 23.967 26.052 -4.373 303 HB2 ASP 38 2HB ASP 38 22.559 27.602 -3.348 304 HB3 ASP 38 3HB ASP 38 22.279 26.570 -1.949 305 H SER 39 H SER 39 25.620 24.540 -4.325 306 HA SER 39 HA SER 39 27.242 24.483 -2.043 307 HB2 SER 39 2HB SER 39 25.664 22.964 -1.050 308 HB3 SER 39 3HB SER 39 25.613 21.978 -2.511 309 HG SER 39 HG SER 39 27.392 21.940 -0.446 310 H LYS 40 H LYS 40 29.168 24.496 -2.969 311 HA LYS 40 HA LYS 40 29.633 23.501 -5.595 312 HB2 LYS 40 2HB LYS 40 30.831 25.399 -4.173 313 HB3 LYS 40 3HB LYS 40 31.903 24.072 -3.748 314 HG2 LYS 40 2HG LYS 40 31.376 24.218 -6.603 315 HG3 LYS 40 3HG LYS 40 32.116 25.686 -5.961 316 HD2 LYS 40 2HD LYS 40 33.961 24.452 -5.075 317 HD3 LYS 40 3HD LYS 40 33.176 22.913 -5.436 318 HE2 LYS 40 2HE LYS 40 33.202 24.069 -7.887 319 HE3 LYS 40 3HE LYS 40 34.677 24.737 -7.190 320 HZ1 LYS 40 3HZ LYS 40 34.863 22.144 -6.517 321 HZ2 LYS 40 1HZ LYS 40 35.579 22.829 -7.888 322 HZ3 LYS 40 2HZ LYS 40 34.092 22.035 -8.018 323 H ARG 41 H ARG 41 30.830 22.481 -2.396 324 HA ARG 41 HA ARG 41 32.247 20.234 -3.267 325 HB2 ARG 41 2HB ARG 41 31.169 21.202 -0.685 326 HB3 ARG 41 3HB ARG 41 31.507 19.479 -0.782 327 HG2 ARG 41 2HG ARG 41 33.812 20.067 -1.566 328 HG3 ARG 41 3HG ARG 41 33.433 21.749 -1.193 329 HD2 ARG 41 2HD ARG 41 34.541 20.947 0.711 330 HD3 ARG 41 3HD ARG 41 32.831 20.921 1.140 331 HE ARG 41 HE ARG 41 33.402 18.419 0.133 332 HH11 ARG 41 1HH1 ARG 41 34.496 20.406 2.774 333 HH12 ARG 41 2HH1 ARG 41 34.883 19.061 3.796 334 HH21 ARG 41 2HH2 ARG 41 34.549 16.920 3.053 335 HH22 ARG 41 1HH2 ARG 41 33.907 16.641 1.469 336 H SER 42 H SER 42 28.872 20.772 -2.961 337 HA SER 42 HA SER 42 28.376 17.969 -3.679 338 HB2 SER 42 2HB SER 42 26.700 19.524 -1.694 339 HB3 SER 42 3HB SER 42 26.444 17.855 -2.205 340 HG SER 42 HG SER 42 27.548 17.986 -0.203 341 H LYS 43 H LYS 43 27.893 18.354 -5.786 342 HA LYS 43 HA LYS 43 25.327 19.210 -6.484 343 HB2 LYS 43 2HB LYS 43 25.969 21.457 -6.027 344 HB3 LYS 43 3HB LYS 43 27.503 21.263 -6.865 345 HG2 LYS 43 2HG LYS 43 26.330 21.075 -8.992 346 HG3 LYS 43 3HG LYS 43 24.782 21.240 -8.159 347 HD2 LYS 43 2HD LYS 43 25.721 23.457 -7.271 348 HD3 LYS 43 3HD LYS 43 26.949 23.287 -8.526 349 HE2 LYS 43 2HE LYS 43 24.703 22.818 -9.956 350 HE3 LYS 43 3HE LYS 43 24.085 23.939 -8.745 351 HZ1 LYS 43 3HZ LYS 43 25.014 24.921 -10.876 352 HZ2 LYS 43 1HZ LYS 43 26.545 24.516 -10.280 353 HZ3 LYS 43 2HZ LYS 43 25.562 25.594 -9.424 354 H GLU 44 H GLU 44 28.667 18.757 -7.453 355 HA GLU 44 HA GLU 44 28.090 18.333 -10.222 356 HB2 GLU 44 2HB GLU 44 30.537 17.396 -8.726 357 HB3 GLU 44 3HB GLU 44 30.391 17.725 -10.447 358 HG2 GLU 44 2HG GLU 44 29.673 20.107 -9.204 359 HG3 GLU 44 3HG GLU 44 31.050 19.506 -8.282 360 H ILE 45 H ILE 45 28.581 16.246 -7.418 361 HA ILE 45 HA ILE 45 28.565 13.790 -8.812 362 HB ILE 45 HB ILE 45 28.026 12.766 -6.619 363 HG12 ILE 45 2HG1 ILE 45 28.191 14.556 -4.685 364 HG13 ILE 45 3HG1 ILE 45 27.556 15.637 -5.920 365 HG21 ILE 45 1HG2 ILE 45 30.323 14.238 -7.358 366 HG22 ILE 45 2HG2 ILE 45 30.076 14.478 -5.630 367 HG23 ILE 45 3HG2 ILE 45 30.217 12.845 -6.282 368 HD11 ILE 45 3HD1 ILE 45 26.020 13.236 -5.901 369 HD12 ILE 45 1HD1 ILE 45 26.139 13.871 -4.260 370 HD13 ILE 45 2HD1 ILE 45 25.512 14.889 -5.557 371 H LYS 46 H LYS 46 26.097 16.017 -8.189 372 HA LYS 46 HA LYS 46 23.831 14.527 -7.740 373 HB2 LYS 46 2HB LYS 46 24.273 16.998 -9.403 374 HB3 LYS 46 3HB LYS 46 22.672 16.303 -9.191 375 HG2 LYS 46 2HG LYS 46 23.929 16.562 -6.640 376 HG3 LYS 46 3HG LYS 46 24.026 18.098 -7.504 377 HD2 LYS 46 2HD LYS 46 21.498 17.574 -8.032 378 HD3 LYS 46 3HD LYS 46 21.634 16.578 -6.581 379 HE2 LYS 46 2HE LYS 46 22.862 19.077 -6.041 380 HE3 LYS 46 3HE LYS 46 21.297 19.397 -6.788 381 HZ1 LYS 46 3HZ LYS 46 21.427 19.099 -4.253 382 HZ2 LYS 46 1HZ LYS 46 21.528 17.445 -4.592 383 HZ3 LYS 46 2HZ LYS 46 20.176 18.330 -5.092 384 H GLU 47 H GLU 47 25.417 15.166 -10.850 385 HA GLU 47 HA GLU 47 23.519 13.687 -12.379 386 HB2 GLU 47 2HB GLU 47 24.996 15.505 -13.279 387 HB3 GLU 47 3HB GLU 47 26.354 14.397 -13.141 388 HG2 GLU 47 2HG GLU 47 25.716 13.164 -14.927 389 HG3 GLU 47 3HG GLU 47 23.998 13.439 -14.645 390 H LYS 48 H LYS 48 26.462 12.905 -10.689 391 HA LYS 48 HA LYS 48 27.184 10.519 -11.908 392 HB2 LYS 48 2HB LYS 48 28.091 11.938 -9.768 393 HB3 LYS 48 3HB LYS 48 27.386 10.540 -8.966 394 HG2 LYS 48 2HG LYS 48 29.419 9.653 -9.299 395 HG3 LYS 48 3HG LYS 48 28.788 9.314 -10.912 396 HD2 LYS 48 2HD LYS 48 29.858 11.222 -11.828 397 HD3 LYS 48 3HD LYS 48 30.238 11.863 -10.228 398 HE2 LYS 48 2HE LYS 48 31.458 9.451 -10.109 399 HE3 LYS 48 3HE LYS 48 31.613 9.808 -11.828 400 HZ1 LYS 48 3HZ LYS 48 33.337 10.660 -10.002 401 HZ2 LYS 48 1HZ LYS 48 32.273 11.976 -10.008 402 HZ3 LYS 48 2HZ LYS 48 33.032 11.495 -11.441 403 H LEU 49 H LEU 49 24.906 11.043 -9.230 404 HA LEU 49 HA LEU 49 24.188 8.272 -9.073 405 HB2 LEU 49 2HB LEU 49 24.100 9.935 -7.183 406 HB3 LEU 49 3HB LEU 49 22.673 10.622 -7.957 407 HG LEU 49 HG LEU 49 21.600 8.349 -7.729 408 HD11 LEU 49 1HD1 LEU 49 23.468 6.928 -7.424 409 HD12 LEU 49 2HD1 LEU 49 22.593 6.941 -5.894 410 HD13 LEU 49 3HD1 LEU 49 24.069 7.890 -6.073 411 HD21 LEU 49 3HD2 LEU 49 21.542 8.690 -5.081 412 HD22 LEU 49 1HD2 LEU 49 20.700 9.761 -6.201 413 HD23 LEU 49 2HD2 LEU 49 22.267 10.230 -5.544 414 H LYS 50 H LYS 50 22.896 11.134 -10.636 415 HA LYS 50 HA LYS 50 20.369 10.113 -11.335 416 HB2 LYS 50 2HB LYS 50 21.780 12.500 -11.725 417 HB3 LYS 50 3HB LYS 50 21.433 11.907 -13.343 418 HG2 LYS 50 2HG LYS 50 19.050 11.735 -12.739 419 HG3 LYS 50 3HG LYS 50 19.428 12.418 -11.156 420 HD2 LYS 50 2HD LYS 50 20.404 14.400 -12.391 421 HD3 LYS 50 3HD LYS 50 19.669 13.736 -13.853 422 HE2 LYS 50 2HE LYS 50 17.630 13.692 -11.969 423 HE3 LYS 50 3HE LYS 50 18.462 15.218 -11.674 424 HZ1 LYS 50 3HZ LYS 50 17.210 14.290 -14.193 425 HZ2 LYS 50 1HZ LYS 50 18.273 15.606 -14.136 426 HZ3 LYS 50 2HZ LYS 50 16.817 15.657 -13.276 427 H LYS 51 H LYS 51 23.502 9.976 -12.956 428 HA LYS 51 HA LYS 51 22.545 8.781 -15.348 429 HB2 LYS 51 2HB LYS 51 24.986 9.785 -14.418 430 HB3 LYS 51 3HB LYS 51 25.287 8.079 -14.725 431 HG2 LYS 51 2HG LYS 51 24.167 8.504 -16.999 432 HG3 LYS 51 3HG LYS 51 24.433 10.212 -16.642 433 HD2 LYS 51 2HD LYS 51 26.810 8.656 -16.121 434 HD3 LYS 51 3HD LYS 51 26.249 8.423 -17.779 435 HE2 LYS 51 2HE LYS 51 26.426 11.175 -16.619 436 HE3 LYS 51 3HE LYS 51 27.876 10.376 -17.225 437 HZ1 LYS 51 3HZ LYS 51 27.147 10.466 -19.363 438 HZ2 LYS 51 1HZ LYS 51 26.377 11.852 -18.772 439 HZ3 LYS 51 2HZ LYS 51 25.509 10.411 -18.945 440 H LEU 52 H LEU 52 23.674 7.520 -12.274 441 HA LEU 52 HA LEU 52 24.133 4.871 -12.902 442 HB2 LEU 52 2HB LEU 52 24.602 5.759 -10.714 443 HB3 LEU 52 3HB LEU 52 22.889 6.058 -10.427 444 HG LEU 52 HG LEU 52 23.739 3.257 -10.943 445 HD11 LEU 52 1HD1 LEU 52 25.449 3.852 -9.418 446 HD12 LEU 52 2HD1 LEU 52 24.204 3.026 -8.481 447 HD13 LEU 52 3HD1 LEU 52 24.332 4.784 -8.420 448 HD21 LEU 52 3HD2 LEU 52 22.020 2.943 -9.094 449 HD22 LEU 52 1HD2 LEU 52 21.429 3.563 -10.636 450 HD23 LEU 52 2HD2 LEU 52 21.670 4.662 -9.278 451 H ALA 53 H ALA 53 21.120 6.586 -12.689 452 HA ALA 53 HA ALA 53 19.296 4.545 -12.300 453 HB1 ALA 53 1HB ALA 53 19.042 7.159 -12.718 454 HB2 ALA 53 2HB ALA 53 18.609 6.591 -14.331 455 HB3 ALA 53 3HB ALA 53 17.699 6.035 -12.926 456 H GLU 54 H GLU 54 21.264 5.227 -15.070 457 HA GLU 54 HA GLU 54 19.719 3.632 -16.900 458 HB2 GLU 54 2HB GLU 54 21.097 5.542 -17.659 459 HB3 GLU 54 3HB GLU 54 22.544 4.676 -17.161 460 HG2 GLU 54 2HG GLU 54 20.984 3.016 -18.888 461 HG3 GLU 54 3HG GLU 54 21.239 4.588 -19.644 462 H GLU 55 H GLU 55 22.692 3.227 -15.026 463 HA GLU 55 HA GLU 55 23.465 0.738 -16.049 464 HB2 GLU 55 2HB GLU 55 25.072 0.747 -14.432 465 HB3 GLU 55 3HB GLU 55 24.607 2.440 -14.345 466 HG2 GLU 55 2HG GLU 55 24.583 1.892 -12.136 467 HG3 GLU 55 3HG GLU 55 22.905 1.560 -12.560 468 H PHE 56 H PHE 56 20.968 1.615 -13.823 469 HA PHE 56 HA PHE 56 19.844 -1.001 -13.884 470 HB2 PHE 56 2HB PHE 56 21.733 -1.123 -12.133 471 HB3 PHE 56 3HB PHE 56 20.691 -0.113 -11.136 472 HD1 PHE 56 HD1 PHE 56 19.833 -1.401 -9.438 473 HD2 PHE 56 HD2 PHE 56 19.959 -2.995 -13.383 474 HE1 PHE 56 HE1 PHE 56 18.633 -3.404 -8.664 475 HE2 PHE 56 HE2 PHE 56 18.758 -5.000 -12.615 476 HZ PHE 56 HZ PHE 56 18.092 -5.207 -10.253 477 HA PRO 57 HA PRO 57 16.924 2.518 -13.185 478 HB2 PRO 57 2HB PRO 57 15.179 1.741 -15.115 479 HB3 PRO 57 3HB PRO 57 16.593 2.749 -15.447 480 HG2 PRO 57 2HG PRO 57 16.235 -0.199 -15.828 481 HG3 PRO 57 3HG PRO 57 17.000 0.983 -16.905 482 HD2 PRO 57 2HD PRO 57 18.429 -0.658 -15.294 483 HD3 PRO 57 3HD PRO 57 18.974 0.978 -15.715 484 H ASP 58 H ASP 58 16.879 -0.854 -12.916 485 HA ASP 58 HA ASP 58 14.188 -1.396 -12.361 486 HB2 ASP 58 2HB ASP 58 15.303 -3.371 -12.522 487 HB3 ASP 58 3HB ASP 58 16.782 -2.712 -11.828 488 H VAL 59 H VAL 59 16.537 0.332 -10.568 489 HA VAL 59 HA VAL 59 14.877 0.196 -8.140 490 HB VAL 59 HB VAL 59 17.333 -0.428 -7.986 491 HG11 VAL 59 1HG1 VAL 59 18.167 1.343 -9.477 492 HG12 VAL 59 2HG1 VAL 59 17.698 2.552 -8.280 493 HG13 VAL 59 3HG1 VAL 59 18.954 1.374 -7.899 494 HG21 VAL 59 3HG2 VAL 59 16.270 -0.031 -5.951 495 HG22 VAL 59 1HG2 VAL 59 17.650 1.066 -5.911 496 HG23 VAL 59 2HG2 VAL 59 16.043 1.684 -6.293 497 H ASP 60 H ASP 60 14.117 2.050 -7.183 498 HA ASP 60 HA ASP 60 14.001 4.391 -8.899 499 HB2 ASP 60 2HB ASP 60 12.312 5.205 -7.305 500 HB3 ASP 60 3HB ASP 60 11.931 3.583 -7.876 501 H ILE 61 H ILE 61 14.746 6.423 -8.377 502 HA ILE 61 HA ILE 61 16.313 6.693 -5.907 503 HB ILE 61 HB ILE 61 17.269 7.553 -8.640 504 HG12 ILE 61 2HG1 ILE 61 19.075 5.809 -7.281 505 HG13 ILE 61 3HG1 ILE 61 17.482 5.060 -7.277 506 HG21 ILE 61 1HG2 ILE 61 19.418 7.848 -7.110 507 HG22 ILE 61 2HG2 ILE 61 18.234 9.137 -7.324 508 HG23 ILE 61 3HG2 ILE 61 18.186 8.126 -5.879 509 HD11 ILE 61 3HD1 ILE 61 18.466 6.203 -9.828 510 HD12 ILE 61 1HD1 ILE 61 19.196 4.706 -9.249 511 HD13 ILE 61 2HD1 ILE 61 17.456 4.789 -9.531 512 H TYR 62 H TYR 62 15.052 8.143 -4.873 513 HA TYR 62 HA TYR 62 14.326 10.602 -6.323 514 HB2 TYR 62 2HB TYR 62 12.619 10.862 -4.449 515 HB3 TYR 62 3HB TYR 62 12.323 9.567 -5.603 516 HD1 TYR 62 HD1 TYR 62 13.641 10.276 -2.208 517 HD2 TYR 62 HD2 TYR 62 12.132 7.333 -4.884 518 HE1 TYR 62 HE1 TYR 62 13.513 8.665 -0.354 519 HE2 TYR 62 HE2 TYR 62 11.998 5.714 -3.037 520 HH TYR 62 HH TYR 62 12.060 5.487 -0.779 521 H LEU 63 H LEU 63 14.942 12.553 -5.538 522 HA LEU 63 HA LEU 63 16.838 12.526 -3.312 523 HB2 LEU 63 2HB LEU 63 17.463 14.771 -4.112 524 HB3 LEU 63 3HB LEU 63 17.651 13.520 -5.338 525 HG LEU 63 HG LEU 63 15.070 14.871 -5.475 526 HD11 LEU 63 1HD1 LEU 63 16.537 16.718 -4.646 527 HD12 LEU 63 2HD1 LEU 63 15.831 16.995 -6.238 528 HD13 LEU 63 3HD1 LEU 63 17.520 16.507 -6.095 529 HD21 LEU 63 3HD2 LEU 63 16.000 15.172 -7.869 530 HD22 LEU 63 1HD2 LEU 63 15.621 13.547 -7.298 531 HD23 LEU 63 2HD2 LEU 63 17.294 14.103 -7.327 532 H VAL 64 H VAL 64 16.721 14.036 -1.602 533 HA VAL 64 HA VAL 64 14.152 15.419 -1.271 534 HB VAL 64 HB VAL 64 15.438 13.790 0.921 535 HG11 VAL 64 1HG1 VAL 64 14.137 15.756 1.648 536 HG12 VAL 64 2HG1 VAL 64 12.734 15.120 0.787 537 HG13 VAL 64 3HG1 VAL 64 13.407 14.233 2.156 538 HG21 VAL 64 3HG2 VAL 64 14.538 12.361 -0.881 539 HG22 VAL 64 1HG2 VAL 64 13.649 12.188 0.632 540 HG23 VAL 64 2HG2 VAL 64 12.969 13.141 -0.687 541 H ASP 65 H ASP 65 14.275 17.380 -0.306 542 HA ASP 65 HA ASP 65 16.916 18.476 0.131 543 HB2 ASP 65 2HB ASP 65 15.593 20.608 0.554 544 HB3 ASP 65 3HB ASP 65 15.443 19.908 -1.055 545 H THR 66 H THR 66 17.626 19.472 2.050 546 HA THR 66 HA THR 66 16.853 18.100 4.434 547 HB THR 66 HB THR 66 18.442 20.399 5.047 548 HG1 THR 66 HG1 THR 66 20.226 19.497 3.546 549 HG21 THR 66 3HG2 THR 66 19.702 17.737 4.753 550 HG22 THR 66 1HG2 THR 66 18.319 17.837 5.843 551 HG23 THR 66 2HG2 THR 66 19.730 18.861 6.112 552 H SER 67 H SER 67 15.553 20.729 2.851 553 HA SER 67 HA SER 67 14.765 22.208 5.217 554 HB2 SER 67 2HB SER 67 15.143 22.918 2.580 555 HB3 SER 67 3HB SER 67 13.385 22.871 2.717 556 HG SER 67 HG SER 67 15.099 24.272 4.493 557 H THR 68 H THR 68 13.451 19.814 3.064 558 HA THR 68 HA THR 68 10.723 20.152 3.890 559 HB THR 68 HB THR 68 10.601 17.740 2.816 560 HG1 THR 68 HG1 THR 68 12.342 17.158 1.716 561 HG21 THR 68 3HG2 THR 68 10.809 19.020 0.500 562 HG22 THR 68 1HG2 THR 68 10.844 20.426 1.562 563 HG23 THR 68 2HG2 THR 68 9.471 19.320 1.608 564 H ASN 69 H ASN 69 13.465 18.577 5.177 565 HA ASN 69 HA ASN 69 11.878 17.530 7.364 566 HB2 ASN 69 2HB ASN 69 12.852 15.266 7.217 567 HB3 ASN 69 3HB ASN 69 11.863 15.646 5.810 568 HD21 ASN 69 2HD2 ASN 69 14.573 15.737 3.546 569 HD22 ASN 69 1HD2 ASN 69 13.008 16.387 3.879 570 HA PRO 70 HA PRO 70 16.070 19.293 8.433 571 HB2 PRO 70 2HB PRO 70 15.134 21.097 10.234 572 HB3 PRO 70 3HB PRO 70 15.276 21.448 8.507 573 HG2 PRO 70 2HG PRO 70 12.862 20.645 10.084 574 HG3 PRO 70 3HG PRO 70 13.014 21.883 8.824 575 HD2 PRO 70 2HD PRO 70 11.974 19.431 8.338 576 HD3 PRO 70 3HD PRO 70 12.886 20.342 7.116 577 H GLU 71 H GLU 71 13.271 18.502 10.462 578 HA GLU 71 HA GLU 71 14.820 17.976 12.802 579 HB2 GLU 71 2HB GLU 71 11.970 17.509 12.003 580 HB3 GLU 71 3HB GLU 71 12.603 16.756 13.459 581 HG2 GLU 71 2HG GLU 71 12.872 19.700 12.988 582 HG3 GLU 71 3HG GLU 71 11.404 19.006 13.673 583 H ALA 72 H ALA 72 13.653 16.064 10.113 584 HA ALA 72 HA ALA 72 13.886 13.494 11.084 585 HB1 ALA 72 1HB ALA 72 14.649 14.437 8.323 586 HB2 ALA 72 2HB ALA 72 14.239 12.785 8.787 587 HB3 ALA 72 3HB ALA 72 13.014 14.052 8.860 588 H ARG 73 H ARG 73 16.409 15.731 10.154 589 HA ARG 73 HA ARG 73 18.566 14.015 9.855 590 HB2 ARG 73 2HB ARG 73 18.185 16.855 10.468 591 HB3 ARG 73 3HB ARG 73 19.677 16.190 11.121 592 HG2 ARG 73 2HG ARG 73 19.325 15.314 8.415 593 HG3 ARG 73 3HG ARG 73 19.185 17.071 8.510 594 HD2 ARG 73 2HD ARG 73 21.416 15.649 9.908 595 HD3 ARG 73 3HD ARG 73 21.521 15.987 8.181 596 HE ARG 73 HE ARG 73 20.832 18.290 9.745 597 HH11 ARG 73 1HH1 ARG 73 23.456 16.325 8.572 598 HH12 ARG 73 2HH1 ARG 73 24.626 17.600 8.669 599 HH21 ARG 73 2HH2 ARG 73 24.002 19.676 9.411 600 HH22 ARG 73 1HH2 ARG 73 22.362 19.976 9.876 601 H GLU 74 H GLU 74 17.739 15.802 12.835 602 HA GLU 74 HA GLU 74 19.530 14.453 14.501 603 HB2 GLU 74 2HB GLU 74 17.233 16.244 14.846 604 HB3 GLU 74 3HB GLU 74 17.479 15.141 16.193 605 HG2 GLU 74 2HG GLU 74 19.615 15.986 16.642 606 HG3 GLU 74 3HG GLU 74 19.717 16.793 15.078 607 H TRP 75 H TRP 75 16.381 13.559 13.342 608 HA TRP 75 HA TRP 75 15.545 11.707 15.206 609 HB2 TRP 75 2HB TRP 75 14.447 12.503 12.978 610 HB3 TRP 75 3HB TRP 75 15.281 11.120 12.274 611 HD1 TRP 75 HD1 TRP 75 13.353 11.343 15.638 612 HE1 TRP 75 HE1 TRP 75 11.562 9.495 15.644 613 HE3 TRP 75 HE3 TRP 75 14.101 9.474 10.939 614 HZ2 TRP 75 HZ2 TRP 75 10.594 7.507 13.889 615 HZ3 TRP 75 HZ3 TRP 75 12.701 7.599 10.179 616 HH2 TRP 75 HH2 TRP 75 10.985 6.637 11.625 617 H TYR 76 H TYR 76 18.029 11.398 12.750 618 HA TYR 76 HA TYR 76 18.723 8.769 13.879 619 HB2 TYR 76 2HB TYR 76 17.683 8.619 11.590 620 HB3 TYR 76 3HB TYR 76 19.056 9.530 10.974 621 HD1 TYR 76 HD1 TYR 76 18.651 6.624 13.300 622 HD2 TYR 76 HD2 TYR 76 20.544 8.200 9.831 623 HE1 TYR 76 HE1 TYR 76 19.919 4.532 13.049 624 HE2 TYR 76 HE2 TYR 76 21.816 6.111 9.569 625 HH TYR 76 HH TYR 76 22.578 4.231 10.983 626 H ASN 77 H ASN 77 19.644 11.812 13.844 627 HA ASN 77 HA ASN 77 21.604 12.965 14.009 628 HB2 ASN 77 2HB ASN 77 23.110 10.503 14.725 629 HB3 ASN 77 3HB ASN 77 23.073 12.072 15.524 630 HD21 ASN 77 2HD2 ASN 77 20.961 9.081 16.994 631 HD22 ASN 77 1HD2 ASN 77 22.248 8.935 15.851 632 H ILE 78 H ILE 78 21.910 13.437 11.824 633 HA ILE 78 HA ILE 78 23.722 11.648 10.350 634 HB ILE 78 HB ILE 78 21.797 13.755 9.385 635 HG12 ILE 78 2HG1 ILE 78 21.696 11.228 8.024 636 HG13 ILE 78 3HG1 ILE 78 21.629 10.955 9.762 637 HG21 ILE 78 1HG2 ILE 78 23.981 12.343 7.870 638 HG22 ILE 78 2HG2 ILE 78 22.617 13.146 7.093 639 HG23 ILE 78 3HG2 ILE 78 23.750 14.080 8.069 640 HD11 ILE 78 3HD1 ILE 78 19.592 11.902 9.967 641 HD12 ILE 78 1HD1 ILE 78 19.885 13.079 8.687 642 HD13 ILE 78 2HD1 ILE 78 19.471 11.414 8.277 643 H THR 79 H THR 79 25.764 12.243 10.081 644 HA THR 79 HA THR 79 26.535 14.990 10.744 645 HB THR 79 HB THR 79 28.907 13.904 10.547 646 HG1 THR 79 HG1 THR 79 28.777 11.637 11.109 647 HG21 THR 79 3HG2 THR 79 27.335 14.533 12.631 648 HG22 THR 79 1HG2 THR 79 28.926 13.795 12.816 649 HG23 THR 79 2HG2 THR 79 27.476 12.794 12.887 650 H SER 80 H SER 80 26.486 12.702 8.114 651 HA SER 80 HA SER 80 27.827 14.674 6.386 652 HB2 SER 80 2HB SER 80 28.005 12.581 4.831 653 HB3 SER 80 3HB SER 80 29.112 12.740 6.194 654 HG SER 80 HG SER 80 27.898 10.654 5.839 655 H VAL 81 H VAL 81 26.178 15.921 5.658 656 HA VAL 81 HA VAL 81 23.587 15.482 5.203 657 HB VAL 81 HB VAL 81 24.599 16.723 2.803 658 HG11 VAL 81 1HG1 VAL 81 22.416 17.111 3.951 659 HG12 VAL 81 2HG1 VAL 81 23.296 17.968 5.218 660 HG13 VAL 81 3HG1 VAL 81 23.306 18.583 3.564 661 HG21 VAL 81 3HG2 VAL 81 25.882 18.527 3.812 662 HG22 VAL 81 1HG2 VAL 81 25.740 17.763 5.395 663 HG23 VAL 81 2HG2 VAL 81 26.662 16.975 4.114 664 HA PRO 82 HA PRO 82 24.272 13.408 0.892 665 HB2 PRO 82 2HB PRO 82 26.811 12.701 0.239 666 HB3 PRO 82 3HB PRO 82 26.125 14.284 -0.147 667 HG2 PRO 82 2HG PRO 82 27.924 13.499 2.113 668 HG3 PRO 82 3HG PRO 82 27.990 14.938 1.078 669 HD2 PRO 82 2HD PRO 82 26.940 14.985 3.574 670 HD3 PRO 82 3HD PRO 82 26.337 16.021 2.264 671 H THR 83 H THR 83 23.336 11.942 2.627 672 HA THR 83 HA THR 83 25.066 9.620 3.139 673 HB THR 83 HB THR 83 22.459 9.542 4.434 674 HG1 THR 83 HG1 THR 83 23.110 11.270 5.943 675 HG21 THR 83 3HG2 THR 83 24.736 8.312 4.878 676 HG22 THR 83 1HG2 THR 83 23.670 8.728 6.219 677 HG23 THR 83 2HG2 THR 83 25.074 9.735 5.863 678 H PHE 84 H PHE 84 23.961 7.474 3.070 679 HA PHE 84 HA PHE 84 21.847 7.355 1.035 680 HB2 PHE 84 2HB PHE 84 24.575 6.207 0.904 681 HB3 PHE 84 3HB PHE 84 23.266 5.154 0.379 682 HD1 PHE 84 HD1 PHE 84 24.690 8.545 -0.143 683 HD2 PHE 84 HD2 PHE 84 22.407 5.341 -1.767 684 HE1 PHE 84 HE1 PHE 84 24.670 9.672 -2.331 685 HE2 PHE 84 HE2 PHE 84 22.384 6.462 -3.957 686 HZ PHE 84 HZ PHE 84 23.517 8.630 -4.241 687 H VAL 85 H VAL 85 20.168 6.357 1.912 688 HA VAL 85 HA VAL 85 20.670 4.121 3.769 689 HB VAL 85 HB VAL 85 18.164 5.785 3.798 690 HG11 VAL 85 1HG1 VAL 85 18.451 3.452 4.901 691 HG12 VAL 85 2HG1 VAL 85 19.380 4.336 6.114 692 HG13 VAL 85 3HG1 VAL 85 17.693 4.756 5.815 693 HG21 VAL 85 3HG2 VAL 85 20.684 6.255 5.388 694 HG22 VAL 85 1HG2 VAL 85 20.000 7.325 4.164 695 HG23 VAL 85 2HG2 VAL 85 19.136 7.048 5.677 696 H ILE 86 H ILE 86 19.781 2.205 3.295 697 HA ILE 86 HA ILE 86 17.906 2.096 1.024 698 HB ILE 86 HB ILE 86 19.489 -0.282 1.915 699 HG12 ILE 86 2HG1 ILE 86 20.494 1.857 0.025 700 HG13 ILE 86 3HG1 ILE 86 21.109 1.571 1.650 701 HG21 ILE 86 1HG2 ILE 86 17.792 0.472 -0.315 702 HG22 ILE 86 2HG2 ILE 86 19.337 -0.195 -0.841 703 HG23 ILE 86 3HG2 ILE 86 18.294 -1.127 0.233 704 HD11 ILE 86 3HD1 ILE 86 22.653 0.462 0.385 705 HD12 ILE 86 1HD1 ILE 86 21.520 -0.842 0.742 706 HD13 ILE 86 2HD1 ILE 86 21.470 -0.034 -0.825 707 H GLU 87 H GLU 87 15.935 1.281 1.345 708 HA GLU 87 HA GLU 87 15.458 -0.340 3.754 709 HB2 GLU 87 2HB GLU 87 13.462 0.833 4.268 710 HB3 GLU 87 3HB GLU 87 14.691 2.060 3.993 711 HG2 GLU 87 2HG GLU 87 12.974 2.956 2.808 712 HG3 GLU 87 3HG GLU 87 13.737 1.993 1.544 713 H LYS 88 H LYS 88 13.855 -1.918 3.593 714 HA LYS 88 HA LYS 88 12.793 -2.386 0.885 715 HB2 LYS 88 2HB LYS 88 14.651 -3.920 1.302 716 HB3 LYS 88 3HB LYS 88 13.896 -4.452 2.799 717 HG2 LYS 88 2HG LYS 88 11.943 -4.859 0.878 718 HG3 LYS 88 3HG LYS 88 13.446 -5.332 0.082 719 HD2 LYS 88 2HD LYS 88 13.873 -7.020 1.605 720 HD3 LYS 88 3HD LYS 88 12.877 -6.279 2.860 721 HE2 LYS 88 2HE LYS 88 11.014 -6.744 0.960 722 HE3 LYS 88 3HE LYS 88 12.125 -8.076 0.648 723 HZ1 LYS 88 3HZ LYS 88 10.180 -7.989 2.577 724 HZ2 LYS 88 1HZ LYS 88 11.622 -7.762 3.433 725 HZ3 LYS 88 2HZ LYS 88 11.425 -9.128 2.456 726 H GLY 89 H GLY 89 10.954 -1.196 1.929 727 HA2 GLY 89 2HA GLY 89 8.903 -1.152 2.977 728 HA3 GLY 89 3HA GLY 89 8.791 -2.806 2.395 729 H GLY 90 H GLY 90 11.109 -1.634 4.777 730 HA2 GLY 90 2HA GLY 90 9.589 -2.608 7.019 731 HA3 GLY 90 3HA GLY 90 10.906 -3.679 6.564 732 H GLU 91 H GLU 91 13.022 -3.076 6.956 733 HA GLU 91 HA GLU 91 13.405 -0.538 8.395 734 HB2 GLU 91 2HB GLU 91 13.889 -3.282 9.321 735 HB3 GLU 91 3HB GLU 91 15.255 -2.200 9.549 736 HG2 GLU 91 2HG GLU 91 13.119 -0.707 10.430 737 HG3 GLU 91 3HG GLU 91 12.727 -2.340 10.968 738 HA PRO 92 HA PRO 92 16.970 0.174 5.941 739 HB2 PRO 92 2HB PRO 92 18.767 1.157 7.722 740 HB3 PRO 92 3HB PRO 92 17.353 2.069 7.183 741 HG2 PRO 92 2HG PRO 92 17.746 0.497 9.700 742 HG3 PRO 92 3HG PRO 92 16.996 2.089 9.481 743 HD2 PRO 92 2HD PRO 92 15.544 -0.178 9.767 744 HD3 PRO 92 3HD PRO 92 14.995 1.188 8.777 745 H LEU 93 H LEU 93 18.220 -1.343 5.065 746 HA LEU 93 HA LEU 93 19.738 -3.128 6.850 747 HB2 LEU 93 2HB LEU 93 17.923 -3.964 5.145 748 HB3 LEU 93 3HB LEU 93 19.235 -3.777 3.984 749 HG LEU 93 HG LEU 93 19.776 -5.362 6.439 750 HD11 LEU 93 1HD1 LEU 93 17.761 -6.055 4.395 751 HD12 LEU 93 2HD1 LEU 93 17.899 -6.567 6.076 752 HD13 LEU 93 3HD1 LEU 93 18.905 -7.322 4.840 753 HD21 LEU 93 3HD2 LEU 93 21.411 -6.317 5.174 754 HD22 LEU 93 1HD2 LEU 93 21.291 -4.762 4.349 755 HD23 LEU 93 2HD2 LEU 93 20.489 -6.182 3.676 756 H GLY 94 H GLY 94 19.919 -0.861 4.237 757 HA2 GLY 94 2HA GLY 94 22.823 -1.370 4.022 758 HA3 GLY 94 3HA GLY 94 21.840 -0.729 2.713 759 H GLU 95 H GLU 95 24.235 0.232 4.425 760 HA GLU 95 HA GLU 95 23.349 2.994 4.507 761 HB2 GLU 95 2HB GLU 95 23.939 3.415 6.773 762 HB3 GLU 95 3HB GLU 95 22.879 2.012 6.781 763 HG2 GLU 95 2HG GLU 95 25.305 0.822 6.610 764 HG3 GLU 95 3HG GLU 95 25.694 2.258 7.555 765 H VAL 96 H VAL 96 24.919 4.348 3.875 766 HA VAL 96 HA VAL 96 27.714 3.470 4.049 767 HB VAL 96 HB VAL 96 26.446 4.580 1.541 768 HG11 VAL 96 1HG1 VAL 96 29.289 3.900 2.247 769 HG12 VAL 96 2HG1 VAL 96 28.727 4.030 0.579 770 HG13 VAL 96 3HG1 VAL 96 28.646 5.429 1.650 771 HG21 VAL 96 3HG2 VAL 96 27.495 1.832 2.203 772 HG22 VAL 96 1HG2 VAL 96 25.832 2.277 1.818 773 HG23 VAL 96 2HG2 VAL 96 27.082 2.374 0.577 774 H LYS 97 H LYS 97 29.229 5.122 4.201 775 HA LYS 97 HA LYS 97 28.212 7.873 4.276 776 HB2 LYS 97 2HB LYS 97 30.078 6.833 6.397 777 HB3 LYS 97 3HB LYS 97 29.172 8.340 6.388 778 HG2 LYS 97 2HG LYS 97 27.735 7.271 7.712 779 HG3 LYS 97 3HG LYS 97 27.182 6.473 6.238 780 HD2 LYS 97 2HD LYS 97 29.344 4.953 6.931 781 HD3 LYS 97 3HD LYS 97 28.693 5.404 8.509 782 HE2 LYS 97 2HE LYS 97 27.269 3.993 6.261 783 HE3 LYS 97 3HE LYS 97 27.666 3.350 7.854 784 HZ1 LYS 97 3HZ LYS 97 25.412 4.901 7.038 785 HZ2 LYS 97 1HZ LYS 97 26.195 5.593 8.369 786 HZ3 LYS 97 2HZ LYS 97 25.641 3.997 8.449 787 H GLY 98 H GLY 98 29.291 8.369 2.373 788 HA2 GLY 98 2HA GLY 98 31.662 9.564 2.318 789 HA3 GLY 98 3HA GLY 98 32.162 7.882 2.212 790 HA PRO 99 HA PRO 99 30.915 9.774 -1.993 791 HB2 PRO 99 2HB PRO 99 33.392 10.297 -2.975 792 HB3 PRO 99 3HB PRO 99 32.445 11.486 -2.073 793 HG2 PRO 99 2HG PRO 99 34.667 9.720 -1.123 794 HG3 PRO 99 3HG PRO 99 34.373 11.433 -0.774 795 HD2 PRO 99 2HD PRO 99 33.732 9.461 0.967 796 HD3 PRO 99 3HD PRO 99 32.795 10.963 0.839 797 H ASP 100 H ASP 100 30.296 7.720 -2.625 798 HA ASP 100 HA ASP 100 32.319 6.197 -4.052 799 HB2 ASP 100 2HB ASP 100 31.743 4.076 -3.013 800 HB3 ASP 100 3HB ASP 100 32.292 5.209 -1.782 801 H ILE 101 H ILE 101 30.516 7.661 -5.313 802 HA ILE 101 HA ILE 101 27.980 6.604 -5.778 803 HB ILE 101 HB ILE 101 29.812 8.218 -7.536 804 HG12 ILE 101 2HG1 ILE 101 28.823 9.305 -5.544 805 HG13 ILE 101 3HG1 ILE 101 28.243 10.016 -7.047 806 HG21 ILE 101 1HG2 ILE 101 28.614 7.294 -9.233 807 HG22 ILE 101 2HG2 ILE 101 27.235 6.916 -8.202 808 HG23 ILE 101 3HG2 ILE 101 27.484 8.567 -8.770 809 HD11 ILE 101 3HD1 ILE 101 26.775 8.130 -5.227 810 HD12 ILE 101 1HD1 ILE 101 26.398 9.819 -5.568 811 HD13 ILE 101 2HD1 ILE 101 26.201 8.600 -6.827 812 H ASP 102 H ASP 102 31.100 5.630 -6.987 813 HA ASP 102 HA ASP 102 30.063 3.960 -9.081 814 HB2 ASP 102 2HB ASP 102 32.471 5.067 -8.712 815 HB3 ASP 102 3HB ASP 102 32.789 3.493 -7.986 816 H LYS 103 H LYS 103 31.441 3.400 -5.856 817 HA LYS 103 HA LYS 103 31.153 0.581 -5.927 818 HB2 LYS 103 2HB LYS 103 32.549 2.162 -4.341 819 HB3 LYS 103 3HB LYS 103 31.100 2.088 -3.347 820 HG2 LYS 103 2HG LYS 103 31.267 -0.335 -3.251 821 HG3 LYS 103 3HG LYS 103 32.693 -0.288 -4.291 822 HD2 LYS 103 2HD LYS 103 33.979 -0.016 -2.499 823 HD3 LYS 103 3HD LYS 103 33.142 1.494 -2.133 824 HE2 LYS 103 2HE LYS 103 32.850 0.237 -0.199 825 HE3 LYS 103 3HE LYS 103 31.342 -0.014 -1.076 826 HZ1 LYS 103 3HZ LYS 103 33.642 -1.886 -1.175 827 HZ2 LYS 103 1HZ LYS 103 32.093 -2.138 -1.806 828 HZ3 LYS 103 2HZ LYS 103 32.323 -2.068 -0.132 829 H LEU 104 H LEU 104 28.927 3.123 -5.454 830 HA LEU 104 HA LEU 104 27.055 2.011 -3.727 831 HB2 LEU 104 2HB LEU 104 27.108 4.337 -4.754 832 HB3 LEU 104 3HB LEU 104 26.336 3.616 -6.165 833 HG LEU 104 HG LEU 104 24.625 2.802 -4.266 834 HD11 LEU 104 1HD1 LEU 104 25.233 5.550 -3.287 835 HD12 LEU 104 2HD1 LEU 104 26.149 4.185 -2.647 836 HD13 LEU 104 3HD1 LEU 104 24.393 4.224 -2.482 837 HD21 LEU 104 3HD2 LEU 104 24.033 5.543 -5.004 838 HD22 LEU 104 1HD2 LEU 104 23.221 4.047 -5.464 839 HD23 LEU 104 2HD2 LEU 104 24.630 4.600 -6.370 840 H ARG 105 H ARG 105 27.510 1.522 -7.194 841 HA ARG 105 HA ARG 105 25.195 0.097 -7.770 842 HB2 ARG 105 2HB ARG 105 26.326 -0.727 -9.708 843 HB3 ARG 105 3HB ARG 105 26.900 0.911 -9.421 844 HG2 ARG 105 2HG ARG 105 28.809 -0.318 -8.115 845 HG3 ARG 105 3HG ARG 105 28.331 -1.680 -9.129 846 HD2 ARG 105 2HD ARG 105 28.605 -0.218 -11.120 847 HD3 ARG 105 3HD ARG 105 29.219 1.048 -10.056 848 HE ARG 105 HE ARG 105 30.810 -1.081 -9.507 849 HH11 ARG 105 1HH1 ARG 105 29.907 0.574 -12.434 850 HH12 ARG 105 2HH1 ARG 105 31.401 0.232 -13.243 851 HH21 ARG 105 2HH2 ARG 105 33.034 -0.969 -12.177 852 HH22 ARG 105 1HH2 ARG 105 32.781 -1.537 -10.562 853 H GLU 106 H GLU 106 28.170 -0.943 -6.234 854 HA GLU 106 HA GLU 106 27.370 -3.732 -6.250 855 HB2 GLU 106 2HB GLU 106 29.678 -2.656 -4.669 856 HB3 GLU 106 3HB GLU 106 29.497 -4.228 -5.434 857 HG2 GLU 106 2HG GLU 106 29.534 -2.919 -7.646 858 HG3 GLU 106 3HG GLU 106 30.193 -1.600 -6.680 859 H THR 107 H THR 107 27.208 -0.988 -4.158 860 HA THR 107 HA THR 107 26.879 -2.396 -1.704 861 HB THR 107 HB THR 107 25.670 0.306 -2.074 862 HG1 THR 107 HG1 THR 107 27.900 1.125 -1.795 863 HG21 THR 107 3HG2 THR 107 26.511 -1.349 0.080 864 HG22 THR 107 1HG2 THR 107 25.754 0.241 0.150 865 HG23 THR 107 2HG2 THR 107 27.511 0.103 0.082 866 H LEU 108 H LEU 108 24.648 -1.084 -4.112 867 HA LEU 108 HA LEU 108 22.328 -1.911 -2.590 868 HB2 LEU 108 2HB LEU 108 21.112 -0.623 -3.989 869 HB3 LEU 108 3HB LEU 108 22.686 0.111 -4.286 870 HG LEU 108 HG LEU 108 22.747 -1.710 -6.219 871 HD11 LEU 108 1HD1 LEU 108 20.307 -2.300 -5.282 872 HD12 LEU 108 2HD1 LEU 108 20.768 -2.491 -6.973 873 HD13 LEU 108 3HD1 LEU 108 19.879 -1.057 -6.458 874 HD21 LEU 108 3HD2 LEU 108 21.193 0.285 -7.375 875 HD22 LEU 108 1HD2 LEU 108 22.951 0.254 -7.241 876 HD23 LEU 108 2HD2 LEU 108 21.988 1.071 -6.010 877 H ASP 109 H ASP 109 24.353 -3.166 -5.083 878 HA ASP 109 HA ASP 109 22.494 -5.030 -6.177 879 HB2 ASP 109 2HB ASP 109 24.213 -4.695 -7.659 880 HB3 ASP 109 3HB ASP 109 25.423 -4.548 -6.388 881 H GLU 110 H GLU 110 25.236 -5.400 -3.929 882 HA GLU 110 HA GLU 110 24.900 -8.115 -3.398 883 HB2 GLU 110 2HB GLU 110 25.962 -5.947 -1.578 884 HB3 GLU 110 3HB GLU 110 26.158 -7.673 -1.308 885 HG2 GLU 110 2HG GLU 110 27.139 -6.328 -3.802 886 HG3 GLU 110 3HG GLU 110 28.112 -6.423 -2.335 887 H LEU 111 H LEU 111 23.083 -5.386 -2.329 888 HA LEU 111 HA LEU 111 21.811 -6.873 -0.168 889 HB2 LEU 111 2HB LEU 111 22.200 -4.676 0.470 890 HB3 LEU 111 3HB LEU 111 21.742 -4.035 -1.106 891 HG LEU 111 HG LEU 111 19.381 -4.551 -0.595 892 HD11 LEU 111 1HD1 LEU 111 18.766 -5.809 1.127 893 HD12 LEU 111 2HD1 LEU 111 19.698 -4.828 2.257 894 HD13 LEU 111 3HD1 LEU 111 20.474 -6.159 1.399 895 HD21 LEU 111 3HD2 LEU 111 20.258 -2.325 -0.162 896 HD22 LEU 111 1HD2 LEU 111 20.791 -2.829 1.441 897 HD23 LEU 111 2HD2 LEU 111 19.069 -2.770 1.063 898 H LEU 112 H LEU 112 21.367 -6.277 -3.472 899 HA LEU 112 HA LEU 112 18.489 -6.458 -3.472 900 HB2 LEU 112 2HB LEU 112 20.162 -5.354 -5.197 901 HB3 LEU 112 3HB LEU 112 20.106 -6.962 -5.917 902 HG LEU 112 HG LEU 112 18.526 -5.658 -7.085 903 HD11 LEU 112 1HD1 LEU 112 16.467 -6.800 -6.682 904 HD12 LEU 112 2HD1 LEU 112 16.933 -7.167 -5.022 905 HD13 LEU 112 3HD1 LEU 112 17.787 -7.926 -6.365 906 HD21 LEU 112 3HD2 LEU 112 18.397 -3.826 -5.430 907 HD22 LEU 112 1HD2 LEU 112 17.347 -4.833 -4.434 908 HD23 LEU 112 2HD2 LEU 112 16.814 -4.318 -6.035 909 H ALA 113 H ALA 113 21.108 -8.546 -4.703 910 HA ALA 113 HA ALA 113 19.436 -10.752 -5.257 911 HB1 ALA 113 1HB ALA 113 21.888 -11.879 -4.876 912 HB2 ALA 113 2HB ALA 113 21.339 -11.132 -6.377 913 HB3 ALA 113 3HB ALA 113 22.311 -10.205 -5.235 914 H ARG 114 H ARG 114 21.012 -9.649 -2.359 915 HA ARG 114 HA ARG 114 21.020 -12.039 -0.888 916 HB2 ARG 114 2HB ARG 114 21.448 -9.226 -0.376 917 HB3 ARG 114 3HB ARG 114 20.544 -9.966 0.938 918 HG2 ARG 114 2HG ARG 114 22.279 -11.638 1.223 919 HG3 ARG 114 3HG ARG 114 23.174 -10.960 -0.139 920 HD2 ARG 114 2HD ARG 114 22.856 -8.753 1.379 921 HD3 ARG 114 3HD ARG 114 22.907 -9.992 2.633 922 HE ARG 114 HE ARG 114 25.082 -9.123 0.956 923 HH11 ARG 114 1HH1 ARG 114 23.836 -11.681 2.963 924 HH12 ARG 114 2HH1 ARG 114 25.396 -12.358 3.293 925 HH21 ARG 114 2HH2 ARG 114 27.275 -11.404 2.396 926 HH22 ARG 114 1HH2 ARG 114 27.141 -10.006 1.384 927 H LEU 115 H LEU 115 18.682 -9.346 -0.711 928 HA LEU 115 HA LEU 115 16.837 -10.546 0.963 929 HB2 LEU 115 2HB LEU 115 16.297 -8.653 -1.320 930 HB3 LEU 115 3HB LEU 115 15.183 -9.009 -0.002 931 HG LEU 115 HG LEU 115 17.885 -7.731 0.386 932 HD11 LEU 115 1HD1 LEU 115 15.245 -6.580 -0.317 933 HD12 LEU 115 2HD1 LEU 115 16.870 -6.023 -0.716 934 HD13 LEU 115 3HD1 LEU 115 16.211 -5.736 0.894 935 HD21 LEU 115 3HD2 LEU 115 17.338 -8.558 2.449 936 HD22 LEU 115 1HD2 LEU 115 15.602 -8.457 2.153 937 HD23 LEU 115 2HD2 LEU 115 16.521 -6.996 2.514 938 H GLU 116 H GLU 116 16.532 -10.332 -2.589 939 HA GLU 116 HA GLU 116 14.399 -12.129 -2.803 940 HB2 GLU 116 2HB GLU 116 15.254 -10.514 -4.565 941 HB3 GLU 116 3HB GLU 116 16.508 -11.695 -4.916 942 HG2 GLU 116 2HG GLU 116 15.117 -13.027 -6.049 943 HG3 GLU 116 3HG GLU 116 13.797 -12.792 -4.904 Start of MODEL 17 1 H1 MET 1 H MET 1 4.963 5.492 -5.100 2 HA MET 1 HA MET 1 5.206 3.434 -4.100 3 HB2 MET 1 2HB MET 1 3.848 2.745 -2.263 4 HB3 MET 1 3HB MET 1 4.156 4.465 -2.060 5 HG2 MET 1 2HG MET 1 1.960 4.603 -1.704 6 HG3 MET 1 3HG MET 1 1.833 4.505 -3.459 7 HE1 MET 1 3HE MET 1 -0.840 3.532 -1.795 8 HE2 MET 1 1HE MET 1 -0.519 2.112 -0.799 9 HE3 MET 1 2HE MET 1 0.359 3.612 -0.503 10 H ALA 2 H ALA 2 4.755 1.505 -5.008 11 HA ALA 2 HA ALA 2 3.769 -0.068 -6.325 12 HB1 ALA 2 1HB ALA 2 1.619 -0.605 -5.849 13 HB2 ALA 2 2HB ALA 2 1.884 0.545 -4.538 14 HB3 ALA 2 3HB ALA 2 1.051 1.058 -6.006 15 H ARG 3 H ARG 3 1.776 -0.105 -8.132 16 HA ARG 3 HA ARG 3 1.218 0.496 -10.253 17 HB2 ARG 3 2HB ARG 3 0.448 2.564 -8.977 18 HB3 ARG 3 3HB ARG 3 1.945 3.323 -9.500 19 HG2 ARG 3 2HG ARG 3 1.280 3.451 -11.688 20 HG3 ARG 3 3HG ARG 3 0.177 2.081 -11.545 21 HD2 ARG 3 2HD ARG 3 -1.182 3.590 -9.980 22 HD3 ARG 3 3HD ARG 3 -0.213 4.912 -10.630 23 HE ARG 3 HE ARG 3 -2.382 3.599 -11.916 24 HH11 ARG 3 1HH1 ARG 3 0.689 5.127 -12.511 25 HH12 ARG 3 2HH1 ARG 3 0.294 5.586 -14.134 26 HH21 ARG 3 2HH2 ARG 3 -1.757 5.058 -15.009 27 HH22 ARG 3 1HH2 ARG 3 -2.914 4.198 -14.051 28 HA PRO 4 HA PRO 4 5.741 0.591 -11.333 29 HB2 PRO 4 2HB PRO 4 5.706 -1.752 -12.705 30 HB3 PRO 4 3HB PRO 4 5.964 -1.665 -10.958 31 HG2 PRO 4 2HG PRO 4 3.461 -2.297 -12.475 32 HG3 PRO 4 3HG PRO 4 4.119 -3.080 -11.026 33 HD2 PRO 4 2HD PRO 4 2.111 -1.267 -10.916 34 HD3 PRO 4 3HD PRO 4 3.311 -1.443 -9.620 35 H SER 5 H SER 5 6.554 -0.140 -13.725 36 HA SER 5 HA SER 5 4.756 0.321 -15.870 37 HB2 SER 5 2HB SER 5 5.735 2.663 -14.570 38 HB3 SER 5 3HB SER 5 6.502 2.560 -16.155 39 HG SER 5 HG SER 5 4.119 3.439 -15.668 40 H ASN 6 H ASN 6 6.266 1.137 -17.879 41 HA ASN 6 HA ASN 6 8.778 -0.382 -17.751 42 HB2 ASN 6 2HB ASN 6 6.878 -0.531 -20.095 43 HB3 ASN 6 3HB ASN 6 8.333 -1.487 -19.830 44 HD21 ASN 6 2HD2 ASN 6 6.827 -3.653 -17.459 45 HD22 ASN 6 1HD2 ASN 6 8.313 -2.875 -17.875 46 H VAL 7 H VAL 7 10.018 -0.001 -19.931 47 HA VAL 7 HA VAL 7 11.150 1.451 -21.270 48 HB VAL 7 HB VAL 7 8.701 3.211 -21.144 49 HG11 VAL 7 1HG1 VAL 7 9.485 3.894 -23.409 50 HG12 VAL 7 2HG1 VAL 7 10.584 4.343 -22.103 51 HG13 VAL 7 3HG1 VAL 7 10.953 2.958 -23.131 52 HG21 VAL 7 3HG2 VAL 7 9.256 0.717 -22.695 53 HG22 VAL 7 1HG2 VAL 7 7.780 1.221 -21.872 54 HG23 VAL 7 2HG2 VAL 7 8.246 1.982 -23.393 55 H LYS 8 H LYS 8 12.817 2.299 -20.192 56 HA LYS 8 HA LYS 8 14.084 3.760 -18.996 57 HB2 LYS 8 2HB LYS 8 11.847 5.361 -19.991 58 HB3 LYS 8 3HB LYS 8 12.556 6.009 -18.518 59 HG2 LYS 8 2HG LYS 8 14.777 5.937 -19.616 60 HG3 LYS 8 3HG LYS 8 13.980 5.427 -21.106 61 HD2 LYS 8 2HD LYS 8 12.560 7.530 -20.872 62 HD3 LYS 8 3HD LYS 8 13.723 8.046 -19.649 63 HE2 LYS 8 2HE LYS 8 15.352 8.436 -21.173 64 HE3 LYS 8 3HE LYS 8 14.852 7.100 -22.208 65 HZ1 LYS 8 3HZ LYS 8 12.866 8.563 -22.765 66 HZ2 LYS 8 1HZ LYS 8 14.360 9.008 -23.422 67 HZ3 LYS 8 2HZ LYS 8 13.746 9.836 -22.082 68 HA PRO 9 HA PRO 9 13.089 3.294 -14.748 69 HB2 PRO 9 2HB PRO 9 14.384 5.390 -13.607 70 HB3 PRO 9 3HB PRO 9 15.227 3.983 -14.266 71 HG2 PRO 9 2HG PRO 9 14.779 6.674 -15.500 72 HG3 PRO 9 3HG PRO 9 16.246 5.678 -15.491 73 HD2 PRO 9 2HD PRO 9 14.584 5.803 -17.625 74 HD3 PRO 9 3HD PRO 9 15.500 4.339 -17.212 75 H SER 10 H SER 10 12.828 6.711 -15.743 76 HA SER 10 HA SER 10 11.326 8.342 -15.224 77 HB2 SER 10 2HB SER 10 9.890 6.514 -16.381 78 HB3 SER 10 3HB SER 10 9.270 6.195 -14.761 79 HG SER 10 HG SER 10 8.373 8.174 -14.696 80 HA PRO 11 HA PRO 11 11.796 7.434 -10.674 81 HB2 PRO 11 2HB PRO 11 13.371 9.583 -10.154 82 HB3 PRO 11 3HB PRO 11 14.017 8.023 -10.677 83 HG2 PRO 11 2HG PRO 11 13.494 10.492 -12.287 84 HG3 PRO 11 3HG PRO 11 14.890 9.399 -12.335 85 HD2 PRO 11 2HD PRO 11 12.892 9.291 -14.159 86 HD3 PRO 11 3HD PRO 11 13.792 7.851 -13.642 87 H HIS 12 H HIS 12 11.246 8.917 -8.851 88 HA HIS 12 HA HIS 12 9.527 11.152 -9.684 89 HB2 HIS 12 2HB HIS 12 7.888 10.445 -7.924 90 HB3 HIS 12 3HB HIS 12 8.009 9.333 -9.284 91 HD1 HIS 12 HD1 HIS 12 7.972 9.375 -5.701 92 HD2 HIS 12 HD2 HIS 12 9.827 7.053 -8.603 93 HE1 HIS 12 HE1 HIS 12 8.649 7.254 -4.533 94 H VAL 13 H VAL 13 10.394 12.916 -8.822 95 HA VAL 13 HA VAL 13 12.153 12.922 -6.613 96 HB VAL 13 HB VAL 13 12.012 15.356 -6.698 97 HG11 VAL 13 1HG1 VAL 13 13.519 14.578 -8.275 98 HG12 VAL 13 2HG1 VAL 13 12.259 13.838 -9.265 99 HG13 VAL 13 3HG1 VAL 13 12.449 15.592 -9.242 100 HG21 VAL 13 3HG2 VAL 13 10.431 16.033 -8.814 101 HG22 VAL 13 1HG2 VAL 13 9.480 14.762 -8.046 102 HG23 VAL 13 2HG2 VAL 13 9.967 16.181 -7.119 103 H ILE 14 H ILE 14 11.867 13.499 -4.486 104 HA ILE 14 HA ILE 14 9.079 13.801 -3.579 105 HB ILE 14 HB ILE 14 11.239 12.420 -1.995 106 HG12 ILE 14 2HG1 ILE 14 10.861 11.099 -3.992 107 HG13 ILE 14 3HG1 ILE 14 10.099 10.300 -2.622 108 HG21 ILE 14 1HG2 ILE 14 9.694 12.911 -0.419 109 HG22 ILE 14 2HG2 ILE 14 8.386 13.061 -1.591 110 HG23 ILE 14 3HG2 ILE 14 8.915 11.465 -1.060 111 HD11 ILE 14 3HD1 ILE 14 8.185 10.260 -3.716 112 HD12 ILE 14 1HD1 ILE 14 8.184 12.021 -3.801 113 HD13 ILE 14 2HD1 ILE 14 8.944 11.076 -5.082 114 H LYS 15 H LYS 15 8.737 15.073 -1.706 115 HA LYS 15 HA LYS 15 10.851 16.436 -0.375 116 HB2 LYS 15 2HB LYS 15 10.197 18.735 -1.160 117 HB3 LYS 15 3HB LYS 15 11.032 17.754 -2.357 118 HG2 LYS 15 2HG LYS 15 9.095 17.413 -3.607 119 HG3 LYS 15 3HG LYS 15 8.041 17.885 -2.272 120 HD2 LYS 15 2HD LYS 15 8.830 20.191 -2.459 121 HD3 LYS 15 3HD LYS 15 9.903 19.722 -3.779 122 HE2 LYS 15 2HE LYS 15 8.148 20.458 -5.018 123 HE3 LYS 15 3HE LYS 15 7.614 18.796 -4.775 124 HZ1 LYS 15 3HZ LYS 15 6.123 19.451 -3.114 125 HZ2 LYS 15 1HZ LYS 15 5.939 20.619 -4.325 126 HZ3 LYS 15 2HZ LYS 15 6.832 20.976 -2.934 127 H SER 16 H SER 16 9.214 15.139 1.011 128 HA SER 16 HA SER 16 7.721 17.009 2.525 129 HB2 SER 16 2HB SER 16 6.247 15.297 0.567 130 HB3 SER 16 3HB SER 16 5.510 15.607 2.139 131 HG SER 16 HG SER 16 5.805 17.866 1.691 132 H LEU 17 H LEU 17 6.960 16.142 4.492 133 HA LEU 17 HA LEU 17 8.457 13.990 5.507 134 HB2 LEU 17 2HB LEU 17 7.110 16.016 6.625 135 HB3 LEU 17 3HB LEU 17 5.937 14.725 6.872 136 HG LEU 17 HG LEU 17 7.795 13.429 8.001 137 HD11 LEU 17 1HD1 LEU 17 9.157 16.061 8.367 138 HD12 LEU 17 2HD1 LEU 17 9.532 15.062 6.963 139 HD13 LEU 17 3HD1 LEU 17 9.786 14.428 8.589 140 HD21 LEU 17 3HD2 LEU 17 7.577 14.706 10.109 141 HD22 LEU 17 1HD2 LEU 17 6.037 14.469 9.283 142 HD23 LEU 17 2HD2 LEU 17 6.851 16.032 9.199 143 H GLU 18 H GLU 18 4.955 14.214 4.864 144 HA GLU 18 HA GLU 18 4.305 11.576 5.458 145 HB2 GLU 18 2HB GLU 18 2.942 13.797 4.535 146 HB3 GLU 18 3HB GLU 18 2.790 12.657 3.205 147 HG2 GLU 18 2HG GLU 18 1.184 11.595 4.282 148 HG3 GLU 18 3HG GLU 18 2.284 11.257 5.617 149 H GLU 19 H GLU 19 5.279 13.010 2.360 150 HA GLU 19 HA GLU 19 5.018 10.697 0.797 151 HB2 GLU 19 2HB GLU 19 5.475 13.188 0.131 152 HB3 GLU 19 3HB GLU 19 7.164 12.715 0.251 153 HG2 GLU 19 2HG GLU 19 6.986 11.187 -1.503 154 HG3 GLU 19 3HG GLU 19 5.225 11.157 -1.416 155 H LEU 20 H LEU 20 7.643 11.861 2.823 156 HA LEU 20 HA LEU 20 9.622 10.050 1.948 157 HB2 LEU 20 2HB LEU 20 9.614 12.185 3.584 158 HB3 LEU 20 3HB LEU 20 9.650 10.890 4.779 159 HG LEU 20 HG LEU 20 11.677 10.006 3.481 160 HD11 LEU 20 1HD1 LEU 20 12.066 12.817 2.589 161 HD12 LEU 20 2HD1 LEU 20 11.084 11.741 1.596 162 HD13 LEU 20 3HD1 LEU 20 12.759 11.323 1.958 163 HD21 LEU 20 3HD2 LEU 20 11.627 11.229 5.713 164 HD22 LEU 20 1HD2 LEU 20 12.094 12.669 4.808 165 HD23 LEU 20 2HD2 LEU 20 13.148 11.254 4.821 166 H ARG 21 H ARG 21 7.774 9.980 5.003 167 HA ARG 21 HA ARG 21 8.502 7.388 5.736 168 HB2 ARG 21 2HB ARG 21 6.769 9.420 6.712 169 HB3 ARG 21 3HB ARG 21 5.856 7.918 6.669 170 HG2 ARG 21 2HG ARG 21 8.060 6.988 7.813 171 HG3 ARG 21 3HG ARG 21 8.196 8.673 8.318 172 HD2 ARG 21 2HD ARG 21 7.013 7.478 10.019 173 HD3 ARG 21 3HD ARG 21 5.866 8.528 9.187 174 HE ARG 21 HE ARG 21 4.747 6.669 8.449 175 HH11 ARG 21 1HH1 ARG 21 7.867 5.726 9.672 176 HH12 ARG 21 2HH1 ARG 21 7.531 4.028 9.590 177 HH21 ARG 21 2HH2 ARG 21 5.497 3.296 8.830 178 HH22 ARG 21 1HH2 ARG 21 4.292 4.436 8.337 179 H GLU 22 H GLU 22 6.205 8.506 3.417 180 HA GLU 22 HA GLU 22 4.662 6.087 3.317 181 HB2 GLU 22 2HB GLU 22 3.613 8.162 2.665 182 HB3 GLU 22 3HB GLU 22 4.841 8.446 1.439 183 HG2 GLU 22 2HG GLU 22 3.651 7.345 -0.057 184 HG3 GLU 22 3HG GLU 22 3.642 5.908 0.963 185 H ALA 23 H ALA 23 7.013 7.607 1.109 186 HA ALA 23 HA ALA 23 7.149 5.546 -0.759 187 HB1 ALA 23 1HB ALA 23 8.432 7.073 -1.727 188 HB2 ALA 23 2HB ALA 23 8.565 7.965 -0.211 189 HB3 ALA 23 3HB ALA 23 9.721 6.687 -0.587 190 H THR 24 H THR 24 8.464 5.760 2.426 191 HA THR 24 HA THR 24 10.492 3.765 2.089 192 HB THR 24 HB THR 24 9.986 3.775 4.780 193 HG1 THR 24 HG1 THR 24 8.711 5.420 5.154 194 HG21 THR 24 3HG2 THR 24 11.733 5.491 3.043 195 HG22 THR 24 1HG2 THR 24 12.179 4.106 4.038 196 HG23 THR 24 2HG2 THR 24 11.765 5.643 4.799 197 H ALA 25 H ALA 25 7.103 3.715 2.601 198 HA ALA 25 HA ALA 25 7.164 0.941 3.549 199 HB1 ALA 25 1HB ALA 25 5.746 2.547 4.769 200 HB2 ALA 25 2HB ALA 25 4.807 2.805 3.298 201 HB3 ALA 25 3HB ALA 25 4.819 1.219 4.069 202 H SER 26 H SER 26 7.536 2.198 0.703 203 HA SER 26 HA SER 26 5.401 1.130 -0.852 204 HB2 SER 26 2HB SER 26 6.849 1.610 -2.784 205 HB3 SER 26 3HB SER 26 6.800 2.978 -1.671 206 HG SER 26 HG SER 26 8.853 1.024 -1.847 207 H ASN 27 H ASN 27 5.858 -0.503 -2.627 208 HA ASN 27 HA ASN 27 7.024 -2.869 -1.380 209 HB2 ASN 27 2HB ASN 27 5.792 -4.153 -2.986 210 HB3 ASN 27 3HB ASN 27 4.710 -2.907 -2.371 211 HD21 ASN 27 2HD2 ASN 27 5.163 -3.270 -6.245 212 HD22 ASN 27 1HD2 ASN 27 5.482 -4.480 -5.053 213 H ARG 28 H ARG 28 8.901 -0.988 -2.214 214 HA ARG 28 HA ARG 28 10.404 -2.583 -4.112 215 HB2 ARG 28 2HB ARG 28 9.849 0.341 -4.646 216 HB3 ARG 28 3HB ARG 28 10.915 -0.696 -5.585 217 HG2 ARG 28 2HG ARG 28 8.879 -2.139 -6.034 218 HG3 ARG 28 3HG ARG 28 7.925 -0.810 -5.373 219 HD2 ARG 28 2HD ARG 28 8.320 0.544 -7.155 220 HD3 ARG 28 3HD ARG 28 9.925 -0.127 -7.445 221 HE ARG 28 HE ARG 28 7.472 -0.964 -8.644 222 HH11 ARG 28 1HH1 ARG 28 10.616 -2.050 -7.615 223 HH12 ARG 28 2HH1 ARG 28 10.673 -3.367 -8.739 224 HH21 ARG 28 2HH2 ARG 28 8.921 -3.733 -10.169 225 HH22 ARG 28 1HH2 ARG 28 7.535 -2.695 -10.128 226 H ILE 29 H ILE 29 12.545 -1.034 -4.577 227 HA ILE 29 HA ILE 29 13.497 -0.284 -1.890 228 HB ILE 29 HB ILE 29 15.122 -1.556 -4.095 229 HG12 ILE 29 2HG1 ILE 29 15.278 -3.340 -2.135 230 HG13 ILE 29 3HG1 ILE 29 13.726 -2.640 -1.688 231 HG21 ILE 29 1HG2 ILE 29 16.724 -1.799 -2.045 232 HG22 ILE 29 2HG2 ILE 29 16.664 -0.289 -2.953 233 HG23 ILE 29 3HG2 ILE 29 15.805 -0.430 -1.419 234 HD11 ILE 29 3HD1 ILE 29 14.161 -3.487 -4.504 235 HD12 ILE 29 1HD1 ILE 29 13.866 -4.713 -3.271 236 HD13 ILE 29 2HD1 ILE 29 12.677 -3.441 -3.552 237 H SER 30 H SER 30 13.567 1.877 -1.877 238 HA SER 30 HA SER 30 14.595 3.278 -4.245 239 HB2 SER 30 2HB SER 30 13.320 4.625 -1.875 240 HB3 SER 30 3HB SER 30 13.430 5.193 -3.541 241 HG SER 30 HG SER 30 11.966 3.526 -4.115 242 H VAL 31 H VAL 31 16.173 4.929 -4.015 243 HA VAL 31 HA VAL 31 17.998 4.445 -1.769 244 HB VAL 31 HB VAL 31 18.740 6.074 -4.170 245 HG11 VAL 31 1HG1 VAL 31 20.522 4.095 -2.860 246 HG12 VAL 31 2HG1 VAL 31 20.893 5.682 -3.536 247 HG13 VAL 31 3HG1 VAL 31 20.113 5.554 -1.959 248 HG21 VAL 31 3HG2 VAL 31 18.518 3.076 -4.042 249 HG22 VAL 31 1HG2 VAL 31 17.823 4.174 -5.234 250 HG23 VAL 31 2HG2 VAL 31 19.566 3.908 -5.191 251 H ILE 32 H ILE 32 17.357 5.761 -0.137 252 HA ILE 32 HA ILE 32 16.480 8.453 -0.565 253 HB ILE 32 HB ILE 32 17.284 7.076 2.000 254 HG12 ILE 32 2HG1 ILE 32 14.515 7.506 1.918 255 HG13 ILE 32 3HG1 ILE 32 14.932 6.896 0.320 256 HG21 ILE 32 1HG2 ILE 32 15.752 8.920 2.949 257 HG22 ILE 32 2HG2 ILE 32 17.401 9.344 2.491 258 HG23 ILE 32 3HG2 ILE 32 16.058 9.746 1.421 259 HD11 ILE 32 3HD1 ILE 32 16.231 5.378 2.402 260 HD12 ILE 32 1HD1 ILE 32 14.480 5.407 2.608 261 HD13 ILE 32 2HD1 ILE 32 15.181 4.836 1.093 262 H VAL 33 H VAL 33 17.997 9.765 -1.444 263 HA VAL 33 HA VAL 33 20.667 9.847 -0.236 264 HB VAL 33 HB VAL 33 19.748 11.317 -2.704 265 HG11 VAL 33 1HG1 VAL 33 22.230 11.209 -3.187 266 HG12 VAL 33 2HG1 VAL 33 21.742 12.265 -1.860 267 HG13 VAL 33 3HG1 VAL 33 22.438 10.681 -1.518 268 HG21 VAL 33 3HG2 VAL 33 21.341 9.227 -3.546 269 HG22 VAL 33 1HG2 VAL 33 20.309 8.491 -2.319 270 HG23 VAL 33 2HG2 VAL 33 19.586 9.322 -3.696 271 H PHE 34 H PHE 34 21.175 11.378 1.175 272 HA PHE 34 HA PHE 34 19.379 13.666 1.491 273 HB2 PHE 34 2HB PHE 34 19.721 12.590 3.558 274 HB3 PHE 34 3HB PHE 34 21.446 12.390 3.267 275 HD1 PHE 34 HD1 PHE 34 22.328 13.413 5.185 276 HD2 PHE 34 HD2 PHE 34 19.481 15.488 2.796 277 HE1 PHE 34 HE1 PHE 34 22.778 15.476 6.447 278 HE2 PHE 34 HE2 PHE 34 19.927 17.555 4.053 279 HZ PHE 34 HZ PHE 34 21.578 17.551 5.881 280 H THR 35 H THR 35 19.898 15.567 0.659 281 HA THR 35 HA THR 35 22.515 16.676 0.827 282 HB THR 35 HB THR 35 22.894 15.171 -1.087 283 HG1 THR 35 HG1 THR 35 23.959 17.216 -1.021 284 HG21 THR 35 3HG2 THR 35 20.741 14.961 -2.063 285 HG22 THR 35 1HG2 THR 35 21.740 15.791 -3.255 286 HG23 THR 35 2HG2 THR 35 20.590 16.705 -2.278 287 H HIS 36 H HIS 36 22.532 18.878 0.441 288 HA HIS 36 HA HIS 36 20.172 20.297 0.756 289 HB2 HIS 36 2HB HIS 36 22.760 21.267 -0.476 290 HB3 HIS 36 3HB HIS 36 21.477 22.299 0.148 291 HD1 HIS 36 HD1 HIS 36 24.643 21.376 1.113 292 HD2 HIS 36 HD2 HIS 36 20.983 21.196 3.071 293 HE1 HIS 36 HE1 HIS 36 25.196 21.284 3.565 294 HA PRO 37 HA PRO 37 18.304 20.261 -3.237 295 HB2 PRO 37 2HB PRO 37 16.647 22.388 -2.916 296 HB3 PRO 37 3HB PRO 37 16.355 20.819 -2.156 297 HG2 PRO 37 2HG PRO 37 17.560 23.297 -0.985 298 HG3 PRO 37 3HG PRO 37 16.376 22.184 -0.273 299 HD2 PRO 37 2HD PRO 37 19.009 22.106 0.354 300 HD3 PRO 37 3HD PRO 37 17.990 20.653 0.329 301 H ASP 38 H ASP 38 19.208 23.486 -2.003 302 HA ASP 38 HA ASP 38 20.074 24.190 -4.730 303 HB2 ASP 38 2HB ASP 38 18.293 25.643 -4.044 304 HB3 ASP 38 3HB ASP 38 19.055 25.932 -2.483 305 H SER 39 H SER 39 22.112 23.126 -4.278 306 HA SER 39 HA SER 39 23.912 24.845 -2.706 307 HB2 SER 39 2HB SER 39 23.599 22.803 -1.442 308 HB3 SER 39 3HB SER 39 23.934 21.823 -2.869 309 HG SER 39 HG SER 39 25.769 23.604 -1.635 310 H LYS 40 H LYS 40 25.391 25.758 -3.950 311 HA LYS 40 HA LYS 40 25.882 24.806 -6.625 312 HB2 LYS 40 2HB LYS 40 25.776 27.258 -5.806 313 HB3 LYS 40 3HB LYS 40 27.428 26.996 -5.261 314 HG2 LYS 40 2HG LYS 40 27.536 26.077 -7.825 315 HG3 LYS 40 3HG LYS 40 26.376 27.401 -7.957 316 HD2 LYS 40 2HD LYS 40 28.263 28.629 -8.210 317 HD3 LYS 40 3HD LYS 40 28.244 28.595 -6.445 318 HE2 LYS 40 2HE LYS 40 30.307 27.753 -6.589 319 HE3 LYS 40 3HE LYS 40 29.533 26.254 -7.102 320 HZ1 LYS 40 3HZ LYS 40 29.663 27.283 -9.430 321 HZ2 LYS 40 1HZ LYS 40 31.084 26.663 -8.752 322 HZ3 LYS 40 2HZ LYS 40 30.810 28.332 -8.761 323 H ARG 41 H ARG 41 27.879 25.296 -3.715 324 HA ARG 41 HA ARG 41 30.223 24.156 -4.797 325 HB2 ARG 41 2HB ARG 41 29.291 25.053 -2.158 326 HB3 ARG 41 3HB ARG 41 30.476 23.755 -2.101 327 HG2 ARG 41 2HG ARG 41 32.017 25.087 -3.436 328 HG3 ARG 41 3HG ARG 41 30.825 26.386 -3.522 329 HD2 ARG 41 2HD ARG 41 30.874 26.436 -1.002 330 HD3 ARG 41 3HD ARG 41 32.263 25.353 -1.088 331 HE ARG 41 HE ARG 41 32.884 27.478 -2.716 332 HH11 ARG 41 1HH1 ARG 41 32.056 27.034 0.636 333 HH12 ARG 41 2HH1 ARG 41 32.984 28.392 1.180 334 HH21 ARG 41 2HH2 ARG 41 34.150 29.663 -0.327 335 HH22 ARG 41 1HH2 ARG 41 34.109 29.269 -2.012 336 H SER 42 H SER 42 27.469 22.796 -3.102 337 HA SER 42 HA SER 42 28.692 20.126 -3.297 338 HB2 SER 42 2HB SER 42 26.217 20.597 -1.694 339 HB3 SER 42 3HB SER 42 27.545 19.473 -1.406 340 HG SER 42 HG SER 42 27.567 21.215 0.074 341 H LYS 43 H LYS 43 26.666 18.443 -3.290 342 HA LYS 43 HA LYS 43 25.071 17.439 -4.564 343 HB2 LYS 43 2HB LYS 43 24.173 20.114 -4.187 344 HB3 LYS 43 3HB LYS 43 23.807 19.655 -5.845 345 HG2 LYS 43 2HG LYS 43 22.934 17.461 -4.600 346 HG3 LYS 43 3HG LYS 43 22.704 18.634 -3.302 347 HD2 LYS 43 2HD LYS 43 20.676 18.533 -4.563 348 HD3 LYS 43 3HD LYS 43 21.462 20.071 -4.930 349 HE2 LYS 43 2HE LYS 43 22.508 18.392 -6.831 350 HE3 LYS 43 3HE LYS 43 20.854 17.804 -6.671 351 HZ1 LYS 43 3HZ LYS 43 21.820 20.399 -7.622 352 HZ2 LYS 43 1HZ LYS 43 20.334 20.355 -6.814 353 HZ3 LYS 43 2HZ LYS 43 20.563 19.433 -8.213 354 H GLU 44 H GLU 44 27.692 18.625 -5.700 355 HA GLU 44 HA GLU 44 27.089 18.940 -8.505 356 HB2 GLU 44 2HB GLU 44 29.758 18.666 -7.109 357 HB3 GLU 44 3HB GLU 44 29.518 19.146 -8.784 358 HG2 GLU 44 2HG GLU 44 27.965 20.840 -7.092 359 HG3 GLU 44 3HG GLU 44 29.625 20.783 -6.501 360 H ILE 45 H ILE 45 28.510 16.470 -6.418 361 HA ILE 45 HA ILE 45 29.228 14.685 -8.501 362 HB ILE 45 HB ILE 45 29.389 12.976 -6.725 363 HG12 ILE 45 2HG1 ILE 45 29.110 14.103 -4.334 364 HG13 ILE 45 3HG1 ILE 45 27.930 15.083 -5.197 365 HG21 ILE 45 1HG2 ILE 45 30.866 15.369 -6.977 366 HG22 ILE 45 2HG2 ILE 45 30.750 15.004 -5.256 367 HG23 ILE 45 3HG2 ILE 45 31.414 13.808 -6.368 368 HD11 ILE 45 3HD1 ILE 45 26.521 13.315 -5.554 369 HD12 ILE 45 1HD1 ILE 45 27.815 12.121 -5.450 370 HD13 ILE 45 2HD1 ILE 45 27.209 12.895 -3.986 371 H LYS 46 H LYS 46 26.230 15.587 -7.264 372 HA LYS 46 HA LYS 46 24.673 13.344 -7.174 373 HB2 LYS 46 2HB LYS 46 24.075 16.080 -8.287 374 HB3 LYS 46 3HB LYS 46 22.844 14.828 -8.181 375 HG2 LYS 46 2HG LYS 46 24.421 15.891 -5.846 376 HG3 LYS 46 3HG LYS 46 22.791 16.404 -6.290 377 HD2 LYS 46 2HD LYS 46 21.872 14.617 -5.317 378 HD3 LYS 46 3HD LYS 46 23.008 13.517 -6.102 379 HE2 LYS 46 2HE LYS 46 24.297 15.072 -4.034 380 HE3 LYS 46 3HE LYS 46 22.910 14.187 -3.400 381 HZ1 LYS 46 3HZ LYS 46 23.895 12.202 -3.762 382 HZ2 LYS 46 1HZ LYS 46 25.311 13.116 -3.617 383 HZ3 LYS 46 2HZ LYS 46 24.717 12.715 -5.149 384 H GLU 47 H GLU 47 25.777 15.058 -10.066 385 HA GLU 47 HA GLU 47 24.337 13.810 -12.034 386 HB2 GLU 47 2HB GLU 47 26.401 15.546 -12.037 387 HB3 GLU 47 3HB GLU 47 27.231 14.098 -12.588 388 HG2 GLU 47 2HG GLU 47 26.586 15.033 -14.573 389 HG3 GLU 47 3HG GLU 47 25.248 13.928 -14.263 390 H LYS 48 H LYS 48 27.203 12.595 -10.363 391 HA LYS 48 HA LYS 48 27.700 10.325 -11.886 392 HB2 LYS 48 2HB LYS 48 27.993 10.521 -8.885 393 HB3 LYS 48 3HB LYS 48 28.875 9.451 -9.967 394 HG2 LYS 48 2HG LYS 48 29.228 12.163 -10.808 395 HG3 LYS 48 3HG LYS 48 29.610 12.013 -9.091 396 HD2 LYS 48 2HD LYS 48 31.172 10.228 -9.553 397 HD3 LYS 48 3HD LYS 48 30.723 10.235 -11.261 398 HE2 LYS 48 2HE LYS 48 32.115 12.428 -9.730 399 HE3 LYS 48 3HE LYS 48 32.803 11.412 -10.996 400 HZ1 LYS 48 3HZ LYS 48 32.219 13.045 -12.369 401 HZ2 LYS 48 1HZ LYS 48 31.217 13.788 -11.226 402 HZ3 LYS 48 2HZ LYS 48 30.622 12.522 -12.176 403 H LEU 49 H LEU 49 25.444 10.792 -9.202 404 HA LEU 49 HA LEU 49 24.593 8.060 -9.155 405 HB2 LEU 49 2HB LEU 49 24.488 9.642 -7.220 406 HB3 LEU 49 3HB LEU 49 23.169 10.471 -8.043 407 HG LEU 49 HG LEU 49 21.897 8.298 -7.962 408 HD11 LEU 49 1HD1 LEU 49 23.569 6.681 -7.633 409 HD12 LEU 49 2HD1 LEU 49 22.691 6.757 -6.107 410 HD13 LEU 49 3HD1 LEU 49 24.258 7.550 -6.262 411 HD21 LEU 49 3HD2 LEU 49 21.157 9.877 -6.441 412 HD22 LEU 49 1HD2 LEU 49 22.674 9.873 -5.540 413 HD23 LEU 49 2HD2 LEU 49 21.561 8.512 -5.399 414 H LYS 50 H LYS 50 23.582 10.963 -10.802 415 HA LYS 50 HA LYS 50 21.014 10.088 -11.603 416 HB2 LYS 50 2HB LYS 50 22.746 12.349 -12.099 417 HB3 LYS 50 3HB LYS 50 21.971 11.824 -13.588 418 HG2 LYS 50 2HG LYS 50 19.809 12.153 -12.689 419 HG3 LYS 50 3HG LYS 50 20.444 12.345 -11.053 420 HD2 LYS 50 2HD LYS 50 21.487 14.219 -13.084 421 HD3 LYS 50 3HD LYS 50 19.786 14.410 -12.649 422 HE2 LYS 50 2HE LYS 50 20.860 14.154 -10.200 423 HE3 LYS 50 3HE LYS 50 22.227 14.875 -11.048 424 HZ1 LYS 50 3HZ LYS 50 21.241 16.828 -10.823 425 HZ2 LYS 50 1HZ LYS 50 19.875 16.119 -10.120 426 HZ3 LYS 50 2HZ LYS 50 19.965 16.297 -11.799 427 H LYS 51 H LYS 51 24.191 9.942 -13.169 428 HA LYS 51 HA LYS 51 23.299 8.784 -15.584 429 HB2 LYS 51 2HB LYS 51 25.927 9.108 -14.219 430 HB3 LYS 51 3HB LYS 51 25.822 7.933 -15.524 431 HG2 LYS 51 2HG LYS 51 25.204 9.597 -17.093 432 HG3 LYS 51 3HG LYS 51 24.952 10.795 -15.821 433 HD2 LYS 51 2HD LYS 51 27.217 11.102 -15.479 434 HD3 LYS 51 3HD LYS 51 27.636 9.519 -16.139 435 HE2 LYS 51 2HE LYS 51 26.608 11.862 -17.737 436 HE3 LYS 51 3HE LYS 51 28.297 11.369 -17.626 437 HZ1 LYS 51 3HZ LYS 51 27.524 10.417 -19.591 438 HZ2 LYS 51 1HZ LYS 51 26.050 9.941 -18.910 439 HZ3 LYS 51 2HZ LYS 51 27.477 9.138 -18.485 440 H LEU 52 H LEU 52 24.119 7.448 -12.466 441 HA LEU 52 HA LEU 52 24.548 4.783 -13.127 442 HB2 LEU 52 2HB LEU 52 24.953 5.605 -10.906 443 HB3 LEU 52 3HB LEU 52 23.247 5.993 -10.695 444 HG LEU 52 HG LEU 52 23.904 3.158 -11.236 445 HD11 LEU 52 1HD1 LEU 52 24.589 4.535 -8.646 446 HD12 LEU 52 2HD1 LEU 52 25.684 3.656 -9.713 447 HD13 LEU 52 3HD1 LEU 52 24.424 2.789 -8.835 448 HD21 LEU 52 3HD2 LEU 52 22.141 2.841 -9.542 449 HD22 LEU 52 1HD2 LEU 52 21.613 3.847 -10.890 450 HD23 LEU 52 2HD2 LEU 52 22.038 4.592 -9.349 451 H ALA 53 H ALA 53 21.649 6.636 -13.206 452 HA ALA 53 HA ALA 53 19.670 4.736 -12.850 453 HB1 ALA 53 1HB ALA 53 19.585 7.314 -13.394 454 HB2 ALA 53 2HB ALA 53 19.330 6.723 -15.036 455 HB3 ALA 53 3HB ALA 53 18.219 6.256 -13.749 456 H GLU 54 H GLU 54 21.893 5.126 -15.481 457 HA GLU 54 HA GLU 54 20.403 3.523 -17.346 458 HB2 GLU 54 2HB GLU 54 21.962 5.269 -18.109 459 HB3 GLU 54 3HB GLU 54 23.301 4.382 -17.394 460 HG2 GLU 54 2HG GLU 54 21.852 2.649 -19.140 461 HG3 GLU 54 3HG GLU 54 22.243 4.144 -19.987 462 H GLU 55 H GLU 55 23.146 3.028 -15.172 463 HA GLU 55 HA GLU 55 23.829 0.436 -15.983 464 HB2 GLU 55 2HB GLU 55 25.436 1.330 -14.611 465 HB3 GLU 55 3HB GLU 55 24.260 2.070 -13.534 466 HG2 GLU 55 2HG GLU 55 24.449 -0.894 -13.604 467 HG3 GLU 55 3HG GLU 55 25.715 0.016 -12.783 468 H PHE 56 H PHE 56 21.294 1.616 -13.898 469 HA PHE 56 HA PHE 56 19.940 -0.906 -13.993 470 HB2 PHE 56 2HB PHE 56 21.672 -1.112 -12.104 471 HB3 PHE 56 3HB PHE 56 20.671 0.042 -11.229 472 HD1 PHE 56 HD1 PHE 56 19.823 -2.879 -13.385 473 HD2 PHE 56 HD2 PHE 56 19.570 -1.064 -9.544 474 HE1 PHE 56 HE1 PHE 56 18.385 -4.721 -12.613 475 HE2 PHE 56 HE2 PHE 56 18.132 -2.903 -8.765 476 HZ PHE 56 HZ PHE 56 17.539 -4.735 -10.300 477 HA PRO 57 HA PRO 57 17.282 2.868 -13.650 478 HB2 PRO 57 2HB PRO 57 15.642 2.172 -15.699 479 HB3 PRO 57 3HB PRO 57 17.158 3.049 -15.937 480 HG2 PRO 57 2HG PRO 57 16.588 0.130 -16.269 481 HG3 PRO 57 3HG PRO 57 17.535 1.209 -17.308 482 HD2 PRO 57 2HD PRO 57 18.684 -0.488 -15.539 483 HD3 PRO 57 3HD PRO 57 19.397 1.084 -15.955 484 H ASP 58 H ASP 58 16.935 -0.477 -13.293 485 HA ASP 58 HA ASP 58 14.154 -0.732 -12.926 486 HB2 ASP 58 2HB ASP 58 15.093 -2.808 -13.076 487 HB3 ASP 58 3HB ASP 58 16.557 -2.325 -12.223 488 H VAL 59 H VAL 59 16.758 -0.318 -10.526 489 HA VAL 59 HA VAL 59 15.048 -0.097 -8.295 490 HB VAL 59 HB VAL 59 17.523 -0.570 -8.225 491 HG11 VAL 59 1HG1 VAL 59 18.230 1.228 -9.733 492 HG12 VAL 59 2HG1 VAL 59 17.725 2.424 -8.538 493 HG13 VAL 59 3HG1 VAL 59 19.054 1.322 -8.177 494 HG21 VAL 59 3HG2 VAL 59 16.651 1.700 -6.443 495 HG22 VAL 59 1HG2 VAL 59 16.120 0.030 -6.244 496 HG23 VAL 59 2HG2 VAL 59 17.828 0.438 -6.078 497 H ASP 60 H ASP 60 14.612 1.794 -7.002 498 HA ASP 60 HA ASP 60 14.012 4.114 -8.672 499 HB2 ASP 60 2HB ASP 60 13.139 4.183 -5.869 500 HB3 ASP 60 3HB ASP 60 12.217 4.458 -7.345 501 H ILE 61 H ILE 61 15.387 5.752 -8.715 502 HA ILE 61 HA ILE 61 17.007 6.295 -6.313 503 HB ILE 61 HB ILE 61 17.779 7.155 -9.089 504 HG12 ILE 61 2HG1 ILE 61 19.415 5.015 -8.479 505 HG13 ILE 61 3HG1 ILE 61 17.835 4.467 -7.930 506 HG21 ILE 61 1HG2 ILE 61 19.014 7.147 -6.404 507 HG22 ILE 61 2HG2 ILE 61 20.073 6.783 -7.764 508 HG23 ILE 61 3HG2 ILE 61 19.178 8.301 -7.727 509 HD11 ILE 61 3HD1 ILE 61 18.711 4.119 -10.416 510 HD12 ILE 61 1HD1 ILE 61 17.005 4.336 -10.024 511 HD13 ILE 61 2HD1 ILE 61 17.957 5.701 -10.609 512 H TYR 62 H TYR 62 15.978 7.898 -5.272 513 HA TYR 62 HA TYR 62 15.380 10.338 -6.807 514 HB2 TYR 62 2HB TYR 62 13.376 10.705 -5.596 515 HB3 TYR 62 3HB TYR 62 13.329 9.016 -6.085 516 HD1 TYR 62 HD1 TYR 62 12.899 11.236 -3.396 517 HD2 TYR 62 HD2 TYR 62 14.301 7.324 -4.308 518 HE1 TYR 62 HE1 TYR 62 12.557 10.574 -1.052 519 HE2 TYR 62 HE2 TYR 62 13.962 6.651 -1.967 520 HH TYR 62 HH TYR 62 13.056 8.979 0.502 521 H LEU 63 H LEU 63 15.579 12.321 -5.646 522 HA LEU 63 HA LEU 63 17.548 12.150 -3.484 523 HB2 LEU 63 2HB LEU 63 16.855 14.192 -5.536 524 HB3 LEU 63 3HB LEU 63 17.577 14.732 -4.021 525 HG LEU 63 HG LEU 63 19.561 13.438 -4.447 526 HD11 LEU 63 1HD1 LEU 63 18.904 11.476 -5.478 527 HD12 LEU 63 2HD1 LEU 63 19.698 12.345 -6.791 528 HD13 LEU 63 3HD1 LEU 63 17.938 12.315 -6.692 529 HD21 LEU 63 3HD2 LEU 63 20.119 14.438 -6.799 530 HD22 LEU 63 1HD2 LEU 63 19.859 15.500 -5.415 531 HD23 LEU 63 2HD2 LEU 63 18.569 15.256 -6.594 532 H VAL 64 H VAL 64 17.343 13.409 -1.586 533 HA VAL 64 HA VAL 64 14.610 14.351 -1.016 534 HB VAL 64 HB VAL 64 16.392 12.963 0.986 535 HG11 VAL 64 1HG1 VAL 64 14.855 14.452 2.049 536 HG12 VAL 64 2HG1 VAL 64 13.518 13.865 1.058 537 HG13 VAL 64 3HG1 VAL 64 14.251 12.809 2.266 538 HG21 VAL 64 3HG2 VAL 64 14.249 11.892 -0.814 539 HG22 VAL 64 1HG2 VAL 64 15.852 11.238 -0.480 540 HG23 VAL 64 2HG2 VAL 64 14.587 11.138 0.744 541 H ASP 65 H ASP 65 14.415 16.225 0.128 542 HA ASP 65 HA ASP 65 16.927 17.624 0.770 543 HB2 ASP 65 2HB ASP 65 15.181 19.653 0.617 544 HB3 ASP 65 3HB ASP 65 16.049 19.040 -0.788 545 H THR 66 H THR 66 17.298 18.117 2.826 546 HA THR 66 HA THR 66 15.709 17.274 4.939 547 HB THR 66 HB THR 66 17.101 19.301 6.106 548 HG1 THR 66 HG1 THR 66 17.949 19.882 3.996 549 HG21 THR 66 3HG2 THR 66 18.897 17.594 6.467 550 HG22 THR 66 1HG2 THR 66 18.070 16.556 5.307 551 HG23 THR 66 2HG2 THR 66 17.267 17.014 6.809 552 H SER 67 H SER 67 15.463 20.114 3.008 553 HA SER 67 HA SER 67 14.268 21.951 4.674 554 HB2 SER 67 2HB SER 67 14.728 21.793 1.975 555 HB3 SER 67 3HB SER 67 12.966 21.750 2.045 556 HG SER 67 HG SER 67 14.591 23.843 2.354 557 H THR 68 H THR 68 12.968 18.988 3.414 558 HA THR 68 HA THR 68 10.305 19.652 4.462 559 HB THR 68 HB THR 68 9.581 17.561 3.257 560 HG1 THR 68 HG1 THR 68 11.144 16.929 1.563 561 HG21 THR 68 3HG2 THR 68 10.404 18.822 0.928 562 HG22 THR 68 1HG2 THR 68 10.386 20.112 2.129 563 HG23 THR 68 2HG2 THR 68 8.931 19.159 1.835 564 H ASN 69 H ASN 69 13.041 17.552 4.901 565 HA ASN 69 HA ASN 69 11.713 16.392 7.255 566 HB2 ASN 69 2HB ASN 69 12.829 14.244 6.812 567 HB3 ASN 69 3HB ASN 69 11.754 14.692 5.490 568 HD21 ASN 69 2HD2 ASN 69 15.412 13.691 4.613 569 HD22 ASN 69 1HD2 ASN 69 14.490 13.206 5.991 570 HA PRO 70 HA PRO 70 15.829 18.379 8.251 571 HB2 PRO 70 2HB PRO 70 14.879 19.957 10.246 572 HB3 PRO 70 3HB PRO 70 14.900 20.459 8.552 573 HG2 PRO 70 2HG PRO 70 12.637 19.358 10.174 574 HG3 PRO 70 3HG PRO 70 12.635 20.705 9.020 575 HD2 PRO 70 2HD PRO 70 11.734 18.234 8.377 576 HD3 PRO 70 3HD PRO 70 12.512 19.304 7.194 577 H GLU 71 H GLU 71 13.223 17.468 10.510 578 HA GLU 71 HA GLU 71 14.863 16.834 12.688 579 HB2 GLU 71 2HB GLU 71 12.122 15.871 11.884 580 HB3 GLU 71 3HB GLU 71 12.892 15.368 13.382 581 HG2 GLU 71 2HG GLU 71 12.586 17.368 14.377 582 HG3 GLU 71 3HG GLU 71 12.799 18.271 12.878 583 H ALA 72 H ALA 72 14.128 15.079 9.793 584 HA ALA 72 HA ALA 72 14.601 12.457 10.519 585 HB1 ALA 72 1HB ALA 72 15.287 12.085 8.191 586 HB2 ALA 72 2HB ALA 72 13.836 13.081 8.302 587 HB3 ALA 72 3HB ALA 72 15.394 13.829 7.953 588 H ARG 73 H ARG 73 16.957 14.966 9.669 589 HA ARG 73 HA ARG 73 19.274 13.477 9.608 590 HB2 ARG 73 2HB ARG 73 18.578 16.274 10.012 591 HB3 ARG 73 3HB ARG 73 20.029 15.821 10.896 592 HG2 ARG 73 2HG ARG 73 19.989 14.831 8.154 593 HG3 ARG 73 3HG ARG 73 19.929 16.591 8.275 594 HD2 ARG 73 2HD ARG 73 21.845 15.620 10.142 595 HD3 ARG 73 3HD ARG 73 22.163 14.871 8.578 596 HE ARG 73 HE ARG 73 22.777 16.925 7.745 597 HH11 ARG 73 1HH1 ARG 73 21.252 17.321 10.850 598 HH12 ARG 73 2HH1 ARG 73 21.686 18.992 10.996 599 HH21 ARG 73 2HH2 ARG 73 22.882 20.017 9.332 600 HH22 ARG 73 1HH2 ARG 73 23.355 19.124 7.926 601 H GLU 74 H GLU 74 18.173 15.316 12.464 602 HA GLU 74 HA GLU 74 19.950 14.069 14.252 603 HB2 GLU 74 2HB GLU 74 17.600 15.848 14.464 604 HB3 GLU 74 3HB GLU 74 17.950 14.882 15.891 605 HG2 GLU 74 2HG GLU 74 19.873 15.987 16.344 606 HG3 GLU 74 3HG GLU 74 20.222 16.306 14.646 607 H TRP 75 H TRP 75 16.809 13.165 13.071 608 HA TRP 75 HA TRP 75 15.905 11.427 15.010 609 HB2 TRP 75 2HB TRP 75 14.818 12.110 12.773 610 HB3 TRP 75 3HB TRP 75 15.707 10.756 12.082 611 HD1 TRP 75 HD1 TRP 75 15.239 8.347 13.677 612 HE1 TRP 75 HE1 TRP 75 12.922 7.437 14.335 613 HE3 TRP 75 HE3 TRP 75 12.503 12.632 13.142 614 HZ2 TRP 75 HZ2 TRP 75 10.284 8.408 14.591 615 HZ3 TRP 75 HZ3 TRP 75 10.089 12.557 13.612 616 HH2 TRP 75 HH2 TRP 75 9.004 10.487 14.321 617 H TYR 76 H TYR 76 18.429 10.944 12.622 618 HA TYR 76 HA TYR 76 19.061 8.374 13.911 619 HB2 TYR 76 2HB TYR 76 18.053 8.118 11.612 620 HB3 TYR 76 3HB TYR 76 19.464 8.955 10.973 621 HD1 TYR 76 HD1 TYR 76 19.007 6.245 13.513 622 HD2 TYR 76 HD2 TYR 76 20.863 7.480 9.889 623 HE1 TYR 76 HE1 TYR 76 20.222 4.109 13.414 624 HE2 TYR 76 HE2 TYR 76 22.082 5.347 9.779 625 HH TYR 76 HH TYR 76 22.366 3.258 12.363 626 H ASN 77 H ASN 77 20.033 11.364 13.822 627 HA ASN 77 HA ASN 77 22.006 12.498 13.963 628 HB2 ASN 77 2HB ASN 77 22.414 11.269 15.929 629 HB3 ASN 77 3HB ASN 77 22.716 9.779 15.040 630 HD21 ASN 77 2HD2 ASN 77 25.647 12.610 15.359 631 HD22 ASN 77 1HD2 ASN 77 23.983 13.040 15.538 632 H ILE 78 H ILE 78 22.343 12.947 11.784 633 HA ILE 78 HA ILE 78 24.145 11.115 10.348 634 HB ILE 78 HB ILE 78 22.074 13.056 9.404 635 HG12 ILE 78 2HG1 ILE 78 21.589 10.623 9.666 636 HG13 ILE 78 3HG1 ILE 78 21.388 11.199 8.015 637 HG21 ILE 78 1HG2 ILE 78 23.857 13.864 8.135 638 HG22 ILE 78 2HG2 ILE 78 24.568 12.262 7.943 639 HG23 ILE 78 3HG2 ILE 78 23.089 12.680 7.078 640 HD11 ILE 78 3HD1 ILE 78 22.939 9.044 8.930 641 HD12 ILE 78 1HD1 ILE 78 22.801 9.669 7.287 642 HD13 ILE 78 2HD1 ILE 78 24.062 10.278 8.360 643 H THR 79 H THR 79 26.204 11.694 10.360 644 HA THR 79 HA THR 79 26.929 14.490 10.795 645 HB THR 79 HB THR 79 29.308 13.425 10.837 646 HG1 THR 79 HG1 THR 79 28.960 11.154 11.693 647 HG21 THR 79 3HG2 THR 79 27.224 12.945 12.966 648 HG22 THR 79 1HG2 THR 79 28.310 14.326 12.822 649 HG23 THR 79 2HG2 THR 79 28.957 12.734 13.220 650 H SER 80 H SER 80 27.106 11.980 8.366 651 HA SER 80 HA SER 80 28.631 13.754 6.595 652 HB2 SER 80 2HB SER 80 28.483 11.511 5.153 653 HB3 SER 80 3HB SER 80 29.699 11.731 6.411 654 HG SER 80 HG SER 80 28.530 10.468 7.772 655 H VAL 81 H VAL 81 27.131 15.174 5.816 656 HA VAL 81 HA VAL 81 24.535 14.982 5.223 657 HB VAL 81 HB VAL 81 25.776 16.120 2.885 658 HG11 VAL 81 1HG1 VAL 81 24.522 17.513 5.242 659 HG12 VAL 81 2HG1 VAL 81 24.627 18.086 3.577 660 HG13 VAL 81 3HG1 VAL 81 23.593 16.713 3.975 661 HG21 VAL 81 3HG2 VAL 81 26.902 17.050 5.526 662 HG22 VAL 81 1HG2 VAL 81 27.793 16.157 4.293 663 HG23 VAL 81 2HG2 VAL 81 27.195 17.780 3.947 664 HA PRO 82 HA PRO 82 25.254 12.848 0.947 665 HB2 PRO 82 2HB PRO 82 27.746 11.907 0.428 666 HB3 PRO 82 3HB PRO 82 27.233 13.546 0.012 667 HG2 PRO 82 2HG PRO 82 28.828 12.599 2.361 668 HG3 PRO 82 3HG PRO 82 29.083 14.024 1.337 669 HD2 PRO 82 2HD PRO 82 27.910 14.172 3.773 670 HD3 PRO 82 3HD PRO 82 27.476 15.258 2.438 671 H THR 83 H THR 83 24.063 11.443 2.521 672 HA THR 83 HA THR 83 25.550 8.983 3.155 673 HB THR 83 HB THR 83 22.855 9.200 4.279 674 HG1 THR 83 HG1 THR 83 24.802 10.930 5.391 675 HG21 THR 83 3HG2 THR 83 25.234 9.014 6.009 676 HG22 THR 83 1HG2 THR 83 25.076 7.742 4.799 677 HG23 THR 83 2HG2 THR 83 23.782 8.015 5.967 678 H PHE 84 H PHE 84 24.266 6.947 2.995 679 HA PHE 84 HA PHE 84 22.260 7.026 0.854 680 HB2 PHE 84 2HB PHE 84 24.900 5.696 0.811 681 HB3 PHE 84 3HB PHE 84 23.549 4.723 0.239 682 HD1 PHE 84 HD1 PHE 84 26.078 6.766 -0.825 683 HD2 PHE 84 HD2 PHE 84 21.888 6.220 -1.335 684 HE1 PHE 84 HE1 PHE 84 26.201 7.891 -3.009 685 HE2 PHE 84 HE2 PHE 84 22.004 7.344 -3.521 686 HZ PHE 84 HZ PHE 84 24.163 8.180 -4.361 687 H VAL 85 H VAL 85 20.479 6.270 1.795 688 HA VAL 85 HA VAL 85 20.716 3.950 3.595 689 HB VAL 85 HB VAL 85 18.299 5.725 3.484 690 HG11 VAL 85 1HG1 VAL 85 18.371 3.467 4.664 691 HG12 VAL 85 2HG1 VAL 85 19.447 4.240 5.829 692 HG13 VAL 85 3HG1 VAL 85 17.806 4.847 5.605 693 HG21 VAL 85 3HG2 VAL 85 19.639 7.434 4.088 694 HG22 VAL 85 1HG2 VAL 85 19.599 6.648 5.666 695 HG23 VAL 85 2HG2 VAL 85 20.956 6.367 4.575 696 H ILE 86 H ILE 86 19.668 2.105 3.122 697 HA ILE 86 HA ILE 86 17.970 2.098 0.714 698 HB ILE 86 HB ILE 86 19.347 -0.345 1.786 699 HG12 ILE 86 2HG1 ILE 86 20.494 1.572 -0.254 700 HG13 ILE 86 3HG1 ILE 86 21.044 1.444 1.413 701 HG21 ILE 86 1HG2 ILE 86 19.268 -0.643 -0.870 702 HG22 ILE 86 2HG2 ILE 86 17.939 -1.112 0.188 703 HG23 ILE 86 3HG2 ILE 86 17.885 0.432 -0.662 704 HD11 ILE 86 3HD1 ILE 86 21.505 -0.349 -0.884 705 HD12 ILE 86 1HD1 ILE 86 22.572 0.095 0.447 706 HD13 ILE 86 2HD1 ILE 86 21.304 -1.106 0.696 707 H GLU 87 H GLU 87 15.899 1.606 0.981 708 HA GLU 87 HA GLU 87 15.119 0.023 3.339 709 HB2 GLU 87 2HB GLU 87 13.103 1.372 3.558 710 HB3 GLU 87 3HB GLU 87 14.534 2.387 3.668 711 HG2 GLU 87 2HG GLU 87 13.157 3.631 2.314 712 HG3 GLU 87 3HG GLU 87 14.156 2.776 1.140 713 H LYS 88 H LYS 88 13.288 -1.321 3.100 714 HA LYS 88 HA LYS 88 12.317 -1.700 0.355 715 HB2 LYS 88 2HB LYS 88 14.084 -3.349 0.716 716 HB3 LYS 88 3HB LYS 88 13.295 -3.896 2.189 717 HG2 LYS 88 2HG LYS 88 11.330 -4.121 0.253 718 HG3 LYS 88 3HG LYS 88 12.806 -4.641 -0.562 719 HD2 LYS 88 2HD LYS 88 13.042 -6.478 0.751 720 HD3 LYS 88 3HD LYS 88 12.365 -5.681 2.173 721 HE2 LYS 88 2HE LYS 88 10.423 -6.033 0.032 722 HE3 LYS 88 3HE LYS 88 11.099 -7.559 0.600 723 HZ1 LYS 88 3HZ LYS 88 10.593 -6.568 2.920 724 HZ2 LYS 88 1HZ LYS 88 9.335 -7.249 2.016 725 HZ3 LYS 88 2HZ LYS 88 9.518 -5.569 2.079 726 H GLY 89 H GLY 89 10.539 -0.452 1.432 727 HA2 GLY 89 2HA GLY 89 8.488 -0.335 2.475 728 HA3 GLY 89 3HA GLY 89 8.289 -1.958 1.831 729 H GLY 90 H GLY 90 10.327 -0.595 4.423 730 HA2 GLY 90 2HA GLY 90 8.856 -1.691 6.556 731 HA3 GLY 90 3HA GLY 90 10.109 -2.835 6.099 732 H GLU 91 H GLU 91 12.299 -2.268 6.375 733 HA GLU 91 HA GLU 91 12.840 0.208 7.840 734 HB2 GLU 91 2HB GLU 91 12.990 -2.522 8.919 735 HB3 GLU 91 3HB GLU 91 14.440 -1.561 9.180 736 HG2 GLU 91 2HG GLU 91 12.984 0.220 10.154 737 HG3 GLU 91 3HG GLU 91 11.638 -0.915 10.056 738 HA PRO 92 HA PRO 92 16.584 0.406 5.564 739 HB2 PRO 92 2HB PRO 92 18.392 1.262 7.400 740 HB3 PRO 92 3HB PRO 92 17.119 2.301 6.749 741 HG2 PRO 92 2HG PRO 92 17.207 0.811 9.345 742 HG3 PRO 92 3HG PRO 92 16.655 2.465 9.022 743 HD2 PRO 92 2HD PRO 92 14.942 0.389 9.320 744 HD3 PRO 92 3HD PRO 92 14.601 1.762 8.248 745 H LEU 93 H LEU 93 17.723 -1.260 4.818 746 HA LEU 93 HA LEU 93 18.922 -3.132 6.750 747 HB2 LEU 93 2HB LEU 93 17.127 -3.784 4.899 748 HB3 LEU 93 3HB LEU 93 18.575 -3.884 3.899 749 HG LEU 93 HG LEU 93 18.867 -5.316 6.413 750 HD11 LEU 93 1HD1 LEU 93 17.356 -7.198 5.590 751 HD12 LEU 93 2HD1 LEU 93 16.562 -5.969 4.607 752 HD13 LEU 93 3HD1 LEU 93 16.581 -5.815 6.363 753 HD21 LEU 93 3HD2 LEU 93 19.002 -6.243 3.548 754 HD22 LEU 93 1HD2 LEU 93 19.697 -7.040 4.960 755 HD23 LEU 93 2HD2 LEU 93 20.336 -5.486 4.421 756 H GLY 94 H GLY 94 19.537 -0.892 4.228 757 HA2 GLY 94 2HA GLY 94 22.356 -1.778 4.133 758 HA3 GLY 94 3HA GLY 94 21.530 -1.043 2.767 759 H GLU 95 H GLU 95 23.966 -0.294 4.395 760 HA GLU 95 HA GLU 95 23.253 2.525 4.674 761 HB2 GLU 95 2HB GLU 95 24.190 2.776 6.837 762 HB3 GLU 95 3HB GLU 95 23.112 1.391 6.933 763 HG2 GLU 95 2HG GLU 95 25.417 0.149 6.319 764 HG3 GLU 95 3HG GLU 95 26.037 1.541 7.206 765 H VAL 96 H VAL 96 24.759 3.842 3.850 766 HA VAL 96 HA VAL 96 27.540 3.011 3.697 767 HB VAL 96 HB VAL 96 25.963 3.670 1.205 768 HG11 VAL 96 1HG1 VAL 96 28.906 3.154 1.609 769 HG12 VAL 96 2HG1 VAL 96 28.107 3.224 0.037 770 HG13 VAL 96 3HG1 VAL 96 28.154 4.654 1.068 771 HG21 VAL 96 3HG2 VAL 96 26.584 1.394 0.501 772 HG22 VAL 96 1HG2 VAL 96 27.318 1.121 2.081 773 HG23 VAL 96 2HG2 VAL 96 25.581 1.392 1.951 774 H LYS 97 H LYS 97 28.980 4.714 3.464 775 HA LYS 97 HA LYS 97 27.919 7.405 3.086 776 HB2 LYS 97 2HB LYS 97 28.816 8.282 5.113 777 HB3 LYS 97 3HB LYS 97 27.854 6.876 5.546 778 HG2 LYS 97 2HG LYS 97 29.603 6.124 6.675 779 HG3 LYS 97 3HG LYS 97 30.427 5.890 5.131 780 HD2 LYS 97 2HD LYS 97 31.611 7.864 5.314 781 HD3 LYS 97 3HD LYS 97 30.429 8.593 6.404 782 HE2 LYS 97 2HE LYS 97 31.448 7.782 8.224 783 HE3 LYS 97 3HE LYS 97 31.681 6.194 7.494 784 HZ1 LYS 97 3HZ LYS 97 33.819 6.728 7.371 785 HZ2 LYS 97 1HZ LYS 97 33.531 8.348 7.764 786 HZ3 LYS 97 2HZ LYS 97 33.415 7.834 6.157 787 H GLY 98 H GLY 98 29.397 8.857 2.265 788 HA2 GLY 98 2HA GLY 98 31.679 9.564 1.886 789 HA3 GLY 98 3HA GLY 98 32.151 7.872 1.889 790 HA PRO 99 HA PRO 99 31.309 9.567 -2.478 791 HB2 PRO 99 2HB PRO 99 33.882 9.793 -3.313 792 HB3 PRO 99 3HB PRO 99 33.002 11.118 -2.541 793 HG2 PRO 99 2HG PRO 99 34.974 9.207 -1.350 794 HG3 PRO 99 3HG PRO 99 34.829 10.958 -1.112 795 HD2 PRO 99 2HD PRO 99 33.888 9.161 0.682 796 HD3 PRO 99 3HD PRO 99 33.114 10.736 0.411 797 H ASP 100 H ASP 100 30.551 7.322 -2.533 798 HA ASP 100 HA ASP 100 32.486 5.601 -3.918 799 HB2 ASP 100 2HB ASP 100 31.734 3.643 -2.735 800 HB3 ASP 100 3HB ASP 100 32.208 4.854 -1.547 801 H ILE 101 H ILE 101 30.701 7.231 -5.219 802 HA ILE 101 HA ILE 101 28.186 6.173 -5.785 803 HB ILE 101 HB ILE 101 30.057 7.827 -7.468 804 HG12 ILE 101 2HG1 ILE 101 29.053 8.870 -5.457 805 HG13 ILE 101 3HG1 ILE 101 28.505 9.627 -6.949 806 HG21 ILE 101 1HG2 ILE 101 28.872 6.971 -9.203 807 HG22 ILE 101 2HG2 ILE 101 27.489 6.548 -8.195 808 HG23 ILE 101 3HG2 ILE 101 27.730 8.219 -8.705 809 HD11 ILE 101 3HD1 ILE 101 26.985 7.704 -5.212 810 HD12 ILE 101 1HD1 ILE 101 26.639 9.410 -5.493 811 HD13 ILE 101 2HD1 ILE 101 26.441 8.243 -6.801 812 H ASP 102 H ASP 102 31.345 5.228 -6.899 813 HA ASP 102 HA ASP 102 30.375 3.605 -9.068 814 HB2 ASP 102 2HB ASP 102 32.719 2.831 -9.226 815 HB3 ASP 102 3HB ASP 102 32.599 4.588 -9.206 816 H LYS 103 H LYS 103 31.484 3.064 -5.759 817 HA LYS 103 HA LYS 103 31.259 0.209 -5.926 818 HB2 LYS 103 2HB LYS 103 32.693 1.717 -4.313 819 HB3 LYS 103 3HB LYS 103 31.242 1.681 -3.321 820 HG2 LYS 103 2HG LYS 103 31.327 -0.773 -3.313 821 HG3 LYS 103 3HG LYS 103 32.814 -0.709 -4.263 822 HD2 LYS 103 2HD LYS 103 33.569 0.884 -2.284 823 HD3 LYS 103 3HD LYS 103 32.346 -0.035 -1.404 824 HE2 LYS 103 2HE LYS 103 33.625 -1.871 -1.333 825 HE3 LYS 103 3HE LYS 103 34.109 -1.706 -3.020 826 HZ1 LYS 103 3HZ LYS 103 35.685 0.039 -2.286 827 HZ2 LYS 103 1HZ LYS 103 36.032 -1.491 -1.652 828 HZ3 LYS 103 2HZ LYS 103 35.296 -0.319 -0.680 829 H LEU 104 H LEU 104 29.080 2.782 -5.389 830 HA LEU 104 HA LEU 104 27.189 1.633 -3.694 831 HB2 LEU 104 2HB LEU 104 27.162 3.980 -4.383 832 HB3 LEU 104 3HB LEU 104 26.736 3.495 -6.023 833 HG LEU 104 HG LEU 104 24.729 2.369 -4.521 834 HD11 LEU 104 1HD1 LEU 104 23.916 4.280 -3.128 835 HD12 LEU 104 2HD1 LEU 104 25.511 5.011 -3.306 836 HD13 LEU 104 3HD1 LEU 104 25.339 3.456 -2.492 837 HD21 LEU 104 3HD2 LEU 104 24.299 5.132 -5.477 838 HD22 LEU 104 1HD2 LEU 104 23.395 3.656 -5.818 839 HD23 LEU 104 2HD2 LEU 104 24.914 3.974 -6.658 840 H ARG 105 H ARG 105 27.967 0.931 -6.981 841 HA ARG 105 HA ARG 105 25.491 -0.313 -7.676 842 HB2 ARG 105 2HB ARG 105 28.205 -0.745 -8.932 843 HB3 ARG 105 3HB ARG 105 26.639 -1.086 -9.656 844 HG2 ARG 105 2HG ARG 105 26.137 1.200 -9.900 845 HG3 ARG 105 3HG ARG 105 27.456 1.681 -8.831 846 HD2 ARG 105 2HD ARG 105 29.024 0.649 -10.532 847 HD3 ARG 105 3HD ARG 105 27.635 0.550 -11.613 848 HE ARG 105 HE ARG 105 27.796 3.171 -10.688 849 HH11 ARG 105 1HH1 ARG 105 29.659 0.964 -12.632 850 HH12 ARG 105 2HH1 ARG 105 30.371 2.212 -13.600 851 HH21 ARG 105 2HH2 ARG 105 29.840 4.407 -13.214 852 HH22 ARG 105 1HH2 ARG 105 28.726 4.823 -11.956 853 H GLU 106 H GLU 106 28.465 -1.362 -6.174 854 HA GLU 106 HA GLU 106 27.646 -4.162 -6.290 855 HB2 GLU 106 2HB GLU 106 29.841 -4.671 -5.401 856 HB3 GLU 106 3HB GLU 106 30.000 -3.572 -6.763 857 HG2 GLU 106 2HG GLU 106 30.550 -1.765 -5.398 858 HG3 GLU 106 3HG GLU 106 29.934 -2.557 -3.948 859 H THR 107 H THR 107 27.660 -1.475 -4.142 860 HA THR 107 HA THR 107 27.442 -3.036 -1.727 861 HB THR 107 HB THR 107 26.693 -0.133 -1.928 862 HG1 THR 107 HG1 THR 107 28.696 0.377 -2.368 863 HG21 THR 107 3HG2 THR 107 26.417 -0.601 0.261 864 HG22 THR 107 1HG2 THR 107 28.173 -0.467 0.325 865 HG23 THR 107 2HG2 THR 107 27.414 -2.053 0.181 866 H LEU 108 H LEU 108 25.275 -1.461 -3.983 867 HA LEU 108 HA LEU 108 22.955 -1.867 -2.300 868 HB2 LEU 108 2HB LEU 108 21.851 -0.498 -3.714 869 HB3 LEU 108 3HB LEU 108 23.492 -0.013 -4.135 870 HG LEU 108 HG LEU 108 23.185 -1.928 -5.951 871 HD11 LEU 108 1HD1 LEU 108 20.419 -1.166 -5.123 872 HD12 LEU 108 2HD1 LEU 108 21.067 -2.747 -5.559 873 HD13 LEU 108 3HD1 LEU 108 20.760 -1.545 -6.812 874 HD21 LEU 108 3HD2 LEU 108 23.584 -0.084 -7.124 875 HD22 LEU 108 1HD2 LEU 108 22.861 0.935 -5.878 876 HD23 LEU 108 2HD2 LEU 108 21.845 0.218 -7.129 877 H ASP 109 H ASP 109 24.636 -3.532 -4.808 878 HA ASP 109 HA ASP 109 22.455 -5.186 -5.645 879 HB2 ASP 109 2HB ASP 109 24.052 -5.114 -7.296 880 HB3 ASP 109 3HB ASP 109 25.390 -5.090 -6.151 881 H GLU 110 H GLU 110 25.308 -5.721 -3.583 882 HA GLU 110 HA GLU 110 24.832 -8.364 -2.896 883 HB2 GLU 110 2HB GLU 110 26.026 -6.198 -1.157 884 HB3 GLU 110 3HB GLU 110 26.190 -7.929 -0.891 885 HG2 GLU 110 2HG GLU 110 27.046 -6.847 -3.515 886 HG3 GLU 110 3HG GLU 110 28.052 -6.504 -2.109 887 H LEU 111 H LEU 111 23.185 -5.502 -1.900 888 HA LEU 111 HA LEU 111 21.861 -6.879 0.313 889 HB2 LEU 111 2HB LEU 111 22.464 -4.736 0.968 890 HB3 LEU 111 3HB LEU 111 22.033 -4.034 -0.590 891 HG LEU 111 HG LEU 111 19.823 -5.165 1.026 892 HD11 LEU 111 1HD1 LEU 111 21.643 -3.138 2.043 893 HD12 LEU 111 2HD1 LEU 111 20.365 -4.031 2.867 894 HD13 LEU 111 3HD1 LEU 111 19.973 -2.578 1.948 895 HD21 LEU 111 3HD2 LEU 111 19.059 -4.213 -0.922 896 HD22 LEU 111 1HD2 LEU 111 20.280 -2.940 -0.908 897 HD23 LEU 111 2HD2 LEU 111 18.909 -2.858 0.198 898 H LEU 112 H LEU 112 21.029 -5.139 -2.675 899 HA LEU 112 HA LEU 112 18.266 -5.611 -2.585 900 HB2 LEU 112 2HB LEU 112 19.534 -4.001 -4.071 901 HB3 LEU 112 3HB LEU 112 19.908 -5.385 -5.096 902 HG LEU 112 HG LEU 112 17.549 -5.703 -5.573 903 HD11 LEU 112 1HD1 LEU 112 16.305 -3.394 -4.675 904 HD12 LEU 112 2HD1 LEU 112 17.238 -3.958 -3.289 905 HD13 LEU 112 3HD1 LEU 112 16.069 -5.030 -4.059 906 HD21 LEU 112 3HD2 LEU 112 18.337 -4.345 -7.215 907 HD22 LEU 112 1HD2 LEU 112 18.882 -3.106 -6.085 908 HD23 LEU 112 2HD2 LEU 112 17.171 -3.235 -6.494 909 H ALA 113 H ALA 113 20.890 -7.693 -3.327 910 HA ALA 113 HA ALA 113 19.804 -9.526 -5.085 911 HB1 ALA 113 1HB ALA 113 22.018 -9.930 -4.633 912 HB2 ALA 113 2HB ALA 113 21.813 -9.728 -2.892 913 HB3 ALA 113 3HB ALA 113 21.250 -11.201 -3.681 914 H ARG 114 H ARG 114 19.142 -9.065 -1.686 915 HA ARG 114 HA ARG 114 17.961 -11.485 -1.028 916 HB2 ARG 114 2HB ARG 114 18.440 -9.574 0.531 917 HB3 ARG 114 3HB ARG 114 17.007 -8.774 -0.100 918 HG2 ARG 114 2HG ARG 114 16.058 -11.253 0.597 919 HG3 ARG 114 3HG ARG 114 17.248 -10.914 1.855 920 HD2 ARG 114 2HD ARG 114 15.921 -8.521 1.606 921 HD3 ARG 114 3HD ARG 114 14.638 -9.707 1.364 922 HE ARG 114 HE ARG 114 16.302 -10.245 3.646 923 HH11 ARG 114 1HH1 ARG 114 13.508 -8.530 2.476 924 HH12 ARG 114 2HH1 ARG 114 12.766 -8.411 4.036 925 HH21 ARG 114 2HH2 ARG 114 13.806 -9.300 5.873 926 HH22 ARG 114 1HH2 ARG 114 15.335 -10.095 5.706 927 H LEU 115 H LEU 115 16.534 -8.655 -2.606 928 HA LEU 115 HA LEU 115 13.943 -9.914 -2.816 929 HB2 LEU 115 2HB LEU 115 14.632 -7.359 -2.645 930 HB3 LEU 115 3HB LEU 115 14.649 -7.502 -4.402 931 HG LEU 115 HG LEU 115 12.527 -6.629 -3.731 932 HD11 LEU 115 1HD1 LEU 115 11.212 -7.982 -5.002 933 HD12 LEU 115 2HD1 LEU 115 11.779 -9.458 -4.221 934 HD13 LEU 115 3HD1 LEU 115 12.790 -8.651 -5.420 935 HD21 LEU 115 3HD2 LEU 115 11.976 -9.071 -2.084 936 HD22 LEU 115 1HD2 LEU 115 11.142 -7.517 -2.086 937 HD23 LEU 115 2HD2 LEU 115 12.752 -7.652 -1.381 938 H GLU 116 H GLU 116 16.366 -8.749 -5.163 939 HA GLU 116 HA GLU 116 15.109 -10.286 -7.278 940 HB2 GLU 116 2HB GLU 116 17.172 -8.170 -7.107 941 HB3 GLU 116 3HB GLU 116 17.357 -9.320 -8.423 942 HG2 GLU 116 2HG GLU 116 14.820 -7.800 -7.890 943 HG3 GLU 116 3HG GLU 116 16.084 -7.246 -8.986 Start of MODEL 18 1 H1 MET 1 H MET 1 2.806 1.412 -3.641 2 HA MET 1 HA MET 1 3.429 -0.475 -1.931 3 HB2 MET 1 2HB MET 1 2.801 1.751 -1.179 4 HB3 MET 1 3HB MET 1 1.106 1.413 -1.505 5 HG2 MET 1 2HG MET 1 1.003 -0.178 0.259 6 HG3 MET 1 3HG MET 1 2.749 -0.126 0.484 7 HE1 MET 1 3HE MET 1 -0.444 0.769 1.815 8 HE2 MET 1 1HE MET 1 -0.361 2.394 2.495 9 HE3 MET 1 2HE MET 1 -0.566 2.176 0.758 10 H ALA 2 H ALA 2 0.447 -0.458 -3.702 11 HA ALA 2 HA ALA 2 -0.252 -3.043 -2.472 12 HB1 ALA 2 1HB ALA 2 -2.663 -2.403 -2.945 13 HB2 ALA 2 2HB ALA 2 -1.867 -1.564 -1.612 14 HB3 ALA 2 3HB ALA 2 -2.073 -0.755 -3.166 15 H ARG 3 H ARG 3 -1.580 -1.148 -5.175 16 HA ARG 3 HA ARG 3 -1.936 -3.392 -6.837 17 HB2 ARG 3 2HB ARG 3 -2.099 -0.446 -7.165 18 HB3 ARG 3 3HB ARG 3 -1.920 -1.398 -8.632 19 HG2 ARG 3 2HG ARG 3 -3.890 -2.763 -7.365 20 HG3 ARG 3 3HG ARG 3 -4.215 -1.111 -6.836 21 HD2 ARG 3 2HD ARG 3 -4.654 -0.370 -8.967 22 HD3 ARG 3 3HD ARG 3 -3.663 -1.620 -9.719 23 HE ARG 3 HE ARG 3 -5.679 -3.043 -8.648 24 HH11 ARG 3 1HH1 ARG 3 -5.614 -0.201 -10.659 25 HH12 ARG 3 2HH1 ARG 3 -7.123 -0.555 -11.433 26 HH21 ARG 3 2HH2 ARG 3 -8.290 -2.442 -10.863 27 HH22 ARG 3 1HH2 ARG 3 -7.667 -3.520 -9.660 28 HA PRO 4 HA PRO 4 1.944 -4.052 -8.775 29 HB2 PRO 4 2HB PRO 4 1.239 -4.558 -11.347 30 HB3 PRO 4 3HB PRO 4 0.934 -5.693 -10.027 31 HG2 PRO 4 2HG PRO 4 -0.934 -3.742 -11.316 32 HG3 PRO 4 3HG PRO 4 -1.229 -5.424 -10.837 33 HD2 PRO 4 2HD PRO 4 -2.048 -3.318 -9.344 34 HD3 PRO 4 3HD PRO 4 -1.561 -4.867 -8.625 35 H SER 5 H SER 5 3.208 -2.266 -8.842 36 HA SER 5 HA SER 5 2.574 -0.010 -10.518 37 HB2 SER 5 2HB SER 5 3.968 -0.244 -8.204 38 HB3 SER 5 3HB SER 5 5.293 -0.219 -9.367 39 HG SER 5 HG SER 5 4.274 1.864 -8.458 40 H ASN 6 H ASN 6 4.670 -2.801 -10.659 41 HA ASN 6 HA ASN 6 6.010 -3.649 -12.290 42 HB2 ASN 6 2HB ASN 6 3.695 -2.799 -13.533 43 HB3 ASN 6 3HB ASN 6 4.958 -2.040 -14.497 44 HD21 ASN 6 2HD2 ASN 6 5.094 -4.973 -16.333 45 HD22 ASN 6 1HD2 ASN 6 4.747 -3.281 -16.290 46 H VAL 7 H VAL 7 7.316 -2.803 -14.417 47 HA VAL 7 HA VAL 7 9.386 -1.233 -13.472 48 HB VAL 7 HB VAL 7 9.584 -2.666 -15.455 49 HG11 VAL 7 1HG1 VAL 7 8.268 -0.554 -17.112 50 HG12 VAL 7 2HG1 VAL 7 8.566 -2.251 -17.491 51 HG13 VAL 7 3HG1 VAL 7 7.299 -1.811 -16.345 52 HG21 VAL 7 3HG2 VAL 7 11.363 -1.471 -16.057 53 HG22 VAL 7 1HG2 VAL 7 10.348 -0.217 -16.770 54 HG23 VAL 7 2HG2 VAL 7 10.746 -0.160 -15.053 55 H LYS 8 H LYS 8 9.794 0.894 -13.331 56 HA LYS 8 HA LYS 8 8.530 2.876 -14.921 57 HB2 LYS 8 2HB LYS 8 6.745 2.127 -13.185 58 HB3 LYS 8 3HB LYS 8 7.716 3.037 -12.035 59 HG2 LYS 8 2HG LYS 8 6.651 4.873 -12.651 60 HG3 LYS 8 3HG LYS 8 7.358 4.712 -14.260 61 HD2 LYS 8 2HD LYS 8 4.997 4.853 -14.537 62 HD3 LYS 8 3HD LYS 8 5.457 3.175 -14.834 63 HE2 LYS 8 2HE LYS 8 3.599 2.946 -13.475 64 HE3 LYS 8 3HE LYS 8 4.926 2.847 -12.318 65 HZ1 LYS 8 3HZ LYS 8 4.226 5.537 -12.611 66 HZ2 LYS 8 1HZ LYS 8 4.059 4.556 -11.243 67 HZ3 LYS 8 2HZ LYS 8 2.798 4.665 -12.364 68 HA PRO 9 HA PRO 9 12.536 3.968 -12.828 69 HB2 PRO 9 2HB PRO 9 13.811 4.678 -15.117 70 HB3 PRO 9 3HB PRO 9 13.772 3.017 -14.515 71 HG2 PRO 9 2HG PRO 9 12.101 4.301 -16.642 72 HG3 PRO 9 3HG PRO 9 12.867 2.702 -16.634 73 HD2 PRO 9 2HD PRO 9 10.237 3.060 -16.098 74 HD3 PRO 9 3HD PRO 9 11.197 1.769 -15.347 75 H SER 10 H SER 10 13.869 6.090 -13.428 76 HA SER 10 HA SER 10 13.891 8.363 -13.323 77 HB2 SER 10 2HB SER 10 11.593 8.127 -15.281 78 HB3 SER 10 3HB SER 10 12.571 9.567 -15.000 79 HG SER 10 HG SER 10 13.106 7.370 -16.523 80 HA PRO 11 HA PRO 11 10.371 8.328 -10.294 81 HB2 PRO 11 2HB PRO 11 11.901 8.994 -8.153 82 HB3 PRO 11 3HB PRO 11 11.667 7.324 -8.685 83 HG2 PRO 11 2HG PRO 11 13.966 9.172 -9.199 84 HG3 PRO 11 3HG PRO 11 13.988 7.453 -8.762 85 HD2 PRO 11 2HD PRO 11 14.343 8.315 -11.304 86 HD3 PRO 11 3HD PRO 11 13.557 6.770 -10.921 87 H HIS 12 H HIS 12 10.151 10.168 -8.455 88 HA HIS 12 HA HIS 12 10.908 12.743 -9.658 89 HB2 HIS 12 2HB HIS 12 8.300 11.671 -9.587 90 HB3 HIS 12 3HB HIS 12 8.343 12.939 -8.366 91 HD1 HIS 12 HD1 HIS 12 6.821 13.004 -11.191 92 HD2 HIS 12 HD2 HIS 12 10.378 14.921 -10.222 93 HE1 HIS 12 HE1 HIS 12 7.011 14.925 -12.804 94 H VAL 13 H VAL 13 11.629 14.242 -8.259 95 HA VAL 13 HA VAL 13 12.363 13.555 -5.652 96 HB VAL 13 HB VAL 13 12.799 15.988 -5.324 97 HG11 VAL 13 1HG1 VAL 13 14.532 14.628 -6.268 98 HG12 VAL 13 2HG1 VAL 13 13.796 14.718 -7.870 99 HG13 VAL 13 3HG1 VAL 13 14.498 16.162 -7.138 100 HG21 VAL 13 3HG2 VAL 13 12.360 17.576 -7.027 101 HG22 VAL 13 1HG2 VAL 13 11.865 16.322 -8.164 102 HG23 VAL 13 2HG2 VAL 13 10.852 16.697 -6.770 103 H ILE 14 H ILE 14 11.526 14.012 -3.644 104 HA ILE 14 HA ILE 14 8.689 14.226 -3.459 105 HB ILE 14 HB ILE 14 8.906 13.845 -1.178 106 HG12 ILE 14 2HG1 ILE 14 10.261 15.746 -0.569 107 HG13 ILE 14 3HG1 ILE 14 11.016 14.297 0.086 108 HG21 ILE 14 1HG2 ILE 14 10.026 11.893 -1.169 109 HG22 ILE 14 2HG2 ILE 14 10.246 12.238 -2.884 110 HG23 ILE 14 3HG2 ILE 14 11.526 12.629 -1.735 111 HD11 ILE 14 3HD1 ILE 14 12.690 15.765 -0.825 112 HD12 ILE 14 1HD1 ILE 14 12.591 14.300 -1.801 113 HD13 ILE 14 2HD1 ILE 14 11.860 15.798 -2.380 114 H LYS 15 H LYS 15 7.855 15.791 -1.612 115 HA LYS 15 HA LYS 15 9.064 18.405 -1.623 116 HB2 LYS 15 2HB LYS 15 7.275 19.585 -2.714 117 HB3 LYS 15 3HB LYS 15 7.852 18.329 -3.802 118 HG2 LYS 15 2HG LYS 15 5.960 16.927 -3.236 119 HG3 LYS 15 3HG LYS 15 5.398 18.124 -2.067 120 HD2 LYS 15 2HD LYS 15 4.288 19.184 -3.674 121 HD3 LYS 15 3HD LYS 15 5.793 19.430 -4.564 122 HE2 LYS 15 2HE LYS 15 4.447 16.774 -4.705 123 HE3 LYS 15 3HE LYS 15 3.779 18.117 -5.632 124 HZ1 LYS 15 3HZ LYS 15 5.285 17.640 -7.169 125 HZ2 LYS 15 1HZ LYS 15 6.084 16.540 -6.162 126 HZ3 LYS 15 2HZ LYS 15 6.484 18.182 -6.106 127 H SER 16 H SER 16 8.050 16.264 0.217 128 HA SER 16 HA SER 16 7.110 17.893 2.281 129 HB2 SER 16 2HB SER 16 5.043 16.963 0.468 130 HB3 SER 16 3HB SER 16 4.770 16.375 2.108 131 HG SER 16 HG SER 16 4.089 18.301 2.547 132 H LEU 17 H LEU 17 6.450 16.638 4.207 133 HA LEU 17 HA LEU 17 8.161 14.468 4.653 134 HB2 LEU 17 2HB LEU 17 6.769 16.118 6.244 135 HB3 LEU 17 3HB LEU 17 5.742 14.689 6.339 136 HG LEU 17 HG LEU 17 7.709 13.388 7.112 137 HD11 LEU 17 1HD1 LEU 17 9.782 14.240 7.324 138 HD12 LEU 17 2HD1 LEU 17 9.198 15.837 7.787 139 HD13 LEU 17 3HD1 LEU 17 9.221 15.366 6.088 140 HD21 LEU 17 3HD2 LEU 17 7.789 14.401 9.368 141 HD22 LEU 17 1HD2 LEU 17 6.150 14.249 8.736 142 HD23 LEU 17 2HD2 LEU 17 6.955 15.819 8.730 143 H GLU 18 H GLU 18 4.608 14.486 4.336 144 HA GLU 18 HA GLU 18 4.152 11.770 4.505 145 HB2 GLU 18 2HB GLU 18 2.643 14.027 3.870 146 HB3 GLU 18 3HB GLU 18 2.482 12.984 2.464 147 HG2 GLU 18 2HG GLU 18 1.943 11.135 4.177 148 HG3 GLU 18 3HG GLU 18 1.663 12.472 5.292 149 H GLU 19 H GLU 19 4.867 13.677 1.591 150 HA GLU 19 HA GLU 19 4.679 11.705 -0.323 151 HB2 GLU 19 2HB GLU 19 5.352 14.284 -0.418 152 HB3 GLU 19 3HB GLU 19 6.966 13.597 -0.537 153 HG2 GLU 19 2HG GLU 19 6.380 13.809 -2.743 154 HG3 GLU 19 3HG GLU 19 5.931 12.137 -2.412 155 H LEU 20 H LEU 20 7.314 12.359 1.913 156 HA LEU 20 HA LEU 20 9.186 10.578 0.745 157 HB2 LEU 20 2HB LEU 20 9.349 12.484 2.627 158 HB3 LEU 20 3HB LEU 20 9.293 11.057 3.660 159 HG LEU 20 HG LEU 20 11.241 10.189 2.231 160 HD11 LEU 20 1HD1 LEU 20 12.103 12.925 1.719 161 HD12 LEU 20 2HD1 LEU 20 10.719 12.431 0.744 162 HD13 LEU 20 3HD1 LEU 20 12.210 11.490 0.700 163 HD21 LEU 20 3HD2 LEU 20 11.349 11.032 4.588 164 HD22 LEU 20 1HD2 LEU 20 11.774 12.614 3.935 165 HD23 LEU 20 2HD2 LEU 20 12.836 11.233 3.660 166 H ARG 21 H ARG 21 7.410 10.233 3.823 167 HA ARG 21 HA ARG 21 7.967 7.560 4.263 168 HB2 ARG 21 2HB ARG 21 5.899 9.461 5.179 169 HB3 ARG 21 3HB ARG 21 5.488 7.759 5.344 170 HG2 ARG 21 2HG ARG 21 8.116 8.027 6.293 171 HG3 ARG 21 3HG ARG 21 7.198 9.375 6.967 172 HD2 ARG 21 2HD ARG 21 6.830 7.732 8.540 173 HD3 ARG 21 3HD ARG 21 5.425 7.542 7.493 174 HE ARG 21 HE ARG 21 6.177 5.458 6.958 175 HH11 ARG 21 1HH1 ARG 21 8.842 7.313 8.212 176 HH12 ARG 21 2HH1 ARG 21 9.946 5.978 8.204 177 HH21 ARG 21 2HH2 ARG 21 9.250 3.919 7.480 178 HH22 ARG 21 1HH2 ARG 21 7.621 3.692 6.942 179 H GLU 22 H GLU 22 5.671 9.012 2.090 180 HA GLU 22 HA GLU 22 4.168 6.608 1.632 181 HB2 GLU 22 2HB GLU 22 3.151 8.820 1.327 182 HB3 GLU 22 3HB GLU 22 4.294 9.175 0.039 183 HG2 GLU 22 2HG GLU 22 2.728 8.430 -1.346 184 HG3 GLU 22 3HG GLU 22 3.170 6.817 -0.790 185 H ALA 23 H ALA 23 6.915 8.204 0.161 186 HA ALA 23 HA ALA 23 6.946 6.532 -2.176 187 HB1 ALA 23 1HB ALA 23 8.365 8.854 -1.226 188 HB2 ALA 23 2HB ALA 23 9.481 7.656 -1.883 189 HB3 ALA 23 3HB ALA 23 8.154 8.262 -2.874 190 H THR 24 H THR 24 8.213 6.359 1.036 191 HA THR 24 HA THR 24 10.299 4.484 0.501 192 HB THR 24 HB THR 24 9.391 4.206 3.188 193 HG1 THR 24 HG1 THR 24 9.759 6.620 3.592 194 HG21 THR 24 3HG2 THR 24 11.553 5.307 3.683 195 HG22 THR 24 1HG2 THR 24 11.721 5.693 1.971 196 HG23 THR 24 2HG2 THR 24 11.705 4.010 2.498 197 H ALA 25 H ALA 25 6.946 4.219 0.561 198 HA ALA 25 HA ALA 25 6.952 1.415 1.383 199 HB1 ALA 25 1HB ALA 25 4.521 1.572 1.290 200 HB2 ALA 25 2HB ALA 25 5.200 2.862 2.284 201 HB3 ALA 25 3HB ALA 25 4.643 3.210 0.647 202 H SER 26 H SER 26 7.911 2.766 -1.276 203 HA SER 26 HA SER 26 6.280 1.759 -3.344 204 HB2 SER 26 2HB SER 26 9.171 2.599 -3.219 205 HB3 SER 26 3HB SER 26 8.463 1.961 -4.703 206 HG SER 26 HG SER 26 7.799 4.314 -3.293 207 H ASN 27 H ASN 27 6.818 0.020 -4.846 208 HA ASN 27 HA ASN 27 7.697 -2.352 -3.388 209 HB2 ASN 27 2HB ASN 27 6.593 -3.636 -5.081 210 HB3 ASN 27 3HB ASN 27 5.517 -2.309 -4.653 211 HD21 ASN 27 2HD2 ASN 27 6.115 -2.856 -8.408 212 HD22 ASN 27 1HD2 ASN 27 6.025 -4.015 -7.130 213 H ARG 28 H ARG 28 9.747 -0.579 -4.071 214 HA ARG 28 HA ARG 28 11.422 -2.335 -5.633 215 HB2 ARG 28 2HB ARG 28 10.132 -0.316 -7.008 216 HB3 ARG 28 3HB ARG 28 11.697 0.396 -6.639 217 HG2 ARG 28 2HG ARG 28 11.947 -0.612 -8.739 218 HG3 ARG 28 3HG ARG 28 12.723 -1.714 -7.600 219 HD2 ARG 28 2HD ARG 28 9.856 -2.182 -8.126 220 HD3 ARG 28 3HD ARG 28 10.955 -2.499 -9.468 221 HE ARG 28 HE ARG 28 10.632 -4.072 -7.117 222 HH11 ARG 28 1HH1 ARG 28 12.969 -3.035 -9.480 223 HH12 ARG 28 2HH1 ARG 28 13.984 -4.425 -9.277 224 HH21 ARG 28 2HH2 ARG 28 13.408 -6.058 -7.777 225 HH22 ARG 28 1HH2 ARG 28 11.960 -5.907 -6.842 226 H ILE 29 H ILE 29 13.594 -0.751 -6.043 227 HA ILE 29 HA ILE 29 14.357 -0.051 -3.294 228 HB ILE 29 HB ILE 29 16.221 -0.565 -5.607 229 HG12 ILE 29 2HG1 ILE 29 14.923 -2.582 -5.244 230 HG13 ILE 29 3HG1 ILE 29 16.547 -2.817 -4.607 231 HG21 ILE 29 1HG2 ILE 29 17.902 -0.848 -3.891 232 HG22 ILE 29 2HG2 ILE 29 17.120 0.721 -3.708 233 HG23 ILE 29 3HG2 ILE 29 16.692 -0.607 -2.630 234 HD11 ILE 29 3HD1 ILE 29 15.555 -3.547 -2.763 235 HD12 ILE 29 1HD1 ILE 29 15.146 -1.863 -2.440 236 HD13 ILE 29 2HD1 ILE 29 13.987 -2.911 -3.258 237 H SER 30 H SER 30 14.279 2.049 -2.865 238 HA SER 30 HA SER 30 14.942 3.959 -5.003 239 HB2 SER 30 2HB SER 30 13.384 4.425 -2.449 240 HB3 SER 30 3HB SER 30 13.676 5.619 -3.713 241 HG SER 30 HG SER 30 12.440 3.165 -4.323 242 H VAL 31 H VAL 31 16.387 5.636 -4.622 243 HA VAL 31 HA VAL 31 18.246 5.149 -2.408 244 HB VAL 31 HB VAL 31 18.763 7.053 -4.671 245 HG11 VAL 31 1HG1 VAL 31 20.499 7.297 -3.219 246 HG12 VAL 31 2HG1 VAL 31 20.344 5.658 -2.584 247 HG13 VAL 31 3HG1 VAL 31 21.112 5.930 -4.149 248 HG21 VAL 31 3HG2 VAL 31 18.150 5.093 -5.847 249 HG22 VAL 31 1HG2 VAL 31 19.913 5.102 -5.799 250 HG23 VAL 31 2HG2 VAL 31 19.007 4.054 -4.709 251 H ILE 32 H ILE 32 17.978 6.342 -0.648 252 HA ILE 32 HA ILE 32 16.693 8.958 -0.843 253 HB ILE 32 HB ILE 32 17.503 7.483 1.661 254 HG12 ILE 32 2HG1 ILE 32 14.708 7.402 1.339 255 HG13 ILE 32 3HG1 ILE 32 15.382 6.929 -0.217 256 HG21 ILE 32 1HG2 ILE 32 17.123 9.905 1.891 257 HG22 ILE 32 2HG2 ILE 32 15.503 9.697 1.227 258 HG23 ILE 32 3HG2 ILE 32 15.927 8.952 2.768 259 HD11 ILE 32 3HD1 ILE 32 16.492 5.676 2.232 260 HD12 ILE 32 1HD1 ILE 32 14.899 5.169 1.672 261 HD13 ILE 32 2HD1 ILE 32 16.298 5.016 0.608 262 H VAL 33 H VAL 33 18.199 10.405 -1.526 263 HA VAL 33 HA VAL 33 20.699 10.592 0.021 264 HB VAL 33 HB VAL 33 20.163 11.819 -2.683 265 HG11 VAL 33 1HG1 VAL 33 21.911 12.978 -1.592 266 HG12 VAL 33 2HG1 VAL 33 22.630 11.481 -0.995 267 HG13 VAL 33 3HG1 VAL 33 22.691 11.865 -2.716 268 HG21 VAL 33 3HG2 VAL 33 20.035 9.418 -2.914 269 HG22 VAL 33 1HG2 VAL 33 21.562 9.989 -3.586 270 HG23 VAL 33 2HG2 VAL 33 21.531 9.218 -2.001 271 H PHE 34 H PHE 34 20.903 12.242 1.374 272 HA PHE 34 HA PHE 34 18.950 14.396 1.308 273 HB2 PHE 34 2HB PHE 34 21.104 14.376 3.350 274 HB3 PHE 34 3HB PHE 34 19.384 14.708 3.530 275 HD1 PHE 34 HD1 PHE 34 17.900 12.508 2.911 276 HD2 PHE 34 HD2 PHE 34 21.865 12.532 4.459 277 HE1 PHE 34 HE1 PHE 34 17.557 10.244 3.813 278 HE2 PHE 34 HE2 PHE 34 21.529 10.268 5.362 279 HZ PHE 34 HZ PHE 34 19.374 9.121 5.039 280 H THR 35 H THR 35 19.351 16.165 0.173 281 HA THR 35 HA THR 35 21.956 17.440 0.345 282 HB THR 35 HB THR 35 21.356 17.689 -2.377 283 HG1 THR 35 HG1 THR 35 20.061 15.686 -1.883 284 HG21 THR 35 3HG2 THR 35 23.375 15.782 -1.216 285 HG22 THR 35 1HG2 THR 35 23.578 17.532 -1.154 286 HG23 THR 35 2HG2 THR 35 23.485 16.710 -2.711 287 H HIS 36 H HIS 36 21.811 19.615 0.322 288 HA HIS 36 HA HIS 36 19.150 20.767 -0.147 289 HB2 HIS 36 2HB HIS 36 20.120 22.739 1.137 290 HB3 HIS 36 3HB HIS 36 19.877 21.256 2.056 291 HD1 HIS 36 HD1 HIS 36 21.734 21.022 3.659 292 HD2 HIS 36 HD2 HIS 36 23.041 22.490 -0.001 293 HE1 HIS 36 HE1 HIS 36 24.228 21.252 3.880 294 HA PRO 37 HA PRO 37 20.456 23.001 -3.691 295 HB2 PRO 37 2HB PRO 37 18.996 25.277 -3.450 296 HB3 PRO 37 3HB PRO 37 18.283 23.720 -3.892 297 HG2 PRO 37 2HG PRO 37 18.351 25.085 -1.228 298 HG3 PRO 37 3HG PRO 37 17.011 24.231 -2.014 299 HD2 PRO 37 2HD PRO 37 18.526 23.097 -0.077 300 HD3 PRO 37 3HD PRO 37 17.808 22.157 -1.401 301 H ASP 38 H ASP 38 21.173 24.056 -0.564 302 HA ASP 38 HA ASP 38 22.698 26.377 -1.503 303 HB2 ASP 38 2HB ASP 38 21.342 26.881 0.402 304 HB3 ASP 38 3HB ASP 38 21.908 25.451 1.260 305 H SER 39 H SER 39 24.225 24.924 -2.586 306 HA SER 39 HA SER 39 26.522 24.460 -0.951 307 HB2 SER 39 2HB SER 39 24.848 22.365 -0.835 308 HB3 SER 39 3HB SER 39 25.707 21.949 -2.319 309 HG SER 39 HG SER 39 27.080 22.681 0.039 310 H LYS 40 H LYS 40 27.551 25.809 -2.403 311 HA LYS 40 HA LYS 40 27.527 25.253 -5.231 312 HB2 LYS 40 2HB LYS 40 29.121 27.132 -5.377 313 HB3 LYS 40 3HB LYS 40 27.670 27.558 -4.479 314 HG2 LYS 40 2HG LYS 40 29.235 26.768 -2.450 315 HG3 LYS 40 3HG LYS 40 30.467 27.345 -3.576 316 HD2 LYS 40 2HD LYS 40 29.095 29.460 -3.787 317 HD3 LYS 40 3HD LYS 40 28.146 28.876 -2.419 318 HE2 LYS 40 2HE LYS 40 30.198 28.767 -1.068 319 HE3 LYS 40 3HE LYS 40 31.119 29.393 -2.435 320 HZ1 LYS 40 3HZ LYS 40 28.844 30.858 -1.227 321 HZ2 LYS 40 1HZ LYS 40 30.004 31.451 -2.306 322 HZ3 LYS 40 2HZ LYS 40 30.444 31.068 -0.718 323 H ARG 41 H ARG 41 29.821 24.915 -2.558 324 HA ARG 41 HA ARG 41 31.942 23.919 -4.185 325 HB2 ARG 41 2HB ARG 41 31.457 24.377 -1.321 326 HB3 ARG 41 3HB ARG 41 32.520 23.020 -1.668 327 HG2 ARG 41 2HG ARG 41 34.160 24.347 -2.549 328 HG3 ARG 41 3HG ARG 41 33.027 25.607 -3.043 329 HD2 ARG 41 2HD ARG 41 32.668 25.968 -0.518 330 HD3 ARG 41 3HD ARG 41 34.160 25.049 -0.324 331 HE ARG 41 HE ARG 41 34.772 26.984 -2.154 332 HH11 ARG 41 1HH1 ARG 41 33.500 26.960 1.087 333 HH12 ARG 41 2HH1 ARG 41 34.190 28.492 1.509 334 HH21 ARG 41 2HH2 ARG 41 35.432 29.654 -0.027 335 HH22 ARG 41 1HH2 ARG 41 35.685 29.002 -1.611 336 H SER 42 H SER 42 29.152 22.523 -2.731 337 HA SER 42 HA SER 42 30.195 19.813 -3.205 338 HB2 SER 42 2HB SER 42 29.052 20.727 -0.942 339 HB3 SER 42 3HB SER 42 27.609 20.175 -1.793 340 HG SER 42 HG SER 42 29.910 18.554 -1.522 341 H LYS 43 H LYS 43 27.895 18.391 -3.460 342 HA LYS 43 HA LYS 43 26.309 17.722 -4.948 343 HB2 LYS 43 2HB LYS 43 25.745 20.412 -4.442 344 HB3 LYS 43 3HB LYS 43 25.699 20.268 -6.194 345 HG2 LYS 43 2HG LYS 43 23.886 18.883 -6.175 346 HG3 LYS 43 3HG LYS 43 24.262 18.231 -4.578 347 HD2 LYS 43 2HD LYS 43 22.271 19.629 -4.488 348 HD3 LYS 43 3HD LYS 43 23.584 20.358 -3.560 349 HE2 LYS 43 2HE LYS 43 23.598 21.221 -6.327 350 HE3 LYS 43 3HE LYS 43 22.064 21.579 -5.536 351 HZ1 LYS 43 3HZ LYS 43 23.885 23.314 -5.373 352 HZ2 LYS 43 1HZ LYS 43 24.656 22.268 -4.289 353 HZ3 LYS 43 2HZ LYS 43 23.120 22.879 -3.928 354 H GLU 44 H GLU 44 29.214 18.525 -5.715 355 HA GLU 44 HA GLU 44 28.987 18.960 -8.565 356 HB2 GLU 44 2HB GLU 44 31.447 18.313 -6.933 357 HB3 GLU 44 3HB GLU 44 31.413 18.944 -8.574 358 HG2 GLU 44 2HG GLU 44 29.920 20.648 -6.802 359 HG3 GLU 44 3HG GLU 44 31.557 20.393 -6.199 360 H ILE 45 H ILE 45 29.973 16.332 -6.401 361 HA ILE 45 HA ILE 45 30.638 14.496 -8.452 362 HB ILE 45 HB ILE 45 30.482 12.766 -6.691 363 HG12 ILE 45 2HG1 ILE 45 30.168 13.892 -4.311 364 HG13 ILE 45 3HG1 ILE 45 29.184 15.025 -5.232 365 HG21 ILE 45 1HG2 ILE 45 31.948 14.688 -5.141 366 HG22 ILE 45 2HG2 ILE 45 32.546 13.349 -6.120 367 HG23 ILE 45 3HG2 ILE 45 32.257 14.923 -6.862 368 HD11 ILE 45 3HD1 ILE 45 28.157 12.877 -4.111 369 HD12 ILE 45 1HD1 ILE 45 27.568 13.486 -5.658 370 HD13 ILE 45 2HD1 ILE 45 28.692 12.128 -5.615 371 H LYS 46 H LYS 46 27.667 15.692 -7.408 372 HA LYS 46 HA LYS 46 25.885 13.625 -7.467 373 HB2 LYS 46 2HB LYS 46 25.650 16.414 -8.583 374 HB3 LYS 46 3HB LYS 46 24.292 15.296 -8.568 375 HG2 LYS 46 2HG LYS 46 25.817 16.087 -6.100 376 HG3 LYS 46 3HG LYS 46 24.365 16.917 -6.666 377 HD2 LYS 46 2HD LYS 46 22.992 15.157 -6.143 378 HD3 LYS 46 3HD LYS 46 24.271 13.958 -6.347 379 HE2 LYS 46 2HE LYS 46 24.925 15.751 -4.201 380 HE3 LYS 46 3HE LYS 46 23.317 15.072 -3.951 381 HZ1 LYS 46 3HZ LYS 46 25.138 13.069 -4.801 382 HZ2 LYS 46 1HZ LYS 46 24.201 13.134 -3.393 383 HZ3 LYS 46 2HZ LYS 46 25.730 13.855 -3.425 384 H GLU 47 H GLU 47 27.329 15.263 -10.256 385 HA GLU 47 HA GLU 47 25.912 14.145 -12.323 386 HB2 GLU 47 2HB GLU 47 27.738 15.847 -12.524 387 HB3 GLU 47 3HB GLU 47 28.906 14.550 -12.319 388 HG2 GLU 47 2HG GLU 47 27.009 13.928 -14.402 389 HG3 GLU 47 3HG GLU 47 27.816 15.467 -14.700 390 H LYS 48 H LYS 48 28.624 12.729 -10.545 391 HA LYS 48 HA LYS 48 29.061 10.453 -12.052 392 HB2 LYS 48 2HB LYS 48 29.141 10.603 -9.034 393 HB3 LYS 48 3HB LYS 48 30.004 9.458 -10.052 394 HG2 LYS 48 2HG LYS 48 30.640 12.140 -10.842 395 HG3 LYS 48 3HG LYS 48 30.905 11.933 -9.109 396 HD2 LYS 48 2HD LYS 48 32.932 11.238 -9.926 397 HD3 LYS 48 3HD LYS 48 32.063 9.702 -9.883 398 HE2 LYS 48 2HE LYS 48 31.380 10.555 -12.340 399 HE3 LYS 48 3HE LYS 48 32.961 11.319 -12.186 400 HZ1 LYS 48 3HZ LYS 48 33.851 9.098 -11.582 401 HZ2 LYS 48 1HZ LYS 48 33.255 9.186 -13.163 402 HZ3 LYS 48 2HZ LYS 48 32.344 8.426 -11.957 403 H LEU 49 H LEU 49 26.701 10.958 -9.452 404 HA LEU 49 HA LEU 49 25.656 8.309 -9.572 405 HB2 LEU 49 2HB LEU 49 25.525 9.864 -7.606 406 HB3 LEU 49 3HB LEU 49 24.298 10.769 -8.490 407 HG LEU 49 HG LEU 49 22.914 8.674 -8.526 408 HD11 LEU 49 1HD1 LEU 49 24.459 6.948 -8.174 409 HD12 LEU 49 2HD1 LEU 49 23.540 7.043 -6.672 410 HD13 LEU 49 3HD1 LEU 49 25.157 7.741 -6.761 411 HD21 LEU 49 3HD2 LEU 49 22.518 8.821 -5.941 412 HD22 LEU 49 1HD2 LEU 49 22.143 10.193 -6.985 413 HD23 LEU 49 2HD2 LEU 49 23.642 10.177 -6.055 414 H LYS 50 H LYS 50 24.906 11.333 -11.157 415 HA LYS 50 HA LYS 50 22.361 10.641 -12.160 416 HB2 LYS 50 2HB LYS 50 24.326 12.765 -12.572 417 HB3 LYS 50 3HB LYS 50 23.435 12.365 -14.035 418 HG2 LYS 50 2HG LYS 50 22.355 14.168 -12.825 419 HG3 LYS 50 3HG LYS 50 21.328 12.733 -12.860 420 HD2 LYS 50 2HD LYS 50 21.874 12.196 -10.600 421 HD3 LYS 50 3HD LYS 50 23.139 13.426 -10.553 422 HE2 LYS 50 2HE LYS 50 20.593 14.567 -11.302 423 HE3 LYS 50 3HE LYS 50 20.478 13.710 -9.767 424 HZ1 LYS 50 3HZ LYS 50 21.770 15.208 -8.737 425 HZ2 LYS 50 1HZ LYS 50 21.323 16.229 -10.010 426 HZ3 LYS 50 2HZ LYS 50 22.803 15.412 -10.061 427 H LYS 51 H LYS 51 25.619 10.316 -13.516 428 HA LYS 51 HA LYS 51 24.812 9.286 -16.021 429 HB2 LYS 51 2HB LYS 51 27.360 9.414 -14.486 430 HB3 LYS 51 3HB LYS 51 27.269 8.267 -15.816 431 HG2 LYS 51 2HG LYS 51 26.519 10.193 -17.264 432 HG3 LYS 51 3HG LYS 51 26.963 11.253 -15.924 433 HD2 LYS 51 2HD LYS 51 29.225 10.749 -16.112 434 HD3 LYS 51 3HD LYS 51 28.917 9.245 -16.983 435 HE2 LYS 51 2HE LYS 51 27.886 11.550 -18.404 436 HE3 LYS 51 3HE LYS 51 29.613 11.697 -18.085 437 HZ1 LYS 51 3HZ LYS 51 28.513 9.198 -19.193 438 HZ2 LYS 51 1HZ LYS 51 30.086 9.812 -19.306 439 HZ3 LYS 51 2HZ LYS 51 28.839 10.509 -20.211 440 H LEU 52 H LEU 52 25.430 7.801 -12.909 441 HA LEU 52 HA LEU 52 25.698 5.140 -13.625 442 HB2 LEU 52 2HB LEU 52 26.026 5.881 -11.360 443 HB3 LEU 52 3HB LEU 52 24.335 6.357 -11.230 444 HG LEU 52 HG LEU 52 24.779 3.517 -11.851 445 HD11 LEU 52 1HD1 LEU 52 25.657 4.706 -9.227 446 HD12 LEU 52 2HD1 LEU 52 26.629 3.765 -10.358 447 HD13 LEU 52 3HD1 LEU 52 25.310 2.995 -9.475 448 HD21 LEU 52 3HD2 LEU 52 22.571 4.456 -11.400 449 HD22 LEU 52 1HD2 LEU 52 23.112 4.979 -9.805 450 HD23 LEU 52 2HD2 LEU 52 23.014 3.258 -10.182 451 H ALA 53 H ALA 53 22.891 7.167 -13.689 452 HA ALA 53 HA ALA 53 20.813 5.353 -13.552 453 HB1 ALA 53 1HB ALA 53 20.903 7.974 -13.946 454 HB2 ALA 53 2HB ALA 53 20.625 7.476 -15.615 455 HB3 ALA 53 3HB ALA 53 19.481 7.014 -14.355 456 H GLU 54 H GLU 54 23.125 5.856 -16.101 457 HA GLU 54 HA GLU 54 21.647 4.458 -18.119 458 HB2 GLU 54 2HB GLU 54 23.303 6.129 -18.747 459 HB3 GLU 54 3HB GLU 54 24.572 5.204 -17.957 460 HG2 GLU 54 2HG GLU 54 23.083 3.704 -19.976 461 HG3 GLU 54 3HG GLU 54 23.962 5.097 -20.605 462 H GLU 55 H GLU 55 24.083 3.618 -15.737 463 HA GLU 55 HA GLU 55 24.749 1.070 -16.740 464 HB2 GLU 55 2HB GLU 55 26.270 1.728 -15.161 465 HB3 GLU 55 3HB GLU 55 25.052 2.488 -14.147 466 HG2 GLU 55 2HG GLU 55 26.077 0.525 -13.094 467 HG3 GLU 55 3HG GLU 55 24.337 0.347 -13.316 468 H PHE 56 H PHE 56 22.278 2.145 -14.448 469 HA PHE 56 HA PHE 56 20.663 -0.161 -15.036 470 HB2 PHE 56 2HB PHE 56 22.349 -0.862 -13.218 471 HB3 PHE 56 3HB PHE 56 21.432 0.192 -12.147 472 HD1 PHE 56 HD1 PHE 56 20.310 -2.137 -14.827 473 HD2 PHE 56 HD2 PHE 56 20.282 -1.167 -10.683 474 HE1 PHE 56 HE1 PHE 56 18.708 -3.958 -14.415 475 HE2 PHE 56 HE2 PHE 56 18.680 -2.987 -10.264 476 HZ PHE 56 HZ PHE 56 17.892 -4.386 -12.131 477 HA PRO 57 HA PRO 57 18.346 3.706 -14.033 478 HB2 PRO 57 2HB PRO 57 16.618 3.468 -16.113 479 HB3 PRO 57 3HB PRO 57 18.202 4.236 -16.264 480 HG2 PRO 57 2HG PRO 57 17.366 1.459 -17.004 481 HG3 PRO 57 3HG PRO 57 18.390 2.595 -17.901 482 HD2 PRO 57 2HD PRO 57 19.410 0.560 -16.435 483 HD3 PRO 57 3HD PRO 57 20.254 2.109 -16.636 484 H ASP 58 H ASP 58 17.702 0.388 -14.166 485 HA ASP 58 HA ASP 58 14.933 0.266 -13.802 486 HB2 ASP 58 2HB ASP 58 15.715 -1.846 -14.117 487 HB3 ASP 58 3HB ASP 58 17.230 -1.521 -13.278 488 H VAL 59 H VAL 59 17.425 1.331 -11.692 489 HA VAL 59 HA VAL 59 15.826 1.024 -9.286 490 HB VAL 59 HB VAL 59 18.457 2.474 -9.565 491 HG11 VAL 59 1HG1 VAL 59 16.991 1.293 -7.211 492 HG12 VAL 59 2HG1 VAL 59 18.648 1.896 -7.151 493 HG13 VAL 59 3HG1 VAL 59 17.321 2.998 -7.518 494 HG21 VAL 59 3HG2 VAL 59 18.967 0.326 -10.339 495 HG22 VAL 59 1HG2 VAL 59 19.371 0.272 -8.623 496 HG23 VAL 59 2HG2 VAL 59 17.866 -0.446 -9.198 497 H ASP 60 H ASP 60 15.123 2.764 -7.987 498 HA ASP 60 HA ASP 60 14.488 5.167 -9.534 499 HB2 ASP 60 2HB ASP 60 13.323 4.943 -6.853 500 HB3 ASP 60 3HB ASP 60 12.541 5.253 -8.400 501 H ILE 61 H ILE 61 16.157 6.565 -9.392 502 HA ILE 61 HA ILE 61 17.359 7.080 -6.771 503 HB ILE 61 HB ILE 61 18.284 8.303 -9.354 504 HG12 ILE 61 2HG1 ILE 61 19.984 6.186 -8.924 505 HG13 ILE 61 3HG1 ILE 61 18.418 5.491 -8.521 506 HG21 ILE 61 1HG2 ILE 61 19.062 8.642 -6.739 507 HG22 ILE 61 2HG2 ILE 61 20.243 7.489 -7.359 508 HG23 ILE 61 3HG2 ILE 61 20.023 9.043 -8.163 509 HD11 ILE 61 3HD1 ILE 61 19.394 5.458 -10.976 510 HD12 ILE 61 1HD1 ILE 61 17.666 5.609 -10.656 511 HD13 ILE 61 2HD1 ILE 61 18.622 7.043 -11.034 512 H TYR 62 H TYR 62 16.472 8.644 -5.604 513 HA TYR 62 HA TYR 62 15.659 11.121 -6.959 514 HB2 TYR 62 2HB TYR 62 13.629 11.270 -5.777 515 HB3 TYR 62 3HB TYR 62 13.705 9.592 -6.304 516 HD1 TYR 62 HD1 TYR 62 14.897 7.978 -4.535 517 HD2 TYR 62 HD2 TYR 62 13.002 11.670 -3.596 518 HE1 TYR 62 HE1 TYR 62 14.603 7.230 -2.210 519 HE2 TYR 62 HE2 TYR 62 12.705 10.933 -1.269 520 HH TYR 62 HH TYR 62 12.899 9.239 0.165 521 H LEU 63 H LEU 63 15.933 13.021 -5.778 522 HA LEU 63 HA LEU 63 17.726 12.751 -3.468 523 HB2 LEU 63 2HB LEU 63 17.493 14.646 -5.700 524 HB3 LEU 63 3HB LEU 63 17.820 15.384 -4.133 525 HG LEU 63 HG LEU 63 19.735 13.592 -4.037 526 HD11 LEU 63 1HD1 LEU 63 19.059 13.758 -6.956 527 HD12 LEU 63 2HD1 LEU 63 19.325 12.325 -5.964 528 HD13 LEU 63 3HD1 LEU 63 20.683 13.365 -6.392 529 HD21 LEU 63 3HD2 LEU 63 20.083 15.926 -5.897 530 HD22 LEU 63 1HD2 LEU 63 21.250 15.232 -4.770 531 HD23 LEU 63 2HD2 LEU 63 19.859 16.129 -4.159 532 H VAL 64 H VAL 64 17.431 14.054 -1.614 533 HA VAL 64 HA VAL 64 14.756 15.253 -1.333 534 HB VAL 64 HB VAL 64 16.141 13.551 0.745 535 HG11 VAL 64 1HG1 VAL 64 14.850 15.400 1.707 536 HG12 VAL 64 2HG1 VAL 64 13.429 14.872 0.803 537 HG13 VAL 64 3HG1 VAL 64 14.113 13.838 2.057 538 HG21 VAL 64 3HG2 VAL 64 14.517 11.882 0.338 539 HG22 VAL 64 1HG2 VAL 64 13.562 12.956 -0.684 540 HG23 VAL 64 2HG2 VAL 64 15.124 12.361 -1.247 541 H ASP 65 H ASP 65 14.651 17.146 -0.227 542 HA ASP 65 HA ASP 65 17.199 18.385 0.474 543 HB2 ASP 65 2HB ASP 65 15.701 20.459 0.702 544 HB3 ASP 65 3HB ASP 65 15.921 19.792 -0.914 545 H THR 66 H THR 66 16.963 20.022 2.390 546 HA THR 66 HA THR 66 16.343 18.421 4.715 547 HB THR 66 HB THR 66 17.129 20.649 5.876 548 HG1 THR 66 HG1 THR 66 18.389 20.936 3.346 549 HG21 THR 66 3HG2 THR 66 19.396 19.874 5.798 550 HG22 THR 66 1HG2 THR 66 19.107 19.018 4.284 551 HG23 THR 66 2HG2 THR 66 18.342 18.461 5.772 552 H SER 67 H SER 67 15.046 21.225 3.065 553 HA SER 67 HA SER 67 13.322 22.112 5.121 554 HB2 SER 67 2HB SER 67 13.974 22.926 2.507 555 HB3 SER 67 3HB SER 67 12.234 22.636 2.497 556 HG SER 67 HG SER 67 12.633 24.749 3.150 557 H THR 68 H THR 68 13.134 19.516 2.853 558 HA THR 68 HA THR 68 10.278 19.177 3.051 559 HB THR 68 HB THR 68 10.946 16.863 1.992 560 HG1 THR 68 HG1 THR 68 13.078 16.739 1.964 561 HG21 THR 68 3HG2 THR 68 9.823 18.136 0.488 562 HG22 THR 68 1HG2 THR 68 11.427 18.319 -0.219 563 HG23 THR 68 2HG2 THR 68 10.778 19.578 0.833 564 H ASN 69 H ASN 69 13.008 18.250 4.886 565 HA ASN 69 HA ASN 69 11.373 16.930 6.827 566 HB2 ASN 69 2HB ASN 69 12.564 14.761 6.771 567 HB3 ASN 69 3HB ASN 69 11.648 15.056 5.297 568 HD21 ASN 69 2HD2 ASN 69 14.799 13.757 4.122 569 HD22 ASN 69 1HD2 ASN 69 13.354 13.220 4.903 570 HA PRO 70 HA PRO 70 15.244 19.050 8.313 571 HB2 PRO 70 2HB PRO 70 13.974 20.645 10.106 572 HB3 PRO 70 3HB PRO 70 14.202 21.095 8.411 573 HG2 PRO 70 2HG PRO 70 11.787 19.946 9.758 574 HG3 PRO 70 3HG PRO 70 11.887 21.255 8.566 575 HD2 PRO 70 2HD PRO 70 11.179 18.728 7.899 576 HD3 PRO 70 3HD PRO 70 12.066 19.795 6.791 577 H GLU 71 H GLU 71 12.522 17.484 9.840 578 HA GLU 71 HA GLU 71 13.895 17.140 12.367 579 HB2 GLU 71 2HB GLU 71 11.199 16.422 11.293 580 HB3 GLU 71 3HB GLU 71 11.804 15.570 12.707 581 HG2 GLU 71 2HG GLU 71 12.083 17.699 13.872 582 HG3 GLU 71 3HG GLU 71 11.470 18.551 12.456 583 H ALA 72 H ALA 72 13.219 15.291 9.474 584 HA ALA 72 HA ALA 72 13.715 12.709 10.306 585 HB1 ALA 72 1HB ALA 72 12.950 13.220 8.067 586 HB2 ALA 72 2HB ALA 72 14.493 13.989 7.689 587 HB3 ALA 72 3HB ALA 72 14.424 12.253 7.993 588 H ARG 73 H ARG 73 16.056 15.199 9.362 589 HA ARG 73 HA ARG 73 18.365 13.624 9.481 590 HB2 ARG 73 2HB ARG 73 17.722 16.414 9.229 591 HB3 ARG 73 3HB ARG 73 19.056 16.218 10.358 592 HG2 ARG 73 2HG ARG 73 19.765 14.553 8.298 593 HG3 ARG 73 3HG ARG 73 18.989 15.903 7.467 594 HD2 ARG 73 2HD ARG 73 21.331 15.991 9.355 595 HD3 ARG 73 3HD ARG 73 21.303 16.422 7.646 596 HE ARG 73 HE ARG 73 19.528 18.142 8.712 597 HH11 ARG 73 1HH1 ARG 73 22.786 17.277 9.583 598 HH12 ARG 73 2HH1 ARG 73 23.162 18.835 10.242 599 HH21 ARG 73 2HH2 ARG 73 21.583 20.494 10.240 600 HH22 ARG 73 1HH2 ARG 73 20.011 20.197 9.578 601 H GLU 74 H GLU 74 17.173 15.910 11.953 602 HA GLU 74 HA GLU 74 18.962 15.184 13.960 603 HB2 GLU 74 2HB GLU 74 17.486 17.196 13.982 604 HB3 GLU 74 3HB GLU 74 16.124 16.148 14.350 605 HG2 GLU 74 2HG GLU 74 16.929 15.645 16.479 606 HG3 GLU 74 3HG GLU 74 18.557 16.200 16.093 607 H TRP 75 H TRP 75 16.125 13.586 12.805 608 HA TRP 75 HA TRP 75 15.323 12.079 14.973 609 HB2 TRP 75 2HB TRP 75 14.380 12.182 12.559 610 HB3 TRP 75 3HB TRP 75 15.502 10.864 12.229 611 HD1 TRP 75 HD1 TRP 75 12.601 11.639 14.690 612 HE1 TRP 75 HE1 TRP 75 11.374 9.431 15.184 613 HE3 TRP 75 HE3 TRP 75 15.582 8.444 12.038 614 HZ2 TRP 75 HZ2 TRP 75 11.635 6.696 14.535 615 HZ3 TRP 75 HZ3 TRP 75 15.025 6.047 12.026 616 HH2 TRP 75 HH2 TRP 75 13.092 5.193 13.249 617 H TYR 76 H TYR 76 18.013 11.507 12.759 618 HA TYR 76 HA TYR 76 18.999 9.450 14.619 619 HB2 TYR 76 2HB TYR 76 18.097 8.505 12.456 620 HB3 TYR 76 3HB TYR 76 19.390 9.363 11.625 621 HD1 TYR 76 HD1 TYR 76 21.366 8.237 11.218 622 HD2 TYR 76 HD2 TYR 76 18.907 6.960 14.447 623 HE1 TYR 76 HE1 TYR 76 22.885 6.345 11.619 624 HE2 TYR 76 HE2 TYR 76 20.420 5.066 14.857 625 HH TYR 76 HH TYR 76 22.906 4.561 14.397 626 H ASN 77 H ASN 77 19.509 12.438 13.889 627 HA ASN 77 HA ASN 77 21.278 13.869 13.749 628 HB2 ASN 77 2HB ASN 77 21.841 13.083 15.916 629 HB3 ASN 77 3HB ASN 77 22.457 11.558 15.286 630 HD21 ASN 77 2HD2 ASN 77 24.741 14.900 14.659 631 HD22 ASN 77 1HD2 ASN 77 23.020 14.980 14.529 632 H ILE 78 H ILE 78 21.557 13.937 11.522 633 HA ILE 78 HA ILE 78 23.433 12.047 10.313 634 HB ILE 78 HB ILE 78 21.468 14.012 9.197 635 HG12 ILE 78 2HG1 ILE 78 20.809 11.662 9.666 636 HG13 ILE 78 3HG1 ILE 78 20.686 12.077 7.960 637 HG21 ILE 78 1HG2 ILE 78 22.459 13.372 6.922 638 HG22 ILE 78 2HG2 ILE 78 23.309 14.585 7.878 639 HG23 ILE 78 3HG2 ILE 78 23.905 12.927 7.828 640 HD11 ILE 78 3HD1 ILE 78 23.281 11.027 8.452 641 HD12 ILE 78 1HD1 ILE 78 22.082 9.938 9.148 642 HD13 ILE 78 2HD1 ILE 78 21.991 10.375 7.442 643 H THR 79 H THR 79 25.514 12.544 10.303 644 HA THR 79 HA THR 79 26.365 15.313 10.598 645 HB THR 79 HB THR 79 28.684 14.240 10.685 646 HG1 THR 79 HG1 THR 79 28.351 11.903 11.389 647 HG21 THR 79 3HG2 THR 79 28.051 14.834 12.785 648 HG22 THR 79 1HG2 THR 79 27.966 13.086 12.996 649 HG23 THR 79 2HG2 THR 79 26.498 14.007 12.669 650 H SER 80 H SER 80 26.533 12.679 8.267 651 HA SER 80 HA SER 80 27.939 14.436 6.381 652 HB2 SER 80 2HB SER 80 28.166 12.277 5.040 653 HB3 SER 80 3HB SER 80 29.053 12.345 6.562 654 HG SER 80 HG SER 80 27.892 10.752 7.279 655 H VAL 81 H VAL 81 26.287 15.727 5.633 656 HA VAL 81 HA VAL 81 23.707 15.220 5.046 657 HB VAL 81 HB VAL 81 24.829 16.611 2.777 658 HG11 VAL 81 1HG1 VAL 81 22.555 16.853 3.792 659 HG12 VAL 81 2HG1 VAL 81 23.313 17.698 5.143 660 HG13 VAL 81 3HG1 VAL 81 23.403 18.375 3.517 661 HG21 VAL 81 3HG2 VAL 81 25.756 17.542 5.494 662 HG22 VAL 81 1HG2 VAL 81 26.784 16.894 4.216 663 HG23 VAL 81 2HG2 VAL 81 25.942 18.425 3.979 664 HA PRO 82 HA PRO 82 24.747 13.381 0.698 665 HB2 PRO 82 2HB PRO 82 27.346 12.784 0.190 666 HB3 PRO 82 3HB PRO 82 26.634 14.362 -0.170 667 HG2 PRO 82 2HG PRO 82 28.304 13.526 2.170 668 HG3 PRO 82 3HG PRO 82 28.390 15.014 1.208 669 HD2 PRO 82 2HD PRO 82 27.174 14.910 3.626 670 HD3 PRO 82 3HD PRO 82 26.625 15.987 2.326 671 H THR 83 H THR 83 23.723 11.773 2.196 672 HA THR 83 HA THR 83 25.501 9.486 2.727 673 HB THR 83 HB THR 83 22.856 9.251 3.901 674 HG1 THR 83 HG1 THR 83 24.269 11.640 4.227 675 HG21 THR 83 3HG2 THR 83 25.031 8.023 4.443 676 HG22 THR 83 1HG2 THR 83 24.061 8.576 5.807 677 HG23 THR 83 2HG2 THR 83 25.497 9.478 5.322 678 H PHE 84 H PHE 84 24.458 7.323 2.491 679 HA PHE 84 HA PHE 84 22.535 7.290 0.261 680 HB2 PHE 84 2HB PHE 84 25.198 6.039 0.485 681 HB3 PHE 84 3HB PHE 84 23.928 4.987 -0.132 682 HD1 PHE 84 HD1 PHE 84 22.303 6.520 -1.823 683 HD2 PHE 84 HD2 PHE 84 26.497 6.882 -1.196 684 HE1 PHE 84 HE1 PHE 84 22.545 7.533 -4.053 685 HE2 PHE 84 HE2 PHE 84 26.746 7.896 -3.424 686 HZ PHE 84 HZ PHE 84 24.769 8.223 -4.855 687 H VAL 85 H VAL 85 20.696 6.434 0.950 688 HA VAL 85 HA VAL 85 20.817 4.178 2.846 689 HB VAL 85 HB VAL 85 18.435 5.992 2.591 690 HG11 VAL 85 1HG1 VAL 85 17.685 5.011 4.535 691 HG12 VAL 85 2HG1 VAL 85 18.517 3.659 3.765 692 HG13 VAL 85 3HG1 VAL 85 19.306 4.560 5.060 693 HG21 VAL 85 3HG2 VAL 85 20.859 6.378 4.339 694 HG22 VAL 85 1HG2 VAL 85 20.207 7.493 3.138 695 HG23 VAL 85 2HG2 VAL 85 19.310 7.171 4.621 696 H ILE 86 H ILE 86 19.992 2.314 2.164 697 HA ILE 86 HA ILE 86 18.384 2.323 -0.297 698 HB ILE 86 HB ILE 86 19.561 -0.181 0.824 699 HG12 ILE 86 2HG1 ILE 86 21.097 1.894 -0.755 700 HG13 ILE 86 3HG1 ILE 86 21.412 1.417 0.910 701 HG21 ILE 86 1HG2 ILE 86 19.531 0.609 -2.049 702 HG22 ILE 86 2HG2 ILE 86 19.367 -0.986 -1.317 703 HG23 ILE 86 3HG2 ILE 86 18.018 0.149 -1.268 704 HD11 ILE 86 3HD1 ILE 86 22.881 -0.018 0.081 705 HD12 ILE 86 1HD1 ILE 86 21.503 -0.962 -0.485 706 HD13 ILE 86 2HD1 ILE 86 22.279 0.199 -1.562 707 H GLU 87 H GLU 87 16.313 1.737 -0.240 708 HA GLU 87 HA GLU 87 15.348 0.182 2.063 709 HB2 GLU 87 2HB GLU 87 13.332 1.543 2.161 710 HB3 GLU 87 3HB GLU 87 14.758 2.548 2.383 711 HG2 GLU 87 2HG GLU 87 13.489 3.819 0.952 712 HG3 GLU 87 3HG GLU 87 14.555 2.967 -0.163 713 H LYS 88 H LYS 88 13.508 -1.126 1.675 714 HA LYS 88 HA LYS 88 12.796 -1.497 -1.154 715 HB2 LYS 88 2HB LYS 88 14.438 -3.213 -0.556 716 HB3 LYS 88 3HB LYS 88 13.451 -3.696 0.817 717 HG2 LYS 88 2HG LYS 88 11.718 -3.877 -1.324 718 HG3 LYS 88 3HG LYS 88 13.255 -4.454 -1.973 719 HD2 LYS 88 2HD LYS 88 13.267 -6.298 -0.659 720 HD3 LYS 88 3HD LYS 88 12.515 -5.462 0.702 721 HE2 LYS 88 2HE LYS 88 10.426 -5.452 -0.907 722 HE3 LYS 88 3HE LYS 88 11.260 -6.827 -1.629 723 HZ1 LYS 88 3HZ LYS 88 10.586 -8.109 0.029 724 HZ2 LYS 88 1HZ LYS 88 9.668 -6.824 0.635 725 HZ3 LYS 88 2HZ LYS 88 11.248 -7.068 1.187 726 H GLY 89 H GLY 89 10.983 -0.132 -0.264 727 HA2 GLY 89 2HA GLY 89 8.846 0.102 0.570 728 HA3 GLY 89 3HA GLY 89 8.622 -1.495 -0.128 729 H GLY 90 H GLY 90 10.685 -0.603 2.608 730 HA2 GLY 90 2HA GLY 90 8.838 -1.565 4.577 731 HA3 GLY 90 3HA GLY 90 10.092 -2.743 4.218 732 H GLU 91 H GLU 91 12.202 -2.364 4.872 733 HA GLU 91 HA GLU 91 12.643 0.044 6.502 734 HB2 GLU 91 2HB GLU 91 14.134 -1.692 7.875 735 HB3 GLU 91 3HB GLU 91 12.443 -1.396 8.255 736 HG2 GLU 91 2HG GLU 91 11.745 -3.388 7.269 737 HG3 GLU 91 3HG GLU 91 13.248 -3.574 6.367 738 HA PRO 92 HA PRO 92 16.519 0.503 4.503 739 HB2 PRO 92 2HB PRO 92 18.156 1.285 6.523 740 HB3 PRO 92 3HB PRO 92 16.900 2.328 5.846 741 HG2 PRO 92 2HG PRO 92 16.845 0.671 8.338 742 HG3 PRO 92 3HG PRO 92 16.263 2.326 8.082 743 HD2 PRO 92 2HD PRO 92 14.603 0.187 8.112 744 HD3 PRO 92 3HD PRO 92 14.297 1.619 7.108 745 H LEU 93 H LEU 93 17.837 -1.021 3.750 746 HA LEU 93 HA LEU 93 18.903 -3.021 5.632 747 HB2 LEU 93 2HB LEU 93 17.330 -3.565 3.557 748 HB3 LEU 93 3HB LEU 93 18.876 -3.538 2.710 749 HG LEU 93 HG LEU 93 19.707 -5.287 4.251 750 HD11 LEU 93 1HD1 LEU 93 16.867 -5.255 5.260 751 HD12 LEU 93 2HD1 LEU 93 18.320 -4.854 6.175 752 HD13 LEU 93 3HD1 LEU 93 18.055 -6.508 5.621 753 HD21 LEU 93 3HD2 LEU 93 17.271 -5.776 2.570 754 HD22 LEU 93 1HD2 LEU 93 18.110 -7.096 3.385 755 HD23 LEU 93 2HD2 LEU 93 18.963 -6.109 2.197 756 H GLY 94 H GLY 94 19.658 -0.706 3.147 757 HA2 GLY 94 2HA GLY 94 22.513 -1.433 3.364 758 HA3 GLY 94 3HA GLY 94 21.795 -0.637 1.971 759 H GLU 95 H GLU 95 24.075 0.213 3.556 760 HA GLU 95 HA GLU 95 23.345 2.954 3.880 761 HB2 GLU 95 2HB GLU 95 23.683 3.234 6.209 762 HB3 GLU 95 3HB GLU 95 22.570 1.884 6.040 763 HG2 GLU 95 2HG GLU 95 24.791 0.477 6.127 764 HG3 GLU 95 3HG GLU 95 25.394 1.913 6.953 765 H VAL 96 H VAL 96 25.071 4.230 3.540 766 HA VAL 96 HA VAL 96 27.760 3.205 4.032 767 HB VAL 96 HB VAL 96 26.882 4.214 1.323 768 HG11 VAL 96 1HG1 VAL 96 29.011 4.944 1.256 769 HG12 VAL 96 2HG1 VAL 96 29.518 3.911 2.594 770 HG13 VAL 96 3HG1 VAL 96 29.380 3.244 0.967 771 HG21 VAL 96 3HG2 VAL 96 27.758 1.486 2.263 772 HG22 VAL 96 1HG2 VAL 96 26.173 1.943 1.639 773 HG23 VAL 96 2HG2 VAL 96 27.575 1.945 0.570 774 H LYS 97 H LYS 97 29.314 4.796 4.325 775 HA LYS 97 HA LYS 97 28.403 7.585 4.169 776 HB2 LYS 97 2HB LYS 97 30.041 6.563 6.480 777 HB3 LYS 97 3HB LYS 97 29.195 8.099 6.340 778 HG2 LYS 97 2HG LYS 97 27.544 7.172 7.492 779 HG3 LYS 97 3HG LYS 97 27.199 6.196 6.062 780 HD2 LYS 97 2HD LYS 97 28.579 4.411 6.870 781 HD3 LYS 97 3HD LYS 97 29.166 5.404 8.207 782 HE2 LYS 97 2HE LYS 97 27.429 3.750 8.865 783 HE3 LYS 97 3HE LYS 97 26.996 5.420 9.226 784 HZ1 LYS 97 3HZ LYS 97 25.436 5.468 7.544 785 HZ2 LYS 97 1HZ LYS 97 25.263 3.891 8.132 786 HZ3 LYS 97 2HZ LYS 97 26.124 4.172 6.703 787 H GLY 98 H GLY 98 29.659 7.975 2.351 788 HA2 GLY 98 2HA GLY 98 32.081 9.083 2.490 789 HA3 GLY 98 3HA GLY 98 32.507 7.378 2.434 790 HA PRO 99 HA PRO 99 31.674 9.286 -1.868 791 HB2 PRO 99 2HB PRO 99 34.237 9.714 -2.652 792 HB3 PRO 99 3HB PRO 99 33.265 10.943 -1.835 793 HG2 PRO 99 2HG PRO 99 35.341 9.108 -0.702 794 HG3 PRO 99 3HG PRO 99 35.082 10.833 -0.387 795 HD2 PRO 99 2HD PRO 99 34.235 8.899 1.308 796 HD3 PRO 99 3HD PRO 99 33.365 10.432 1.098 797 H ASP 100 H ASP 100 31.034 7.250 -2.534 798 HA ASP 100 HA ASP 100 33.111 5.643 -3.783 799 HB2 ASP 100 2HB ASP 100 32.365 3.553 -2.788 800 HB3 ASP 100 3HB ASP 100 32.855 4.673 -1.520 801 H ILE 101 H ILE 101 31.471 7.168 -5.193 802 HA ILE 101 HA ILE 101 28.945 6.238 -5.869 803 HB ILE 101 HB ILE 101 31.018 7.673 -7.513 804 HG12 ILE 101 2HG1 ILE 101 29.940 8.871 -5.620 805 HG13 ILE 101 3HG1 ILE 101 29.576 9.594 -7.183 806 HG21 ILE 101 1HG2 ILE 101 28.822 8.140 -8.933 807 HG22 ILE 101 2HG2 ILE 101 29.890 6.780 -9.272 808 HG23 ILE 101 3HG2 ILE 101 28.413 6.530 -8.343 809 HD11 ILE 101 3HD1 ILE 101 27.771 7.836 -5.542 810 HD12 ILE 101 1HD1 ILE 101 27.596 9.565 -5.838 811 HD13 ILE 101 2HD1 ILE 101 27.402 8.419 -7.165 812 H ASP 102 H ASP 102 32.085 5.021 -6.748 813 HA ASP 102 HA ASP 102 31.158 3.373 -8.905 814 HB2 ASP 102 2HB ASP 102 33.489 4.193 -8.774 815 HB3 ASP 102 3HB ASP 102 33.739 3.211 -7.333 816 H LYS 103 H LYS 103 32.176 2.754 -5.553 817 HA LYS 103 HA LYS 103 31.619 -0.020 -5.614 818 HB2 LYS 103 2HB LYS 103 33.023 1.418 -3.929 819 HB3 LYS 103 3HB LYS 103 31.489 1.575 -3.081 820 HG2 LYS 103 2HG LYS 103 31.546 -0.534 -2.331 821 HG3 LYS 103 3HG LYS 103 32.178 -1.167 -3.852 822 HD2 LYS 103 2HD LYS 103 33.877 0.421 -1.946 823 HD3 LYS 103 3HD LYS 103 33.692 -1.329 -1.807 824 HE2 LYS 103 2HE LYS 103 34.260 -0.834 -4.504 825 HE3 LYS 103 3HE LYS 103 35.354 0.203 -3.590 826 HZ1 LYS 103 3HZ LYS 103 35.021 -2.688 -3.025 827 HZ2 LYS 103 1HZ LYS 103 36.226 -1.652 -2.444 828 HZ3 LYS 103 2HZ LYS 103 36.199 -2.084 -4.079 829 H LEU 104 H LEU 104 29.606 2.722 -5.399 830 HA LEU 104 HA LEU 104 27.492 1.928 -3.826 831 HB2 LEU 104 2HB LEU 104 27.759 4.119 -4.995 832 HB3 LEU 104 3HB LEU 104 27.235 3.329 -6.481 833 HG LEU 104 HG LEU 104 25.159 2.720 -4.881 834 HD11 LEU 104 1HD1 LEU 104 24.704 5.066 -3.796 835 HD12 LEU 104 2HD1 LEU 104 26.465 5.138 -3.736 836 HD13 LEU 104 3HD1 LEU 104 25.609 3.825 -2.927 837 HD21 LEU 104 3HD2 LEU 104 24.709 5.354 -5.894 838 HD22 LEU 104 1HD2 LEU 104 24.137 3.808 -6.521 839 HD23 LEU 104 2HD2 LEU 104 25.697 4.447 -7.041 840 H ARG 105 H ARG 105 28.308 0.908 -7.086 841 HA ARG 105 HA ARG 105 25.966 -0.325 -7.872 842 HB2 ARG 105 2HB ARG 105 28.812 -1.220 -8.367 843 HB3 ARG 105 3HB ARG 105 27.408 -1.821 -9.238 844 HG2 ARG 105 2HG ARG 105 27.125 0.128 -10.410 845 HG3 ARG 105 3HG ARG 105 27.913 1.111 -9.174 846 HD2 ARG 105 2HD ARG 105 29.199 0.777 -11.327 847 HD3 ARG 105 3HD ARG 105 30.062 0.399 -9.837 848 HE ARG 105 HE ARG 105 30.132 -1.810 -10.467 849 HH11 ARG 105 1HH1 ARG 105 27.921 -0.076 -12.522 850 HH12 ARG 105 2HH1 ARG 105 27.733 -1.383 -13.643 851 HH21 ARG 105 2HH2 ARG 105 28.854 -3.353 -13.308 852 HH22 ARG 105 1HH2 ARG 105 29.892 -3.539 -11.936 853 H GLU 106 H GLU 106 28.594 -1.657 -5.893 854 HA GLU 106 HA GLU 106 27.414 -4.222 -5.589 855 HB2 GLU 106 2HB GLU 106 29.346 -2.995 -3.637 856 HB3 GLU 106 3HB GLU 106 29.152 -4.689 -4.064 857 HG2 GLU 106 2HG GLU 106 29.888 -3.924 -6.424 858 HG3 GLU 106 3HG GLU 106 30.502 -2.502 -5.582 859 H THR 107 H THR 107 27.313 -1.247 -3.708 860 HA THR 107 HA THR 107 26.078 -2.240 -1.401 861 HB THR 107 HB THR 107 25.496 0.502 -2.493 862 HG1 THR 107 HG1 THR 107 27.836 -0.195 -1.035 863 HG21 THR 107 3HG2 THR 107 24.744 -0.710 -0.174 864 HG22 THR 107 1HG2 THR 107 24.917 1.033 -0.380 865 HG23 THR 107 2HG2 THR 107 26.234 0.093 0.322 866 H LEU 108 H LEU 108 24.771 -1.348 -4.521 867 HA LEU 108 HA LEU 108 22.027 -1.507 -3.612 868 HB2 LEU 108 2HB LEU 108 21.456 -0.569 -5.584 869 HB3 LEU 108 3HB LEU 108 23.151 -0.088 -5.565 870 HG LEU 108 HG LEU 108 23.427 -2.377 -6.881 871 HD11 LEU 108 1HD1 LEU 108 21.619 -3.176 -7.967 872 HD12 LEU 108 2HD1 LEU 108 20.873 -1.586 -8.127 873 HD13 LEU 108 3HD1 LEU 108 20.758 -2.463 -6.602 874 HD21 LEU 108 3HD2 LEU 108 24.132 -0.917 -8.394 875 HD22 LEU 108 1HD2 LEU 108 23.286 0.372 -7.539 876 HD23 LEU 108 2HD2 LEU 108 22.465 -0.524 -8.817 877 H ASP 109 H ASP 109 24.404 -3.590 -4.992 878 HA ASP 109 HA ASP 109 22.535 -5.537 -5.995 879 HB2 ASP 109 2HB ASP 109 24.524 -5.629 -7.177 880 HB3 ASP 109 3HB ASP 109 25.510 -5.370 -5.741 881 H GLU 110 H GLU 110 24.671 -5.262 -3.177 882 HA GLU 110 HA GLU 110 24.232 -7.748 -2.035 883 HB2 GLU 110 2HB GLU 110 24.562 -5.145 -0.537 884 HB3 GLU 110 3HB GLU 110 24.903 -6.757 0.076 885 HG2 GLU 110 2HG GLU 110 26.337 -6.105 -2.382 886 HG3 GLU 110 3HG GLU 110 26.730 -5.055 -1.021 887 H LEU 111 H LEU 111 22.110 -5.039 -2.282 888 HA LEU 111 HA LEU 111 20.258 -6.187 -0.322 889 HB2 LEU 111 2HB LEU 111 20.504 -3.906 0.078 890 HB3 LEU 111 3HB LEU 111 20.501 -3.510 -1.639 891 HG LEU 111 HG LEU 111 18.002 -4.652 -0.534 892 HD11 LEU 111 1HD1 LEU 111 17.797 -1.892 -0.106 893 HD12 LEU 111 2HD1 LEU 111 19.287 -2.398 0.690 894 HD13 LEU 111 3HD1 LEU 111 17.760 -3.177 1.102 895 HD21 LEU 111 3HD2 LEU 111 18.895 -2.861 -2.698 896 HD22 LEU 111 1HD2 LEU 111 17.341 -2.468 -1.963 897 HD23 LEU 111 2HD2 LEU 111 17.602 -4.061 -2.674 898 H LEU 112 H LEU 112 20.284 -4.983 -3.672 899 HA LEU 112 HA LEU 112 17.688 -5.758 -4.353 900 HB2 LEU 112 2HB LEU 112 19.266 -4.274 -5.652 901 HB3 LEU 112 3HB LEU 112 20.039 -5.748 -6.231 902 HG LEU 112 HG LEU 112 17.949 -6.419 -7.313 903 HD11 LEU 112 1HD1 LEU 112 16.369 -5.365 -5.802 904 HD12 LEU 112 2HD1 LEU 112 16.083 -4.838 -7.460 905 HD13 LEU 112 3HD1 LEU 112 16.907 -3.768 -6.325 906 HD21 LEU 112 3HD2 LEU 112 19.376 -3.920 -7.955 907 HD22 LEU 112 1HD2 LEU 112 17.842 -4.171 -8.787 908 HD23 LEU 112 2HD2 LEU 112 19.127 -5.371 -8.927 909 H ALA 113 H ALA 113 20.516 -7.634 -3.856 910 HA ALA 113 HA ALA 113 19.891 -9.862 -5.487 911 HB1 ALA 113 1HB ALA 113 22.121 -9.687 -4.763 912 HB2 ALA 113 2HB ALA 113 21.646 -9.526 -3.071 913 HB3 ALA 113 3HB ALA 113 21.459 -11.074 -3.896 914 H ARG 114 H ARG 114 18.910 -8.883 -2.277 915 HA ARG 114 HA ARG 114 17.992 -11.262 -1.215 916 HB2 ARG 114 2HB ARG 114 17.101 -8.416 -0.924 917 HB3 ARG 114 3HB ARG 114 16.187 -9.701 -0.147 918 HG2 ARG 114 2HG ARG 114 19.032 -9.937 0.348 919 HG3 ARG 114 3HG ARG 114 18.382 -8.386 0.883 920 HD2 ARG 114 2HD ARG 114 16.942 -10.918 1.549 921 HD3 ARG 114 3HD ARG 114 18.355 -10.440 2.489 922 HE ARG 114 HE ARG 114 16.596 -8.259 2.305 923 HH11 ARG 114 1HH1 ARG 114 16.830 -11.399 3.792 924 HH12 ARG 114 2HH1 ARG 114 15.829 -10.978 5.141 925 HH21 ARG 114 2HH2 ARG 114 14.944 -8.871 5.302 926 HH22 ARG 114 1HH2 ARG 114 15.276 -7.694 4.077 927 H LEU 115 H LEU 115 16.244 -8.987 -3.315 928 HA LEU 115 HA LEU 115 14.007 -10.830 -3.536 929 HB2 LEU 115 2HB LEU 115 14.450 -8.010 -3.950 930 HB3 LEU 115 3HB LEU 115 13.655 -8.732 -5.348 931 HG LEU 115 HG LEU 115 12.104 -7.734 -3.672 932 HD11 LEU 115 1HD1 LEU 115 10.798 -9.143 -4.809 933 HD12 LEU 115 2HD1 LEU 115 10.940 -10.202 -3.406 934 HD13 LEU 115 3HD1 LEU 115 12.009 -10.425 -4.791 935 HD21 LEU 115 3HD2 LEU 115 13.385 -8.346 -1.663 936 HD22 LEU 115 1HD2 LEU 115 13.001 -10.043 -1.951 937 HD23 LEU 115 2HD2 LEU 115 11.711 -8.899 -1.582 938 H GLU 116 H GLU 116 16.806 -9.846 -5.331 939 HA GLU 116 HA GLU 116 15.927 -11.524 -7.589 940 HB2 GLU 116 2HB GLU 116 16.945 -8.859 -7.550 941 HB3 GLU 116 3HB GLU 116 18.125 -9.885 -8.351 942 HG2 GLU 116 2HG GLU 116 16.923 -9.713 -10.196 943 HG3 GLU 116 3HG GLU 116 15.662 -10.654 -9.402 Start of MODEL 19 1 H1 MET 1 H MET 1 -1.808 2.671 -1.681 2 HA MET 1 HA MET 1 -0.258 3.694 -3.379 3 HB2 MET 1 2HB MET 1 0.284 3.644 -0.449 4 HB3 MET 1 3HB MET 1 1.487 4.384 -1.496 5 HG2 MET 1 2HG MET 1 -1.410 5.153 -1.595 6 HG3 MET 1 3HG MET 1 -0.268 5.905 -0.483 7 HE1 MET 1 3HE MET 1 -1.888 7.233 -3.741 8 HE2 MET 1 1HE MET 1 -1.887 7.503 -1.998 9 HE3 MET 1 2HE MET 1 -0.993 8.592 -3.058 10 H ALA 2 H ALA 2 0.325 1.537 -4.464 11 HA ALA 2 HA ALA 2 3.203 1.184 -4.161 12 HB1 ALA 2 1HB ALA 2 2.341 -0.565 -2.748 13 HB2 ALA 2 2HB ALA 2 1.256 -1.114 -4.027 14 HB3 ALA 2 3HB ALA 2 3.001 -1.281 -4.219 15 H ARG 3 H ARG 3 0.720 -0.689 -5.882 16 HA ARG 3 HA ARG 3 0.469 -1.198 -8.087 17 HB2 ARG 3 2HB ARG 3 1.460 1.636 -8.451 18 HB3 ARG 3 3HB ARG 3 0.619 0.679 -9.664 19 HG2 ARG 3 2HG ARG 3 -1.397 1.050 -8.748 20 HG3 ARG 3 3HG ARG 3 -0.781 0.953 -7.097 21 HD2 ARG 3 2HD ARG 3 0.000 3.193 -7.165 22 HD3 ARG 3 3HD ARG 3 -0.251 3.297 -8.907 23 HE ARG 3 HE ARG 3 -2.206 3.704 -6.854 24 HH11 ARG 3 1HH1 ARG 3 -1.726 2.714 -10.157 25 HH12 ARG 3 2HH1 ARG 3 -3.331 3.136 -10.654 26 HH21 ARG 3 2HH2 ARG 3 -4.807 4.018 -9.140 27 HH22 ARG 3 1HH2 ARG 3 -4.322 4.264 -7.496 28 HA PRO 4 HA PRO 4 5.010 -2.078 -8.528 29 HB2 PRO 4 2HB PRO 4 4.711 -4.771 -8.692 30 HB3 PRO 4 3HB PRO 4 4.866 -3.914 -7.154 31 HG2 PRO 4 2HG PRO 4 2.400 -4.911 -8.527 32 HG3 PRO 4 3HG PRO 4 2.838 -4.999 -6.811 33 HD2 PRO 4 2HD PRO 4 1.123 -3.143 -7.782 34 HD3 PRO 4 3HD PRO 4 2.197 -2.823 -6.405 35 H SER 5 H SER 5 6.091 -2.597 -10.413 36 HA SER 5 HA SER 5 4.811 -3.877 -12.627 37 HB2 SER 5 2HB SER 5 5.578 -1.295 -13.657 38 HB3 SER 5 3HB SER 5 4.026 -2.123 -13.782 39 HG SER 5 HG SER 5 4.742 -0.052 -12.196 40 H ASN 6 H ASN 6 6.275 -3.431 -14.697 41 HA ASN 6 HA ASN 6 8.804 -4.491 -14.113 42 HB2 ASN 6 2HB ASN 6 8.009 -3.035 -16.642 43 HB3 ASN 6 3HB ASN 6 9.290 -4.232 -16.466 44 HD21 ASN 6 2HD2 ASN 6 5.765 -5.450 -17.608 45 HD22 ASN 6 1HD2 ASN 6 6.433 -3.867 -17.790 46 H VAL 7 H VAL 7 10.685 -3.176 -15.561 47 HA VAL 7 HA VAL 7 11.748 -1.328 -13.811 48 HB VAL 7 HB VAL 7 13.295 -0.678 -15.564 49 HG11 VAL 7 1HG1 VAL 7 13.200 -3.070 -14.478 50 HG12 VAL 7 2HG1 VAL 7 12.854 -3.568 -16.136 51 HG13 VAL 7 3HG1 VAL 7 14.347 -2.705 -15.767 52 HG21 VAL 7 3HG2 VAL 7 12.921 -1.779 -17.864 53 HG22 VAL 7 1HG2 VAL 7 11.235 -1.904 -17.363 54 HG23 VAL 7 2HG2 VAL 7 12.008 -0.322 -17.474 55 H LYS 8 H LYS 8 11.953 0.936 -13.825 56 HA LYS 8 HA LYS 8 10.472 2.559 -15.669 57 HB2 LYS 8 2HB LYS 8 9.346 1.873 -13.008 58 HB3 LYS 8 3HB LYS 8 9.224 3.554 -13.511 59 HG2 LYS 8 2HG LYS 8 8.320 2.437 -15.735 60 HG3 LYS 8 3HG LYS 8 7.906 1.138 -14.614 61 HD2 LYS 8 2HD LYS 8 6.115 2.279 -13.959 62 HD3 LYS 8 3HD LYS 8 7.154 3.598 -13.414 63 HE2 LYS 8 2HE LYS 8 6.763 4.847 -15.263 64 HE3 LYS 8 3HE LYS 8 6.653 3.441 -16.320 65 HZ1 LYS 8 3HZ LYS 8 4.559 4.929 -15.507 66 HZ2 LYS 8 1HZ LYS 8 4.506 3.643 -14.410 67 HZ3 LYS 8 2HZ LYS 8 4.449 3.339 -16.073 68 HA PRO 9 HA PRO 9 14.128 4.519 -13.581 69 HB2 PRO 9 2HB PRO 9 15.296 5.347 -15.888 70 HB3 PRO 9 3HB PRO 9 15.563 3.741 -15.199 71 HG2 PRO 9 2HG PRO 9 13.726 4.571 -17.412 72 HG3 PRO 9 3HG PRO 9 14.785 3.152 -17.309 73 HD2 PRO 9 2HD PRO 9 12.123 3.022 -16.827 74 HD3 PRO 9 3HD PRO 9 13.296 1.980 -15.996 75 H SER 10 H SER 10 13.863 6.524 -12.843 76 HA SER 10 HA SER 10 13.473 8.799 -14.419 77 HB2 SER 10 2HB SER 10 11.242 9.154 -14.539 78 HB3 SER 10 3HB SER 10 11.110 7.419 -14.249 79 HG SER 10 HG SER 10 10.889 7.870 -12.033 80 HA PRO 11 HA PRO 11 14.627 10.781 -10.681 81 HB2 PRO 11 2HB PRO 11 13.436 13.209 -10.913 82 HB3 PRO 11 3HB PRO 11 14.830 12.727 -11.886 83 HG2 PRO 11 2HG PRO 11 11.926 12.735 -12.611 84 HG3 PRO 11 3HG PRO 11 13.321 13.255 -13.574 85 HD2 PRO 11 2HD PRO 11 12.123 10.852 -13.925 86 HD3 PRO 11 3HD PRO 11 13.861 11.100 -14.186 87 H HIS 12 H HIS 12 13.760 11.976 -8.740 88 HA HIS 12 HA HIS 12 10.947 11.729 -8.177 89 HB2 HIS 12 2HB HIS 12 12.370 9.455 -7.725 90 HB3 HIS 12 3HB HIS 12 12.532 10.259 -6.167 91 HD1 HIS 12 HD1 HIS 12 10.658 7.705 -7.312 92 HD2 HIS 12 HD2 HIS 12 9.529 11.392 -5.765 93 HE1 HIS 12 HE1 HIS 12 8.303 7.395 -6.486 94 H VAL 13 H VAL 13 10.753 13.775 -7.470 95 HA VAL 13 HA VAL 13 12.543 14.647 -5.295 96 HB VAL 13 HB VAL 13 12.757 15.985 -7.376 97 HG11 VAL 13 1HG1 VAL 13 10.203 17.368 -6.968 98 HG12 VAL 13 2HG1 VAL 13 11.022 16.910 -8.463 99 HG13 VAL 13 3HG1 VAL 13 10.058 15.722 -7.585 100 HG21 VAL 13 3HG2 VAL 13 13.053 16.879 -4.998 101 HG22 VAL 13 1HG2 VAL 13 12.850 18.061 -6.291 102 HG23 VAL 13 2HG2 VAL 13 11.494 17.670 -5.234 103 H ILE 14 H ILE 14 11.658 15.575 -3.478 104 HA ILE 14 HA ILE 14 8.717 15.595 -3.312 105 HB ILE 14 HB ILE 14 8.906 14.863 -0.958 106 HG12 ILE 14 2HG1 ILE 14 11.235 13.632 -0.573 107 HG13 ILE 14 3HG1 ILE 14 11.803 14.890 -1.666 108 HG21 ILE 14 1HG2 ILE 14 8.649 13.324 -3.028 109 HG22 ILE 14 2HG2 ILE 14 10.284 12.802 -2.628 110 HG23 ILE 14 3HG2 ILE 14 8.984 12.603 -1.453 111 HD11 ILE 14 3HD1 ILE 14 11.079 15.044 1.132 112 HD12 ILE 14 1HD1 ILE 14 12.023 16.156 0.141 113 HD13 ILE 14 2HD1 ILE 14 10.263 16.266 0.157 114 H LYS 15 H LYS 15 8.012 16.814 -1.245 115 HA LYS 15 HA LYS 15 9.749 18.952 -0.399 116 HB2 LYS 15 2HB LYS 15 8.696 19.596 -2.681 117 HB3 LYS 15 3HB LYS 15 7.210 19.801 -1.763 118 HG2 LYS 15 2HG LYS 15 7.917 21.699 -0.781 119 HG3 LYS 15 3HG LYS 15 9.588 21.143 -0.661 120 HD2 LYS 15 2HD LYS 15 8.676 21.586 -3.407 121 HD3 LYS 15 3HD LYS 15 8.671 23.041 -2.408 122 HE2 LYS 15 2HE LYS 15 10.828 23.148 -3.078 123 HE3 LYS 15 3HE LYS 15 11.062 22.044 -1.723 124 HZ1 LYS 15 3HZ LYS 15 11.113 21.494 -4.598 125 HZ2 LYS 15 1HZ LYS 15 10.559 20.273 -3.567 126 HZ3 LYS 15 2HZ LYS 15 12.115 20.904 -3.369 127 H SER 16 H SER 16 8.075 16.738 0.689 128 HA SER 16 HA SER 16 6.834 18.284 2.810 129 HB2 SER 16 2HB SER 16 5.294 16.921 0.747 130 HB3 SER 16 3HB SER 16 4.901 16.335 2.363 131 HG SER 16 HG SER 16 3.982 18.178 2.800 132 H LEU 17 H LEU 17 6.239 16.938 4.668 133 HA LEU 17 HA LEU 17 8.253 14.993 5.204 134 HB2 LEU 17 2HB LEU 17 6.826 16.651 6.754 135 HB3 LEU 17 3HB LEU 17 5.890 15.175 6.974 136 HG LEU 17 HG LEU 17 7.980 14.040 7.722 137 HD11 LEU 17 1HD1 LEU 17 9.982 15.096 7.934 138 HD12 LEU 17 2HD1 LEU 17 9.250 16.683 8.168 139 HD13 LEU 17 3HD1 LEU 17 9.346 15.986 6.551 140 HD21 LEU 17 3HD2 LEU 17 8.026 15.112 9.932 141 HD22 LEU 17 1HD2 LEU 17 6.381 14.882 9.340 142 HD23 LEU 17 2HD2 LEU 17 7.124 16.480 9.277 143 H GLU 18 H GLU 18 4.698 14.780 5.013 144 HA GLU 18 HA GLU 18 4.410 12.060 5.377 145 HB2 GLU 18 2HB GLU 18 2.690 14.066 4.886 146 HB3 GLU 18 3HB GLU 18 2.688 13.299 3.304 147 HG2 GLU 18 2HG GLU 18 2.261 11.119 4.608 148 HG3 GLU 18 3HG GLU 18 1.813 12.187 5.937 149 H GLU 19 H GLU 19 4.906 13.798 2.314 150 HA GLU 19 HA GLU 19 4.793 11.686 0.550 151 HB2 GLU 19 2HB GLU 19 5.125 14.181 0.068 152 HB3 GLU 19 3HB GLU 19 6.841 13.880 0.300 153 HG2 GLU 19 2HG GLU 19 6.607 13.709 -1.983 154 HG3 GLU 19 3HG GLU 19 6.519 12.026 -1.466 155 H LEU 20 H LEU 20 7.434 12.651 2.658 156 HA LEU 20 HA LEU 20 9.374 10.896 1.541 157 HB2 LEU 20 2HB LEU 20 9.505 12.976 3.231 158 HB3 LEU 20 3HB LEU 20 9.580 11.653 4.392 159 HG LEU 20 HG LEU 20 11.509 10.765 2.933 160 HD11 LEU 20 1HD1 LEU 20 12.331 11.999 1.267 161 HD12 LEU 20 2HD1 LEU 20 12.203 13.495 2.192 162 HD13 LEU 20 3HD1 LEU 20 10.799 12.872 1.324 163 HD21 LEU 20 3HD2 LEU 20 13.106 12.021 4.197 164 HD22 LEU 20 1HD2 LEU 20 11.688 11.758 5.213 165 HD23 LEU 20 2HD2 LEU 20 11.950 13.329 4.455 166 H ARG 21 H ARG 21 7.758 10.742 4.722 167 HA ARG 21 HA ARG 21 8.497 8.169 5.395 168 HB2 ARG 21 2HB ARG 21 7.230 9.953 6.771 169 HB3 ARG 21 3HB ARG 21 5.775 9.248 6.077 170 HG2 ARG 21 2HG ARG 21 6.853 7.010 6.960 171 HG3 ARG 21 3HG ARG 21 7.674 8.120 8.060 172 HD2 ARG 21 2HD ARG 21 5.639 7.319 9.084 173 HD3 ARG 21 3HD ARG 21 5.483 9.037 8.721 174 HE ARG 21 HE ARG 21 3.758 8.531 7.315 175 HH11 ARG 21 1HH1 ARG 21 5.621 5.646 7.884 176 HH12 ARG 21 2HH1 ARG 21 4.520 4.611 7.036 177 HH21 ARG 21 2HH2 ARG 21 2.633 5.484 6.076 178 HH22 ARG 21 1HH2 ARG 21 2.301 7.179 6.196 179 H GLU 22 H GLU 22 6.022 9.243 3.190 180 HA GLU 22 HA GLU 22 4.707 6.696 3.008 181 HB2 GLU 22 2HB GLU 22 3.547 8.846 2.563 182 HB3 GLU 22 3HB GLU 22 4.552 9.065 1.137 183 HG2 GLU 22 2HG GLU 22 2.530 8.231 0.328 184 HG3 GLU 22 3HG GLU 22 3.622 6.847 0.327 185 H ALA 23 H ALA 23 7.227 8.390 1.255 186 HA ALA 23 HA ALA 23 7.314 6.620 -0.972 187 HB1 ALA 23 1HB ALA 23 8.755 8.957 -0.057 188 HB2 ALA 23 2HB ALA 23 9.835 7.753 -0.762 189 HB3 ALA 23 3HB ALA 23 8.475 8.373 -1.698 190 H THR 24 H THR 24 8.581 6.508 2.237 191 HA THR 24 HA THR 24 10.682 4.638 1.723 192 HB THR 24 HB THR 24 10.052 4.307 4.386 193 HG1 THR 24 HG1 THR 24 8.893 5.961 4.991 194 HG21 THR 24 3HG2 THR 24 11.855 6.289 3.008 195 HG22 THR 24 1HG2 THR 24 12.280 4.704 3.652 196 HG23 THR 24 2HG2 THR 24 11.870 6.022 4.750 197 H ALA 25 H ALA 25 7.287 4.397 2.103 198 HA ALA 25 HA ALA 25 7.400 1.556 2.781 199 HB1 ALA 25 1HB ALA 25 5.010 1.691 3.089 200 HB2 ALA 25 2HB ALA 25 5.793 3.010 3.962 201 HB3 ALA 25 3HB ALA 25 4.986 3.326 2.426 202 H SER 26 H SER 26 7.987 3.040 0.086 203 HA SER 26 HA SER 26 6.121 2.256 -1.825 204 HB2 SER 26 2HB SER 26 8.993 2.996 -1.850 205 HB3 SER 26 3HB SER 26 8.407 2.102 -3.253 206 HG SER 26 HG SER 26 7.104 3.732 -3.775 207 H ASN 27 H ASN 27 6.908 0.637 -3.668 208 HA ASN 27 HA ASN 27 7.514 -1.919 -2.333 209 HB2 ASN 27 2HB ASN 27 6.055 -3.029 -3.942 210 HB3 ASN 27 3HB ASN 27 5.166 -1.768 -3.093 211 HD21 ASN 27 2HD2 ASN 27 4.898 0.347 -5.937 212 HD22 ASN 27 1HD2 ASN 27 5.108 0.368 -4.222 213 H ARG 28 H ARG 28 9.684 -0.649 -3.091 214 HA ARG 28 HA ARG 28 10.780 -2.318 -5.131 215 HB2 ARG 28 2HB ARG 28 11.300 -0.715 -6.793 216 HB3 ARG 28 3HB ARG 28 9.594 -0.489 -6.430 217 HG2 ARG 28 2HG ARG 28 10.116 1.434 -5.047 218 HG3 ARG 28 3HG ARG 28 11.840 1.189 -5.333 219 HD2 ARG 28 2HD ARG 28 11.065 2.929 -6.790 220 HD3 ARG 28 3HD ARG 28 11.424 1.502 -7.761 221 HE ARG 28 HE ARG 28 8.668 1.724 -6.951 222 HH11 ARG 28 1HH1 ARG 28 11.043 2.561 -9.355 223 HH12 ARG 28 2HH1 ARG 28 9.877 2.795 -10.614 224 HH21 ARG 28 2HH2 ARG 28 7.647 2.493 -10.185 225 HH22 ARG 28 1HH2 ARG 28 7.123 2.029 -8.601 226 H ILE 29 H ILE 29 13.058 -0.982 -5.784 227 HA ILE 29 HA ILE 29 14.345 -0.667 -3.161 228 HB ILE 29 HB ILE 29 15.715 -1.202 -5.794 229 HG12 ILE 29 2HG1 ILE 29 15.848 -3.512 -4.240 230 HG13 ILE 29 3HG1 ILE 29 14.178 -2.980 -4.081 231 HG21 ILE 29 1HG2 ILE 29 17.345 -0.410 -4.371 232 HG22 ILE 29 2HG2 ILE 29 16.575 -1.089 -2.939 233 HG23 ILE 29 3HG2 ILE 29 17.426 -2.144 -4.066 234 HD11 ILE 29 3HD1 ILE 29 15.574 -4.141 -6.362 235 HD12 ILE 29 1HD1 ILE 29 13.856 -4.123 -5.966 236 HD13 ILE 29 2HD1 ILE 29 14.592 -2.731 -6.760 237 H SER 30 H SER 30 13.462 1.573 -3.191 238 HA SER 30 HA SER 30 14.659 3.434 -5.050 239 HB2 SER 30 2HB SER 30 13.007 3.988 -2.574 240 HB3 SER 30 3HB SER 30 13.398 5.142 -3.848 241 HG SER 30 HG SER 30 12.337 3.270 -5.175 242 H VAL 31 H VAL 31 16.285 4.870 -4.649 243 HA VAL 31 HA VAL 31 17.889 4.349 -2.254 244 HB VAL 31 HB VAL 31 18.698 5.947 -4.682 245 HG11 VAL 31 1HG1 VAL 31 20.321 4.620 -2.512 246 HG12 VAL 31 2HG1 VAL 31 20.968 5.510 -3.891 247 HG13 VAL 31 3HG1 VAL 31 20.019 6.350 -2.665 248 HG21 VAL 31 3HG2 VAL 31 19.168 3.019 -4.121 249 HG22 VAL 31 1HG2 VAL 31 18.103 3.679 -5.362 250 HG23 VAL 31 2HG2 VAL 31 19.844 3.934 -5.468 251 H ILE 32 H ILE 32 17.074 5.595 -0.641 252 HA ILE 32 HA ILE 32 16.260 8.319 -1.075 253 HB ILE 32 HB ILE 32 16.662 6.825 1.518 254 HG12 ILE 32 2HG1 ILE 32 13.932 7.434 0.672 255 HG13 ILE 32 3HG1 ILE 32 14.770 6.365 -0.448 256 HG21 ILE 32 1HG2 ILE 32 15.175 9.390 0.974 257 HG22 ILE 32 2HG2 ILE 32 15.317 8.573 2.529 258 HG23 ILE 32 3HG2 ILE 32 16.746 9.268 1.765 259 HD11 ILE 32 3HD1 ILE 32 13.713 4.929 1.038 260 HD12 ILE 32 1HD1 ILE 32 15.376 4.991 1.622 261 HD13 ILE 32 2HD1 ILE 32 14.120 5.923 2.437 262 H VAL 33 H VAL 33 17.678 9.905 -1.335 263 HA VAL 33 HA VAL 33 20.111 9.901 0.329 264 HB VAL 33 HB VAL 33 19.936 10.938 -2.503 265 HG11 VAL 33 1HG1 VAL 33 21.536 12.167 -1.184 266 HG12 VAL 33 2HG1 VAL 33 22.251 10.668 -0.589 267 HG13 VAL 33 3HG1 VAL 33 22.397 11.101 -2.293 268 HG21 VAL 33 3HG2 VAL 33 21.397 8.490 -1.528 269 HG22 VAL 33 1HG2 VAL 33 19.808 8.445 -2.293 270 HG23 VAL 33 2HG2 VAL 33 21.204 9.037 -3.194 271 H PHE 34 H PHE 34 20.360 11.651 1.553 272 HA PHE 34 HA PHE 34 18.656 13.981 1.007 273 HB2 PHE 34 2HB PHE 34 19.942 14.103 3.574 274 HB3 PHE 34 3HB PHE 34 18.223 14.018 3.200 275 HD1 PHE 34 HD1 PHE 34 21.041 12.300 4.549 276 HD2 PHE 34 HD2 PHE 34 17.210 11.723 2.787 277 HE1 PHE 34 HE1 PHE 34 20.958 10.025 5.483 278 HE2 PHE 34 HE2 PHE 34 17.120 9.447 3.719 279 HZ PHE 34 HZ PHE 34 18.995 8.596 5.069 280 H THR 35 H THR 35 19.558 15.785 0.282 281 HA THR 35 HA THR 35 22.262 16.508 1.076 282 HB THR 35 HB THR 35 22.534 15.168 -1.008 283 HG1 THR 35 HG1 THR 35 23.747 16.889 -2.098 284 HG21 THR 35 3HG2 THR 35 20.630 15.536 -2.297 285 HG22 THR 35 1HG2 THR 35 21.855 16.492 -3.129 286 HG23 THR 35 2HG2 THR 35 20.691 17.283 -2.066 287 H HIS 36 H HIS 36 22.819 18.691 -0.153 288 HA HIS 36 HA HIS 36 20.467 20.421 0.200 289 HB2 HIS 36 2HB HIS 36 23.410 21.098 0.389 290 HB3 HIS 36 3HB HIS 36 22.088 22.239 0.618 291 HD1 HIS 36 HD1 HIS 36 21.702 22.684 3.006 292 HD2 HIS 36 HD2 HIS 36 22.939 18.771 2.359 293 HE1 HIS 36 HE1 HIS 36 21.777 21.617 5.282 294 HA PRO 37 HA PRO 37 21.063 20.647 -4.315 295 HB2 PRO 37 2HB PRO 37 18.482 21.313 -4.827 296 HB3 PRO 37 3HB PRO 37 19.014 19.644 -4.584 297 HG2 PRO 37 2HG PRO 37 17.699 21.514 -2.650 298 HG3 PRO 37 3HG PRO 37 17.380 19.793 -2.936 299 HD2 PRO 37 2HD PRO 37 18.870 20.672 -0.853 300 HD3 PRO 37 3HD PRO 37 19.175 19.119 -1.656 301 H ASP 38 H ASP 38 20.320 22.889 -1.894 302 HA ASP 38 HA ASP 38 20.091 25.144 -3.734 303 HB2 ASP 38 2HB ASP 38 19.340 26.418 -1.931 304 HB3 ASP 38 3HB ASP 38 18.705 24.817 -1.562 305 H SER 39 H SER 39 22.581 23.487 -3.231 306 HA SER 39 HA SER 39 24.357 25.748 -2.586 307 HB2 SER 39 2HB SER 39 24.597 24.270 -0.747 308 HB3 SER 39 3HB SER 39 24.603 22.848 -1.790 309 HG SER 39 HG SER 39 26.613 24.853 -1.712 310 H LYS 40 H LYS 40 25.578 26.337 -4.239 311 HA LYS 40 HA LYS 40 25.704 24.811 -6.646 312 HB2 LYS 40 2HB LYS 40 26.537 27.464 -5.734 313 HB3 LYS 40 3HB LYS 40 27.660 26.743 -6.880 314 HG2 LYS 40 2HG LYS 40 24.718 26.830 -7.436 315 HG3 LYS 40 3HG LYS 40 25.765 28.208 -7.786 316 HD2 LYS 40 2HD LYS 40 27.210 26.632 -9.116 317 HD3 LYS 40 3HD LYS 40 25.942 25.420 -8.918 318 HE2 LYS 40 2HE LYS 40 24.902 26.272 -10.685 319 HE3 LYS 40 3HE LYS 40 24.674 27.776 -9.793 320 HZ1 LYS 40 3HZ LYS 40 26.207 27.386 -12.062 321 HZ2 LYS 40 1HZ LYS 40 27.311 27.630 -10.803 322 HZ3 LYS 40 2HZ LYS 40 26.116 28.785 -11.116 323 H ARG 41 H ARG 41 28.182 25.785 -4.275 324 HA ARG 41 HA ARG 41 30.365 24.505 -5.361 325 HB2 ARG 41 2HB ARG 41 29.577 25.366 -2.646 326 HB3 ARG 41 3HB ARG 41 30.851 24.156 -2.719 327 HG2 ARG 41 2HG ARG 41 32.320 25.572 -3.793 328 HG3 ARG 41 3HG ARG 41 31.031 26.603 -4.417 329 HD2 ARG 41 2HD ARG 41 32.011 27.880 -2.727 330 HD3 ARG 41 3HD ARG 41 30.577 27.192 -1.967 331 HE ARG 41 HE ARG 41 31.935 26.016 -0.548 332 HH11 ARG 41 1HH1 ARG 41 33.827 27.210 -3.215 333 HH12 ARG 41 2HH1 ARG 41 35.343 26.742 -2.520 334 HH21 ARG 41 2HH2 ARG 41 35.398 25.708 -0.476 335 HH22 ARG 41 1HH2 ARG 41 33.925 25.395 0.379 336 H SER 42 H SER 42 27.673 23.141 -3.611 337 HA SER 42 HA SER 42 28.949 20.493 -3.683 338 HB2 SER 42 2HB SER 42 26.383 21.003 -2.229 339 HB3 SER 42 3HB SER 42 27.675 19.863 -1.854 340 HG SER 42 HG SER 42 28.417 21.322 -0.555 341 H LYS 43 H LYS 43 26.810 18.837 -3.621 342 HA LYS 43 HA LYS 43 25.284 17.770 -4.927 343 HB2 LYS 43 2HB LYS 43 24.386 20.389 -4.741 344 HB3 LYS 43 3HB LYS 43 24.355 20.063 -6.469 345 HG2 LYS 43 2HG LYS 43 23.245 17.812 -5.176 346 HG3 LYS 43 3HG LYS 43 22.513 19.249 -4.459 347 HD2 LYS 43 2HD LYS 43 22.663 18.625 -7.408 348 HD3 LYS 43 3HD LYS 43 21.232 18.459 -6.389 349 HE2 LYS 43 2HE LYS 43 22.134 21.063 -5.961 350 HE3 LYS 43 3HE LYS 43 22.307 20.801 -7.695 351 HZ1 LYS 43 3HZ LYS 43 20.051 21.604 -6.608 352 HZ2 LYS 43 1HZ LYS 43 19.808 19.936 -6.463 353 HZ3 LYS 43 2HZ LYS 43 20.083 20.621 -7.984 354 H GLU 44 H GLU 44 28.046 18.711 -5.933 355 HA GLU 44 HA GLU 44 27.697 18.771 -8.800 356 HB2 GLU 44 2HB GLU 44 30.294 18.402 -7.314 357 HB3 GLU 44 3HB GLU 44 30.056 19.040 -8.934 358 HG2 GLU 44 2HG GLU 44 28.573 20.731 -7.322 359 HG3 GLU 44 3HG GLU 44 30.028 20.400 -6.384 360 H ILE 45 H ILE 45 28.782 16.466 -6.358 361 HA ILE 45 HA ILE 45 29.638 14.452 -8.145 362 HB ILE 45 HB ILE 45 29.422 12.913 -6.217 363 HG12 ILE 45 2HG1 ILE 45 28.911 14.279 -4.002 364 HG13 ILE 45 3HG1 ILE 45 27.952 15.262 -5.103 365 HG21 ILE 45 1HG2 ILE 45 31.181 15.002 -6.568 366 HG22 ILE 45 2HG2 ILE 45 30.696 15.158 -4.881 367 HG23 ILE 45 3HG2 ILE 45 31.390 13.645 -5.462 368 HD11 ILE 45 3HD1 ILE 45 27.589 12.322 -5.191 369 HD12 ILE 45 1HD1 ILE 45 26.930 13.206 -3.815 370 HD13 ILE 45 2HD1 ILE 45 26.423 13.619 -5.454 371 H LYS 46 H LYS 46 26.549 15.596 -7.394 372 HA LYS 46 HA LYS 46 24.901 13.398 -7.398 373 HB2 LYS 46 2HB LYS 46 24.505 16.098 -8.688 374 HB3 LYS 46 3HB LYS 46 23.227 14.897 -8.561 375 HG2 LYS 46 2HG LYS 46 24.715 16.028 -6.203 376 HG3 LYS 46 3HG LYS 46 23.174 16.650 -6.800 377 HD2 LYS 46 2HD LYS 46 22.002 14.920 -5.947 378 HD3 LYS 46 3HD LYS 46 23.264 13.745 -6.324 379 HE2 LYS 46 2HE LYS 46 24.130 15.591 -4.279 380 HE3 LYS 46 3HE LYS 46 22.625 14.797 -3.819 381 HZ1 LYS 46 3HZ LYS 46 25.067 13.742 -3.476 382 HZ2 LYS 46 1HZ LYS 46 24.620 13.038 -4.948 383 HZ3 LYS 46 2HZ LYS 46 23.644 12.833 -3.582 384 H GLU 47 H GLU 47 26.271 15.071 -10.213 385 HA GLU 47 HA GLU 47 25.026 13.712 -12.255 386 HB2 GLU 47 2HB GLU 47 26.591 15.618 -12.547 387 HB3 GLU 47 3HB GLU 47 27.934 14.538 -12.197 388 HG2 GLU 47 2HG GLU 47 27.610 13.321 -14.183 389 HG3 GLU 47 3HG GLU 47 26.021 14.035 -14.453 390 H LYS 48 H LYS 48 27.670 12.649 -10.210 391 HA LYS 48 HA LYS 48 28.516 10.419 -11.663 392 HB2 LYS 48 2HB LYS 48 28.414 10.680 -8.653 393 HB3 LYS 48 3HB LYS 48 29.452 9.602 -9.577 394 HG2 LYS 48 2HG LYS 48 30.417 11.712 -10.633 395 HG3 LYS 48 3HG LYS 48 29.601 12.587 -9.336 396 HD2 LYS 48 2HD LYS 48 30.823 11.307 -7.672 397 HD3 LYS 48 3HD LYS 48 31.593 10.353 -8.942 398 HE2 LYS 48 2HE LYS 48 32.327 12.736 -9.803 399 HE3 LYS 48 3HE LYS 48 32.076 13.173 -8.114 400 HZ1 LYS 48 3HZ LYS 48 33.544 10.769 -8.273 401 HZ2 LYS 48 1HZ LYS 48 34.002 12.248 -7.591 402 HZ3 LYS 48 2HZ LYS 48 34.296 11.944 -9.229 403 H LEU 49 H LEU 49 25.848 10.816 -9.397 404 HA LEU 49 HA LEU 49 25.166 8.022 -9.404 405 HB2 LEU 49 2HB LEU 49 24.733 9.600 -7.507 406 HB3 LEU 49 3HB LEU 49 23.482 10.349 -8.497 407 HG LEU 49 HG LEU 49 22.333 8.114 -8.557 408 HD11 LEU 49 1HD1 LEU 49 24.338 6.785 -7.963 409 HD12 LEU 49 2HD1 LEU 49 22.942 6.443 -6.942 410 HD13 LEU 49 3HD1 LEU 49 24.254 7.450 -6.332 411 HD21 LEU 49 3HD2 LEU 49 22.653 9.889 -6.224 412 HD22 LEU 49 1HD2 LEU 49 21.886 8.331 -5.912 413 HD23 LEU 49 2HD2 LEU 49 21.200 9.426 -7.113 414 H LYS 50 H LYS 50 24.219 10.881 -11.168 415 HA LYS 50 HA LYS 50 21.822 9.901 -12.287 416 HB2 LYS 50 2HB LYS 50 23.425 12.245 -12.498 417 HB3 LYS 50 3HB LYS 50 23.113 11.661 -14.127 418 HG2 LYS 50 2HG LYS 50 20.996 12.335 -14.066 419 HG3 LYS 50 3HG LYS 50 20.730 11.617 -12.475 420 HD2 LYS 50 2HD LYS 50 21.758 13.560 -11.416 421 HD3 LYS 50 3HD LYS 50 22.070 14.272 -13.001 422 HE2 LYS 50 2HE LYS 50 20.002 15.088 -13.122 423 HE3 LYS 50 3HE LYS 50 19.295 13.525 -12.718 424 HZ1 LYS 50 3HZ LYS 50 20.291 15.558 -10.798 425 HZ2 LYS 50 1HZ LYS 50 19.732 14.021 -10.365 426 HZ3 LYS 50 2HZ LYS 50 18.676 15.137 -11.072 427 H LYS 51 H LYS 51 25.174 9.850 -13.444 428 HA LYS 51 HA LYS 51 24.630 8.626 -15.929 429 HB2 LYS 51 2HB LYS 51 26.937 9.475 -14.454 430 HB3 LYS 51 3HB LYS 51 27.219 7.853 -15.072 431 HG2 LYS 51 2HG LYS 51 26.440 8.761 -17.324 432 HG3 LYS 51 3HG LYS 51 26.629 10.362 -16.604 433 HD2 LYS 51 2HD LYS 51 28.829 8.309 -16.602 434 HD3 LYS 51 3HD LYS 51 28.610 9.468 -17.915 435 HE2 LYS 51 2HE LYS 51 28.496 10.952 -15.535 436 HE3 LYS 51 3HE LYS 51 29.843 9.831 -15.344 437 HZ1 LYS 51 3HZ LYS 51 30.325 10.680 -17.790 438 HZ2 LYS 51 1HZ LYS 51 30.912 11.487 -16.423 439 HZ3 LYS 51 2HZ LYS 51 29.523 12.051 -17.206 440 H LEU 52 H LEU 52 25.098 7.363 -12.710 441 HA LEU 52 HA LEU 52 25.672 4.696 -13.306 442 HB2 LEU 52 2HB LEU 52 25.872 5.583 -11.069 443 HB3 LEU 52 3HB LEU 52 24.136 5.876 -10.997 444 HG LEU 52 HG LEU 52 24.978 3.079 -11.460 445 HD11 LEU 52 1HD1 LEU 52 25.427 4.510 -8.848 446 HD12 LEU 52 2HD1 LEU 52 26.622 3.657 -9.825 447 HD13 LEU 52 3HD1 LEU 52 25.339 2.756 -9.016 448 HD21 LEU 52 3HD2 LEU 52 22.916 4.428 -9.721 449 HD22 LEU 52 1HD2 LEU 52 23.123 2.684 -9.881 450 HD23 LEU 52 2HD2 LEU 52 22.637 3.645 -11.277 451 H ALA 53 H ALA 53 22.785 6.489 -13.719 452 HA ALA 53 HA ALA 53 20.796 4.576 -13.463 453 HB1 ALA 53 1HB ALA 53 19.414 6.031 -14.574 454 HB2 ALA 53 2HB ALA 53 20.706 7.124 -14.075 455 HB3 ALA 53 3HB ALA 53 20.660 6.507 -15.727 456 H GLU 54 H GLU 54 23.262 4.882 -15.870 457 HA GLU 54 HA GLU 54 21.973 3.257 -17.849 458 HB2 GLU 54 2HB GLU 54 23.630 4.872 -18.548 459 HB3 GLU 54 3HB GLU 54 24.847 4.127 -17.521 460 HG2 GLU 54 2HG GLU 54 23.546 2.470 -19.617 461 HG3 GLU 54 3HG GLU 54 24.758 3.657 -20.099 462 H GLU 55 H GLU 55 24.567 2.730 -15.477 463 HA GLU 55 HA GLU 55 25.082 0.049 -16.119 464 HB2 GLU 55 2HB GLU 55 26.510 0.065 -14.346 465 HB3 GLU 55 3HB GLU 55 26.270 1.801 -14.491 466 HG2 GLU 55 2HG GLU 55 25.949 1.531 -12.255 467 HG3 GLU 55 3HG GLU 55 24.293 1.350 -12.831 468 H PHE 56 H PHE 56 22.499 1.524 -14.377 469 HA PHE 56 HA PHE 56 21.099 -0.970 -14.189 470 HB2 PHE 56 2HB PHE 56 22.728 -0.568 -12.078 471 HB3 PHE 56 3HB PHE 56 21.306 0.308 -11.522 472 HD1 PHE 56 HD1 PHE 56 19.190 -1.398 -12.779 473 HD2 PHE 56 HD2 PHE 56 22.728 -2.414 -10.642 474 HE1 PHE 56 HE1 PHE 56 18.156 -3.519 -12.081 475 HE2 PHE 56 HE2 PHE 56 21.700 -4.536 -9.941 476 HZ PHE 56 HZ PHE 56 19.411 -5.092 -10.662 477 HA PRO 57 HA PRO 57 18.472 2.786 -14.733 478 HB2 PRO 57 2HB PRO 57 16.934 1.691 -16.683 479 HB3 PRO 57 3HB PRO 57 18.475 2.491 -17.011 480 HG2 PRO 57 2HG PRO 57 17.873 -0.431 -16.766 481 HG3 PRO 57 3HG PRO 57 18.893 0.406 -17.951 482 HD2 PRO 57 2HD PRO 57 19.916 -0.896 -15.808 483 HD3 PRO 57 3HD PRO 57 20.677 0.552 -16.499 484 H ASP 58 H ASP 58 17.712 -0.628 -14.366 485 HA ASP 58 HA ASP 58 14.986 -0.433 -13.788 486 HB2 ASP 58 2HB ASP 58 15.489 -2.633 -13.990 487 HB3 ASP 58 3HB ASP 58 17.118 -2.422 -13.356 488 H VAL 59 H VAL 59 17.764 0.377 -11.896 489 HA VAL 59 HA VAL 59 16.516 0.292 -9.336 490 HB VAL 59 HB VAL 59 18.961 1.814 -10.248 491 HG11 VAL 59 1HG1 VAL 59 19.522 1.935 -7.855 492 HG12 VAL 59 2HG1 VAL 59 18.036 2.807 -8.238 493 HG13 VAL 59 3HG1 VAL 59 17.956 1.223 -7.466 494 HG21 VAL 59 3HG2 VAL 59 18.657 -0.881 -10.129 495 HG22 VAL 59 1HG2 VAL 59 20.189 -0.037 -9.903 496 HG23 VAL 59 2HG2 VAL 59 19.239 -0.531 -8.502 497 H ASP 60 H ASP 60 15.613 1.923 -8.123 498 HA ASP 60 HA ASP 60 14.734 4.270 -9.645 499 HB2 ASP 60 2HB ASP 60 12.850 3.179 -8.772 500 HB3 ASP 60 3HB ASP 60 13.644 2.841 -7.236 501 H ILE 61 H ILE 61 15.088 6.344 -8.954 502 HA ILE 61 HA ILE 61 17.019 6.638 -6.752 503 HB ILE 61 HB ILE 61 16.509 8.473 -9.097 504 HG12 ILE 61 2HG1 ILE 61 19.183 7.337 -8.736 505 HG13 ILE 61 3HG1 ILE 61 17.948 6.118 -9.032 506 HG21 ILE 61 1HG2 ILE 61 18.719 9.481 -8.173 507 HG22 ILE 61 2HG2 ILE 61 17.182 9.922 -7.429 508 HG23 ILE 61 3HG2 ILE 61 18.221 8.722 -6.661 509 HD11 ILE 61 3HD1 ILE 61 18.881 6.734 -11.123 510 HD12 ILE 61 1HD1 ILE 61 17.262 7.427 -11.043 511 HD13 ILE 61 2HD1 ILE 61 18.673 8.451 -10.779 512 H TYR 62 H TYR 62 16.685 8.121 -5.140 513 HA TYR 62 HA TYR 62 14.181 9.658 -5.208 514 HB2 TYR 62 2HB TYR 62 13.884 7.558 -3.883 515 HB3 TYR 62 3HB TYR 62 15.156 8.110 -2.799 516 HD1 TYR 62 HD1 TYR 62 12.064 9.587 -4.312 517 HD2 TYR 62 HD2 TYR 62 14.389 8.956 -0.805 518 HE1 TYR 62 HE1 TYR 62 10.395 10.818 -2.991 519 HE2 TYR 62 HE2 TYR 62 12.725 10.184 0.526 520 HH TYR 62 HH TYR 62 9.666 10.854 -0.519 521 H LEU 63 H LEU 63 14.662 11.732 -5.002 522 HA LEU 63 HA LEU 63 17.113 12.517 -3.612 523 HB2 LEU 63 2HB LEU 63 15.272 13.907 -5.528 524 HB3 LEU 63 3HB LEU 63 16.455 14.806 -4.579 525 HG LEU 63 HG LEU 63 17.899 12.739 -5.788 526 HD11 LEU 63 1HD1 LEU 63 16.191 12.236 -7.349 527 HD12 LEU 63 2HD1 LEU 63 17.384 13.212 -8.205 528 HD13 LEU 63 3HD1 LEU 63 15.874 13.943 -7.659 529 HD21 LEU 63 3HD2 LEU 63 17.620 15.690 -6.193 530 HD22 LEU 63 1HD2 LEU 63 18.683 14.743 -7.233 531 HD23 LEU 63 2HD2 LEU 63 18.956 14.777 -5.491 532 H VAL 64 H VAL 64 17.148 13.897 -1.869 533 HA VAL 64 HA VAL 64 14.619 14.894 -0.804 534 HB VAL 64 HB VAL 64 16.496 13.303 0.941 535 HG11 VAL 64 1HG1 VAL 64 14.513 13.340 2.474 536 HG12 VAL 64 2HG1 VAL 64 15.264 14.912 2.198 537 HG13 VAL 64 3HG1 VAL 64 13.763 14.494 1.372 538 HG21 VAL 64 3HG2 VAL 64 13.935 12.452 -0.403 539 HG22 VAL 64 1HG2 VAL 64 15.540 11.746 -0.600 540 HG23 VAL 64 2HG2 VAL 64 14.684 11.577 0.933 541 H ASP 65 H ASP 65 14.809 16.749 0.384 542 HA ASP 65 HA ASP 65 17.534 17.839 0.652 543 HB2 ASP 65 2HB ASP 65 16.047 20.066 0.720 544 HB3 ASP 65 3HB ASP 65 16.628 19.362 -0.786 545 H THR 66 H THR 66 18.137 18.816 2.551 546 HA THR 66 HA THR 66 16.902 17.933 4.926 547 HB THR 66 HB THR 66 18.452 20.026 5.769 548 HG1 THR 66 HG1 THR 66 19.192 20.609 3.755 549 HG21 THR 66 3HG2 THR 66 19.852 17.510 5.023 550 HG22 THR 66 1HG2 THR 66 18.475 17.395 6.119 551 HG23 THR 66 2HG2 THR 66 19.861 18.399 6.546 552 H SER 67 H SER 67 16.597 20.864 3.053 553 HA SER 67 HA SER 67 15.478 22.582 4.925 554 HB2 SER 67 2HB SER 67 15.941 22.646 2.187 555 HB3 SER 67 3HB SER 67 14.189 22.799 2.318 556 HG SER 67 HG SER 67 15.675 24.766 2.484 557 H THR 68 H THR 68 14.012 19.965 3.101 558 HA THR 68 HA THR 68 11.348 20.595 4.058 559 HB THR 68 HB THR 68 10.803 18.359 2.900 560 HG1 THR 68 HG1 THR 68 12.430 17.326 2.039 561 HG21 THR 68 3HG2 THR 68 10.051 20.076 1.621 562 HG22 THR 68 1HG2 THR 68 11.386 19.583 0.580 563 HG23 THR 68 2HG2 THR 68 11.587 20.941 1.688 564 H ASN 69 H ASN 69 13.977 18.448 4.840 565 HA ASN 69 HA ASN 69 12.384 17.393 7.078 566 HB2 ASN 69 2HB ASN 69 14.053 15.342 6.722 567 HB3 ASN 69 3HB ASN 69 12.509 15.445 5.882 568 HD21 ASN 69 2HD2 ASN 69 16.003 15.592 3.867 569 HD22 ASN 69 1HD2 ASN 69 15.931 15.518 5.592 570 HA PRO 70 HA PRO 70 16.355 19.420 8.489 571 HB2 PRO 70 2HB PRO 70 15.179 21.059 10.306 572 HB3 PRO 70 3HB PRO 70 15.400 21.506 8.610 573 HG2 PRO 70 2HG PRO 70 12.961 20.453 9.989 574 HG3 PRO 70 3HG PRO 70 13.096 21.761 8.800 575 HD2 PRO 70 2HD PRO 70 12.275 19.268 8.136 576 HD3 PRO 70 3HD PRO 70 13.188 20.302 7.018 577 H GLU 71 H GLU 71 13.498 18.505 10.408 578 HA GLU 71 HA GLU 71 14.963 17.905 12.764 579 HB2 GLU 71 2HB GLU 71 12.180 17.305 11.814 580 HB3 GLU 71 3HB GLU 71 12.790 16.575 13.293 581 HG2 GLU 71 2HG GLU 71 13.217 18.795 14.216 582 HG3 GLU 71 3HG GLU 71 12.605 19.527 12.734 583 H ALA 72 H ALA 72 13.974 16.033 9.969 584 HA ALA 72 HA ALA 72 14.309 13.448 10.856 585 HB1 ALA 72 1HB ALA 72 14.425 12.802 8.639 586 HB2 ALA 72 2HB ALA 72 13.619 14.368 8.531 587 HB3 ALA 72 3HB ALA 72 15.338 14.234 8.161 588 H ARG 73 H ARG 73 16.796 15.696 9.700 589 HA ARG 73 HA ARG 73 18.989 14.028 9.649 590 HB2 ARG 73 2HB ARG 73 18.542 16.786 9.500 591 HB3 ARG 73 3HB ARG 73 19.683 16.584 10.822 592 HG2 ARG 73 2HG ARG 73 20.481 14.945 8.619 593 HG3 ARG 73 3HG ARG 73 20.213 16.600 8.068 594 HD2 ARG 73 2HD ARG 73 22.545 16.083 8.862 595 HD3 ARG 73 3HD ARG 73 21.768 17.467 9.631 596 HE ARG 73 HE ARG 73 21.459 14.983 11.060 597 HH11 ARG 73 1HH1 ARG 73 23.428 17.814 10.585 598 HH12 ARG 73 2HH1 ARG 73 24.177 17.714 12.144 599 HH21 ARG 73 2HH2 ARG 73 23.613 16.022 13.582 600 HH22 ARG 73 1HH2 ARG 73 22.437 14.841 13.115 601 H GLU 74 H GLU 74 18.162 16.153 12.398 602 HA GLU 74 HA GLU 74 19.945 14.935 14.197 603 HB2 GLU 74 2HB GLU 74 18.531 17.197 14.281 604 HB3 GLU 74 3HB GLU 74 17.460 16.192 15.247 605 HG2 GLU 74 2HG GLU 74 19.129 15.801 16.869 606 HG3 GLU 74 3HG GLU 74 20.392 16.462 15.831 607 H TRP 75 H TRP 75 16.680 14.164 13.260 608 HA TRP 75 HA TRP 75 15.829 12.600 15.377 609 HB2 TRP 75 2HB TRP 75 14.638 13.266 13.150 610 HB3 TRP 75 3HB TRP 75 15.293 11.744 12.551 611 HD1 TRP 75 HD1 TRP 75 13.498 12.654 15.884 612 HE1 TRP 75 HE1 TRP 75 11.619 10.934 16.255 613 HE3 TRP 75 HE3 TRP 75 14.090 9.874 11.634 614 HZ2 TRP 75 HZ2 TRP 75 10.532 8.696 14.923 615 HZ3 TRP 75 HZ3 TRP 75 12.591 7.960 11.258 616 HH2 TRP 75 HH2 TRP 75 10.849 7.384 12.870 617 H TYR 76 H TYR 76 18.169 11.884 12.893 618 HA TYR 76 HA TYR 76 18.628 9.262 14.155 619 HB2 TYR 76 2HB TYR 76 17.603 9.090 11.873 620 HB3 TYR 76 3HB TYR 76 19.032 9.886 11.224 621 HD1 TYR 76 HD1 TYR 76 20.111 8.272 9.941 622 HD2 TYR 76 HD2 TYR 76 18.753 7.245 13.840 623 HE1 TYR 76 HE1 TYR 76 21.240 6.095 9.754 624 HE2 TYR 76 HE2 TYR 76 19.880 5.065 13.664 625 HH TYR 76 HH TYR 76 22.085 4.336 11.120 626 H ASN 77 H ASN 77 19.829 12.232 13.905 627 HA ASN 77 HA ASN 77 21.889 13.204 14.006 628 HB2 ASN 77 2HB ASN 77 23.107 10.700 15.054 629 HB3 ASN 77 3HB ASN 77 23.221 12.348 15.665 630 HD21 ASN 77 2HD2 ASN 77 20.178 12.148 17.517 631 HD22 ASN 77 1HD2 ASN 77 21.105 13.223 16.531 632 H ILE 78 H ILE 78 22.250 13.355 11.766 633 HA ILE 78 HA ILE 78 23.921 11.251 10.579 634 HB ILE 78 HB ILE 78 22.280 13.444 9.325 635 HG12 ILE 78 2HG1 ILE 78 21.960 10.784 8.252 636 HG13 ILE 78 3HG1 ILE 78 21.749 10.763 9.999 637 HG21 ILE 78 1HG2 ILE 78 24.331 11.646 8.051 638 HG22 ILE 78 2HG2 ILE 78 23.093 12.511 7.142 639 HG23 ILE 78 3HG2 ILE 78 24.297 13.410 8.065 640 HD11 ILE 78 3HD1 ILE 78 20.353 12.952 8.665 641 HD12 ILE 78 1HD1 ILE 78 19.810 11.345 8.184 642 HD13 ILE 78 2HD1 ILE 78 19.785 11.812 9.885 643 H THR 79 H THR 79 26.015 11.589 10.218 644 HA THR 79 HA THR 79 27.093 14.272 10.700 645 HB THR 79 HB THR 79 29.327 12.940 10.644 646 HG1 THR 79 HG1 THR 79 28.940 10.723 11.335 647 HG21 THR 79 3HG2 THR 79 28.679 13.864 12.696 648 HG22 THR 79 1HG2 THR 79 28.861 12.146 13.047 649 HG23 THR 79 2HG2 THR 79 27.253 12.834 12.815 650 H SER 80 H SER 80 26.781 11.818 8.247 651 HA SER 80 HA SER 80 28.432 13.414 6.410 652 HB2 SER 80 2HB SER 80 27.806 11.072 5.077 653 HB3 SER 80 3HB SER 80 29.307 11.391 5.946 654 HG SER 80 HG SER 80 28.630 10.199 7.598 655 H VAL 81 H VAL 81 26.995 14.972 5.751 656 HA VAL 81 HA VAL 81 24.371 14.978 5.257 657 HB VAL 81 HB VAL 81 25.614 16.080 2.898 658 HG11 VAL 81 1HG1 VAL 81 24.431 17.957 3.480 659 HG12 VAL 81 2HG1 VAL 81 23.518 16.720 4.347 660 HG13 VAL 81 3HG1 VAL 81 24.690 17.719 5.207 661 HG21 VAL 81 3HG2 VAL 81 26.872 16.864 5.527 662 HG22 VAL 81 1HG2 VAL 81 27.668 15.962 4.237 663 HG23 VAL 81 2HG2 VAL 81 27.160 17.629 3.964 664 HA PRO 82 HA PRO 82 24.775 12.903 0.910 665 HB2 PRO 82 2HB PRO 82 27.171 11.795 0.278 666 HB3 PRO 82 3HB PRO 82 26.765 13.477 -0.084 667 HG2 PRO 82 2HG PRO 82 28.370 12.361 2.183 668 HG3 PRO 82 3HG PRO 82 28.692 13.787 1.181 669 HD2 PRO 82 2HD PRO 82 27.622 13.962 3.662 670 HD3 PRO 82 3HD PRO 82 27.222 15.108 2.367 671 H THR 83 H THR 83 23.549 11.558 2.520 672 HA THR 83 HA THR 83 24.875 8.998 3.093 673 HB THR 83 HB THR 83 22.278 9.057 4.240 674 HG1 THR 83 HG1 THR 83 23.819 11.397 4.780 675 HG21 THR 83 3HG2 THR 83 23.397 8.430 6.132 676 HG22 THR 83 1HG2 THR 83 24.693 9.600 5.886 677 HG23 THR 83 2HG2 THR 83 24.661 8.109 4.944 678 H PHE 84 H PHE 84 23.962 7.044 2.467 679 HA PHE 84 HA PHE 84 21.755 7.227 0.524 680 HB2 PHE 84 2HB PHE 84 24.417 5.915 0.301 681 HB3 PHE 84 3HB PHE 84 23.041 5.081 -0.414 682 HD1 PHE 84 HD1 PHE 84 24.406 8.554 -0.269 683 HD2 PHE 84 HD2 PHE 84 22.669 5.472 -2.635 684 HE1 PHE 84 HE1 PHE 84 24.576 9.991 -2.259 685 HE2 PHE 84 HE2 PHE 84 22.836 6.904 -4.629 686 HZ PHE 84 HZ PHE 84 23.792 9.166 -4.443 687 H VAL 85 H VAL 85 20.030 6.258 1.349 688 HA VAL 85 HA VAL 85 20.414 3.864 3.022 689 HB VAL 85 HB VAL 85 17.962 5.621 2.932 690 HG11 VAL 85 1HG1 VAL 85 17.154 4.399 4.726 691 HG12 VAL 85 2HG1 VAL 85 17.923 3.156 3.736 692 HG13 VAL 85 3HG1 VAL 85 18.750 3.787 5.161 693 HG21 VAL 85 3HG2 VAL 85 19.917 6.887 3.730 694 HG22 VAL 85 1HG2 VAL 85 18.731 6.619 5.007 695 HG23 VAL 85 2HG2 VAL 85 20.204 5.650 4.953 696 H ILE 86 H ILE 86 19.586 1.968 2.385 697 HA ILE 86 HA ILE 86 17.888 1.960 -0.023 698 HB ILE 86 HB ILE 86 19.273 -0.535 0.740 699 HG12 ILE 86 2HG1 ILE 86 20.767 1.847 -0.378 700 HG13 ILE 86 3HG1 ILE 86 21.038 1.093 1.189 701 HG21 ILE 86 1HG2 ILE 86 18.702 -1.033 -1.344 702 HG22 ILE 86 2HG2 ILE 86 17.975 0.564 -1.507 703 HG23 ILE 86 3HG2 ILE 86 19.661 0.313 -1.957 704 HD11 ILE 86 3HD1 ILE 86 22.711 0.121 0.015 705 HD12 ILE 86 1HD1 ILE 86 21.429 -1.041 -0.324 706 HD13 ILE 86 2HD1 ILE 86 21.835 0.196 -1.514 707 H GLU 87 H GLU 87 15.924 1.064 0.087 708 HA GLU 87 HA GLU 87 15.265 -0.528 2.478 709 HB2 GLU 87 2HB GLU 87 13.172 0.500 2.657 710 HB3 GLU 87 3HB GLU 87 14.258 1.831 2.282 711 HG2 GLU 87 2HG GLU 87 12.488 0.400 0.312 712 HG3 GLU 87 3HG GLU 87 12.172 1.978 1.030 713 H LYS 88 H LYS 88 13.183 -1.835 2.099 714 HA LYS 88 HA LYS 88 12.538 -2.647 -0.547 715 HB2 LYS 88 2HB LYS 88 14.867 -3.801 0.453 716 HB3 LYS 88 3HB LYS 88 13.631 -5.024 0.723 717 HG2 LYS 88 2HG LYS 88 13.704 -3.733 -1.942 718 HG3 LYS 88 3HG LYS 88 15.007 -4.854 -1.539 719 HD2 LYS 88 2HD LYS 88 13.540 -6.373 -2.364 720 HD3 LYS 88 3HD LYS 88 12.909 -6.307 -0.717 721 HE2 LYS 88 2HE LYS 88 10.995 -6.047 -1.987 722 HE3 LYS 88 3HE LYS 88 11.435 -4.378 -1.632 723 HZ1 LYS 88 3HZ LYS 88 12.195 -5.785 -4.131 724 HZ2 LYS 88 1HZ LYS 88 12.369 -4.137 -3.791 725 HZ3 LYS 88 2HZ LYS 88 10.826 -4.802 -3.986 726 H GLY 89 H GLY 89 10.460 -3.158 -0.408 727 HA2 GLY 89 2HA GLY 89 8.501 -4.108 0.336 728 HA3 GLY 89 3HA GLY 89 9.467 -5.106 1.413 729 H GLY 90 H GLY 90 10.165 -1.849 1.856 730 HA2 GLY 90 2HA GLY 90 9.214 -0.224 3.273 731 HA3 GLY 90 3HA GLY 90 8.037 -1.414 3.810 732 H GLU 91 H GLU 91 11.559 -1.740 3.707 733 HA GLU 91 HA GLU 91 11.864 -1.330 6.529 734 HB2 GLU 91 2HB GLU 91 11.307 -3.992 5.528 735 HB3 GLU 91 3HB GLU 91 12.881 -3.925 6.308 736 HG2 GLU 91 2HG GLU 91 11.947 -3.937 8.310 737 HG3 GLU 91 3HG GLU 91 10.959 -2.534 7.906 738 HA PRO 92 HA PRO 92 16.003 -0.519 5.321 739 HB2 PRO 92 2HB PRO 92 17.354 -1.125 7.596 740 HB3 PRO 92 3HB PRO 92 16.335 0.311 7.438 741 HG2 PRO 92 2HG PRO 92 15.709 -2.326 8.710 742 HG3 PRO 92 3HG PRO 92 15.342 -0.690 9.287 743 HD2 PRO 92 2HD PRO 92 13.499 -2.251 8.064 744 HD3 PRO 92 3HD PRO 92 13.503 -0.482 7.913 745 H LEU 93 H LEU 93 17.351 -1.638 4.069 746 HA LEU 93 HA LEU 93 17.933 -4.439 4.777 747 HB2 LEU 93 2HB LEU 93 16.476 -3.974 2.719 748 HB3 LEU 93 3HB LEU 93 17.955 -3.374 1.971 749 HG LEU 93 HG LEU 93 18.982 -5.586 2.250 750 HD11 LEU 93 1HD1 LEU 93 16.869 -5.978 4.071 751 HD12 LEU 93 2HD1 LEU 93 18.157 -7.102 3.639 752 HD13 LEU 93 3HD1 LEU 93 16.632 -7.127 2.754 753 HD21 LEU 93 3HD2 LEU 93 17.309 -4.823 0.321 754 HD22 LEU 93 1HD2 LEU 93 16.404 -6.209 0.931 755 HD23 LEU 93 2HD2 LEU 93 18.057 -6.421 0.353 756 H GLY 94 H GLY 94 19.152 -1.431 3.411 757 HA2 GLY 94 2HA GLY 94 21.826 -2.117 4.292 758 HA3 GLY 94 3HA GLY 94 21.642 -1.982 2.549 759 H GLU 95 H GLU 95 23.363 -0.350 4.029 760 HA GLU 95 HA GLU 95 22.508 2.219 3.155 761 HB2 GLU 95 2HB GLU 95 22.263 3.363 5.218 762 HB3 GLU 95 3HB GLU 95 21.249 1.931 5.332 763 HG2 GLU 95 2HG GLU 95 23.119 0.815 6.564 764 HG3 GLU 95 3HG GLU 95 23.938 2.375 6.598 765 H VAL 96 H VAL 96 24.189 3.710 3.094 766 HA VAL 96 HA VAL 96 26.781 2.829 4.163 767 HB VAL 96 HB VAL 96 26.352 3.895 1.369 768 HG11 VAL 96 1HG1 VAL 96 28.734 3.531 3.061 769 HG12 VAL 96 2HG1 VAL 96 28.874 2.935 1.406 770 HG13 VAL 96 3HG1 VAL 96 28.459 4.623 1.704 771 HG21 VAL 96 3HG2 VAL 96 25.602 1.614 1.497 772 HG22 VAL 96 1HG2 VAL 96 27.161 1.650 0.674 773 HG23 VAL 96 2HG2 VAL 96 27.065 1.136 2.358 774 H LYS 97 H LYS 97 28.231 4.472 4.690 775 HA LYS 97 HA LYS 97 27.151 7.211 4.572 776 HB2 LYS 97 2HB LYS 97 28.833 6.197 6.854 777 HB3 LYS 97 3HB LYS 97 27.853 7.656 6.784 778 HG2 LYS 97 2HG LYS 97 26.274 6.520 7.845 779 HG3 LYS 97 3HG LYS 97 26.045 5.597 6.359 780 HD2 LYS 97 2HD LYS 97 27.345 3.825 7.110 781 HD3 LYS 97 3HD LYS 97 28.177 4.817 8.311 782 HE2 LYS 97 2HE LYS 97 26.588 3.249 9.339 783 HE3 LYS 97 3HE LYS 97 26.162 4.930 9.654 784 HZ1 LYS 97 3HZ LYS 97 24.202 4.621 8.701 785 HZ2 LYS 97 1HZ LYS 97 24.551 2.971 8.557 786 HZ3 LYS 97 2HZ LYS 97 24.909 4.026 7.284 787 H GLY 98 H GLY 98 28.390 7.942 2.890 788 HA2 GLY 98 2HA GLY 98 30.701 9.184 3.096 789 HA3 GLY 98 3HA GLY 98 31.285 7.530 2.988 790 HA PRO 99 HA PRO 99 30.333 9.531 -1.257 791 HB2 PRO 99 2HB PRO 99 32.830 10.350 -1.941 792 HB3 PRO 99 3HB PRO 99 31.672 11.392 -1.106 793 HG2 PRO 99 2HG PRO 99 33.958 9.819 0.017 794 HG3 PRO 99 3HG PRO 99 33.447 11.475 0.394 795 HD2 PRO 99 2HD PRO 99 32.840 9.367 1.981 796 HD3 PRO 99 3HD PRO 99 31.767 10.770 1.806 797 H ASP 100 H ASP 100 30.005 7.427 -1.976 798 HA ASP 100 HA ASP 100 32.337 6.181 -3.208 799 HB2 ASP 100 2HB ASP 100 31.774 3.959 -2.362 800 HB3 ASP 100 3HB ASP 100 32.104 5.061 -1.028 801 H ILE 101 H ILE 101 30.709 7.515 -4.729 802 HA ILE 101 HA ILE 101 28.318 6.370 -5.581 803 HB ILE 101 HB ILE 101 30.345 8.016 -7.084 804 HG12 ILE 101 2HG1 ILE 101 29.125 9.097 -5.214 805 HG13 ILE 101 3HG1 ILE 101 28.738 9.813 -6.774 806 HG21 ILE 101 1HG2 ILE 101 29.357 7.130 -8.917 807 HG22 ILE 101 2HG2 ILE 101 27.898 6.667 -8.042 808 HG23 ILE 101 3HG2 ILE 101 28.129 8.341 -8.549 809 HD11 ILE 101 3HD1 ILE 101 27.049 7.916 -5.169 810 HD12 ILE 101 1HD1 ILE 101 26.728 9.615 -5.518 811 HD13 ILE 101 2HD1 ILE 101 26.676 8.422 -6.817 812 H ASP 102 H ASP 102 31.613 5.479 -6.248 813 HA ASP 102 HA ASP 102 30.999 3.801 -8.496 814 HB2 ASP 102 2HB ASP 102 33.324 4.881 -7.397 815 HB3 ASP 102 3HB ASP 102 33.481 3.146 -7.136 816 H LYS 103 H LYS 103 31.845 3.221 -5.091 817 HA LYS 103 HA LYS 103 31.590 0.404 -5.230 818 HB2 LYS 103 2HB LYS 103 32.759 1.872 -3.443 819 HB3 LYS 103 3HB LYS 103 31.163 1.993 -2.714 820 HG2 LYS 103 2HG LYS 103 31.150 -0.176 -2.040 821 HG3 LYS 103 3HG LYS 103 32.155 -0.717 -3.387 822 HD2 LYS 103 2HD LYS 103 33.178 0.951 -1.094 823 HD3 LYS 103 3HD LYS 103 33.262 -0.811 -1.139 824 HE2 LYS 103 2HE LYS 103 34.479 -0.545 -3.352 825 HE3 LYS 103 3HE LYS 103 34.614 1.168 -2.958 826 HZ1 LYS 103 3HZ LYS 103 36.393 -0.714 -2.240 827 HZ2 LYS 103 1HZ LYS 103 35.446 -0.608 -0.842 828 HZ3 LYS 103 2HZ LYS 103 36.204 0.773 -1.457 829 H LEU 104 H LEU 104 29.293 2.925 -5.096 830 HA LEU 104 HA LEU 104 27.177 1.792 -3.703 831 HB2 LEU 104 2HB LEU 104 27.351 4.117 -4.683 832 HB3 LEU 104 3HB LEU 104 26.879 3.405 -6.225 833 HG LEU 104 HG LEU 104 24.858 2.532 -4.674 834 HD11 LEU 104 1HD1 LEU 104 24.169 4.165 -3.107 835 HD12 LEU 104 2HD1 LEU 104 25.446 5.278 -3.596 836 HD13 LEU 104 3HD1 LEU 104 25.852 3.794 -2.733 837 HD21 LEU 104 3HD2 LEU 104 24.186 5.176 -5.491 838 HD22 LEU 104 1HD2 LEU 104 23.774 3.642 -6.258 839 HD23 LEU 104 2HD2 LEU 104 25.269 4.471 -6.692 840 H ARG 105 H ARG 105 28.217 1.281 -7.033 841 HA ARG 105 HA ARG 105 26.046 -0.138 -8.011 842 HB2 ARG 105 2HB ARG 105 28.962 -0.652 -8.624 843 HB3 ARG 105 3HB ARG 105 27.592 -1.120 -9.624 844 HG2 ARG 105 2HG ARG 105 27.134 1.092 -10.233 845 HG3 ARG 105 3HG ARG 105 28.124 1.746 -8.926 846 HD2 ARG 105 2HD ARG 105 29.960 0.282 -10.275 847 HD3 ARG 105 3HD ARG 105 28.900 0.778 -11.594 848 HE ARG 105 HE ARG 105 30.659 2.458 -10.049 849 HH11 ARG 105 1HH1 ARG 105 27.850 2.340 -12.103 850 HH12 ARG 105 2HH1 ARG 105 27.982 3.994 -12.599 851 HH21 ARG 105 2HH2 ARG 105 29.686 5.300 -11.799 852 HH22 ARG 105 1HH2 ARG 105 30.843 4.638 -10.695 853 H GLU 106 H GLU 106 28.823 -1.298 -6.147 854 HA GLU 106 HA GLU 106 27.961 -4.035 -6.211 855 HB2 GLU 106 2HB GLU 106 29.907 -2.944 -4.205 856 HB3 GLU 106 3HB GLU 106 29.875 -4.528 -4.966 857 HG2 GLU 106 2HG GLU 106 30.705 -1.916 -6.195 858 HG3 GLU 106 3HG GLU 106 31.708 -3.329 -5.872 859 H THR 107 H THR 107 27.679 -1.334 -3.984 860 HA THR 107 HA THR 107 26.756 -2.745 -1.736 861 HB THR 107 HB THR 107 25.705 -0.006 -2.283 862 HG1 THR 107 HG1 THR 107 28.417 -0.740 -2.121 863 HG21 THR 107 3HG2 THR 107 25.387 -0.060 -0.080 864 HG22 THR 107 1HG2 THR 107 27.109 -0.331 0.184 865 HG23 THR 107 2HG2 THR 107 26.025 -1.704 -0.042 866 H LEU 108 H LEU 108 25.043 -1.336 -4.489 867 HA LEU 108 HA LEU 108 22.463 -2.131 -3.442 868 HB2 LEU 108 2HB LEU 108 21.554 -0.788 -5.013 869 HB3 LEU 108 3HB LEU 108 23.170 -0.085 -4.990 870 HG LEU 108 HG LEU 108 23.559 -1.864 -6.924 871 HD11 LEU 108 1HD1 LEU 108 20.599 -1.480 -6.781 872 HD12 LEU 108 2HD1 LEU 108 21.526 -2.948 -7.089 873 HD13 LEU 108 3HD1 LEU 108 21.392 -1.711 -8.339 874 HD21 LEU 108 3HD2 LEU 108 22.850 0.927 -6.784 875 HD22 LEU 108 1HD2 LEU 108 22.271 0.202 -8.284 876 HD23 LEU 108 2HD2 LEU 108 23.981 0.106 -7.861 877 H ASP 109 H ASP 109 24.882 -3.377 -5.568 878 HA ASP 109 HA ASP 109 23.242 -5.158 -7.052 879 HB2 ASP 109 2HB ASP 109 25.246 -4.888 -8.126 880 HB3 ASP 109 3HB ASP 109 26.159 -4.784 -6.624 881 H GLU 110 H GLU 110 25.446 -5.713 -4.304 882 HA GLU 110 HA GLU 110 24.863 -8.413 -3.928 883 HB2 GLU 110 2HB GLU 110 25.626 -6.375 -1.828 884 HB3 GLU 110 3HB GLU 110 25.749 -8.120 -1.658 885 HG2 GLU 110 2HG GLU 110 27.210 -6.574 -3.778 886 HG3 GLU 110 3HG GLU 110 27.885 -6.909 -2.185 887 H LEU 111 H LEU 111 23.024 -5.600 -3.161 888 HA LEU 111 HA LEU 111 21.281 -7.025 -1.315 889 HB2 LEU 111 2HB LEU 111 21.628 -4.847 -0.600 890 HB3 LEU 111 3HB LEU 111 21.528 -4.191 -2.233 891 HG LEU 111 HG LEU 111 19.069 -5.389 -1.072 892 HD11 LEU 111 1HD1 LEU 111 20.173 -2.707 -0.254 893 HD12 LEU 111 2HD1 LEU 111 19.884 -4.093 0.796 894 HD13 LEU 111 3HD1 LEU 111 18.525 -3.261 0.042 895 HD21 LEU 111 3HD2 LEU 111 18.195 -3.255 -2.243 896 HD22 LEU 111 1HD2 LEU 111 18.754 -4.605 -3.230 897 HD23 LEU 111 2HD2 LEU 111 19.796 -3.204 -2.984 898 H LEU 112 H LEU 112 21.496 -6.342 -4.644 899 HA LEU 112 HA LEU 112 18.666 -6.464 -5.182 900 HB2 LEU 112 2HB LEU 112 20.643 -5.332 -6.525 901 HB3 LEU 112 3HB LEU 112 20.700 -6.911 -7.305 902 HG LEU 112 HG LEU 112 19.379 -5.540 -8.693 903 HD11 LEU 112 1HD1 LEU 112 17.248 -6.638 -8.697 904 HD12 LEU 112 2HD1 LEU 112 17.426 -7.091 -7.003 905 HD13 LEU 112 3HD1 LEU 112 18.480 -7.807 -8.222 906 HD21 LEU 112 3HD2 LEU 112 18.981 -3.761 -7.020 907 HD22 LEU 112 1HD2 LEU 112 17.742 -4.774 -6.279 908 HD23 LEU 112 2HD2 LEU 112 17.532 -4.190 -7.930 909 H ALA 113 H ALA 113 21.442 -8.555 -5.988 910 HA ALA 113 HA ALA 113 20.036 -10.690 -7.052 911 HB1 ALA 113 1HB ALA 113 22.599 -10.240 -6.839 912 HB2 ALA 113 2HB ALA 113 22.449 -11.212 -5.375 913 HB3 ALA 113 3HB ALA 113 21.994 -11.894 -6.936 914 H ARG 114 H ARG 114 20.526 -9.789 -3.712 915 HA ARG 114 HA ARG 114 19.949 -12.151 -2.398 916 HB2 ARG 114 2HB ARG 114 20.668 -10.098 -1.258 917 HB3 ARG 114 3HB ARG 114 19.113 -9.355 -1.608 918 HG2 ARG 114 2HG ARG 114 18.095 -11.303 -0.302 919 HG3 ARG 114 3HG ARG 114 19.735 -11.596 0.280 920 HD2 ARG 114 2HD ARG 114 19.442 -8.893 0.643 921 HD3 ARG 114 3HD ARG 114 17.828 -9.505 1.002 922 HE ARG 114 HE ARG 114 20.217 -9.888 2.558 923 HH11 ARG 114 1HH1 ARG 114 17.050 -11.125 1.812 924 HH12 ARG 114 2HH1 ARG 114 16.880 -11.966 3.317 925 HH21 ARG 114 2HH2 ARG 114 18.562 -11.888 4.871 926 HH22 ARG 114 1HH2 ARG 114 20.006 -10.990 4.544 927 H LEU 115 H LEU 115 17.621 -9.603 -3.303 928 HA LEU 115 HA LEU 115 15.367 -11.254 -2.648 929 HB2 LEU 115 2HB LEU 115 15.518 -8.705 -2.556 930 HB3 LEU 115 3HB LEU 115 15.297 -8.750 -4.304 931 HG LEU 115 HG LEU 115 13.191 -10.257 -3.440 932 HD11 LEU 115 1HD1 LEU 115 12.180 -8.706 -1.660 933 HD12 LEU 115 2HD1 LEU 115 13.845 -8.221 -1.342 934 HD13 LEU 115 3HD1 LEU 115 13.366 -9.907 -1.147 935 HD21 LEU 115 3HD2 LEU 115 12.766 -8.688 -5.074 936 HD22 LEU 115 1HD2 LEU 115 13.529 -7.381 -4.168 937 HD23 LEU 115 2HD2 LEU 115 11.943 -7.981 -3.682 938 H GLU 116 H GLU 116 16.402 -9.772 -5.728 939 HA GLU 116 HA GLU 116 14.712 -11.390 -7.316 940 HB2 GLU 116 2HB GLU 116 17.044 -9.595 -7.889 941 HB3 GLU 116 3HB GLU 116 16.384 -10.610 -9.164 942 HG2 GLU 116 2HG GLU 116 14.533 -8.897 -7.587 943 HG3 GLU 116 3HG GLU 116 15.550 -8.154 -8.820 Start of MODEL 20 1 H1 MET 1 H MET 1 1.963 5.605 -4.619 2 HA MET 1 HA MET 1 3.081 3.454 -4.530 3 HB2 MET 1 2HB MET 1 2.556 2.732 -2.277 4 HB3 MET 1 3HB MET 1 2.552 4.490 -2.348 5 HG2 MET 1 2HG MET 1 0.484 4.561 -1.578 6 HG3 MET 1 3HG MET 1 -0.078 3.518 -2.882 7 HE1 MET 1 3HE MET 1 0.882 2.954 1.331 8 HE2 MET 1 1HE MET 1 2.181 1.999 0.614 9 HE3 MET 1 2HE MET 1 1.972 3.689 0.154 10 H ALA 2 H ALA 2 2.962 1.216 -4.676 11 HA ALA 2 HA ALA 2 2.143 -0.806 -5.328 12 HB1 ALA 2 1HB ALA 2 -0.589 -0.759 -4.891 13 HB2 ALA 2 2HB ALA 2 0.646 -1.320 -3.763 14 HB3 ALA 2 3HB ALA 2 0.058 0.341 -3.674 15 H ARG 3 H ARG 3 2.302 -0.965 -7.482 16 HA ARG 3 HA ARG 3 0.045 -0.809 -9.136 17 HB2 ARG 3 2HB ARG 3 1.538 1.672 -8.837 18 HB3 ARG 3 3HB ARG 3 1.478 1.136 -10.510 19 HG2 ARG 3 2HG ARG 3 -1.112 0.799 -9.707 20 HG3 ARG 3 3HG ARG 3 -0.622 2.241 -8.816 21 HD2 ARG 3 2HD ARG 3 0.408 2.629 -11.361 22 HD3 ARG 3 3HD ARG 3 -1.171 1.899 -11.643 23 HE ARG 3 HE ARG 3 -1.346 3.990 -9.735 24 HH11 ARG 3 1HH1 ARG 3 -1.011 3.385 -13.147 25 HH12 ARG 3 2HH1 ARG 3 -1.749 4.880 -13.617 26 HH21 ARG 3 2HH2 ARG 3 -2.492 6.346 -12.021 27 HH22 ARG 3 1HH2 ARG 3 -2.319 5.962 -10.342 28 HA PRO 4 HA PRO 4 2.602 -3.236 -11.746 29 HB2 PRO 4 2HB PRO 4 1.645 -2.649 -14.218 30 HB3 PRO 4 3HB PRO 4 0.747 -3.623 -13.047 31 HG2 PRO 4 2HG PRO 4 0.453 -0.720 -13.720 32 HG3 PRO 4 3HG PRO 4 -0.806 -1.940 -13.451 33 HD2 PRO 4 2HD PRO 4 -0.085 -0.147 -11.554 34 HD3 PRO 4 3HD PRO 4 -0.642 -1.786 -11.157 35 H SER 5 H SER 5 4.457 -3.187 -12.980 36 HA SER 5 HA SER 5 5.269 -0.825 -14.406 37 HB2 SER 5 2HB SER 5 7.485 -1.153 -12.744 38 HB3 SER 5 3HB SER 5 6.334 0.182 -12.705 39 HG SER 5 HG SER 5 6.747 -1.733 -10.878 40 H ASN 6 H ASN 6 7.239 -1.131 -15.602 41 HA ASN 6 HA ASN 6 8.765 -3.494 -15.534 42 HB2 ASN 6 2HB ASN 6 6.421 -4.239 -16.435 43 HB3 ASN 6 3HB ASN 6 6.970 -3.499 -17.936 44 HD21 ASN 6 2HD2 ASN 6 9.020 -6.746 -16.506 45 HD22 ASN 6 1HD2 ASN 6 8.321 -5.604 -15.414 46 H VAL 7 H VAL 7 10.589 -2.424 -15.998 47 HA VAL 7 HA VAL 7 12.129 -1.144 -17.091 48 HB VAL 7 HB VAL 7 10.598 -1.929 -19.572 49 HG11 VAL 7 1HG1 VAL 7 12.330 -1.168 -20.777 50 HG12 VAL 7 2HG1 VAL 7 12.723 -0.237 -19.330 51 HG13 VAL 7 3HG1 VAL 7 13.522 -1.781 -19.630 52 HG21 VAL 7 3HG2 VAL 7 12.722 -3.666 -19.328 53 HG22 VAL 7 1HG2 VAL 7 12.111 -3.540 -17.679 54 HG23 VAL 7 2HG2 VAL 7 11.034 -4.040 -18.982 55 H LYS 8 H LYS 8 10.846 0.668 -16.007 56 HA LYS 8 HA LYS 8 10.498 2.761 -17.941 57 HB2 LYS 8 2HB LYS 8 8.247 1.488 -17.748 58 HB3 LYS 8 3HB LYS 8 8.119 2.262 -16.174 59 HG2 LYS 8 2HG LYS 8 8.265 4.455 -17.232 60 HG3 LYS 8 3HG LYS 8 8.407 3.684 -18.814 61 HD2 LYS 8 2HD LYS 8 6.102 2.779 -17.255 62 HD3 LYS 8 3HD LYS 8 6.066 4.499 -17.650 63 HE2 LYS 8 2HE LYS 8 6.894 2.936 -19.927 64 HE3 LYS 8 3HE LYS 8 5.350 2.359 -19.301 65 HZ1 LYS 8 3HZ LYS 8 4.971 5.002 -19.271 66 HZ2 LYS 8 1HZ LYS 8 4.539 4.004 -20.568 67 HZ3 LYS 8 2HZ LYS 8 5.997 4.861 -20.609 68 HA PRO 9 HA PRO 9 12.108 3.959 -13.741 69 HB2 PRO 9 2HB PRO 9 14.335 5.194 -14.682 70 HB3 PRO 9 3HB PRO 9 14.274 3.463 -14.329 71 HG2 PRO 9 2HG PRO 9 14.021 4.870 -16.959 72 HG3 PRO 9 3HG PRO 9 14.926 3.399 -16.560 73 HD2 PRO 9 2HD PRO 9 12.506 3.336 -17.772 74 HD3 PRO 9 3HD PRO 9 13.049 2.066 -16.657 75 H SER 10 H SER 10 12.512 6.143 -12.926 76 HA SER 10 HA SER 10 12.172 8.458 -14.497 77 HB2 SER 10 2HB SER 10 9.726 7.119 -13.638 78 HB3 SER 10 3HB SER 10 9.818 8.783 -13.062 79 HG SER 10 HG SER 10 8.866 8.571 -15.166 80 HA PRO 11 HA PRO 11 13.618 10.380 -10.829 81 HB2 PRO 11 2HB PRO 11 12.497 12.848 -10.978 82 HB3 PRO 11 3HB PRO 11 13.812 12.325 -12.037 83 HG2 PRO 11 2HG PRO 11 10.871 12.434 -12.582 84 HG3 PRO 11 3HG PRO 11 12.221 12.913 -13.627 85 HD2 PRO 11 2HD PRO 11 10.924 10.554 -13.913 86 HD3 PRO 11 3HD PRO 11 12.650 10.744 -14.279 87 H HIS 12 H HIS 12 13.018 11.273 -8.753 88 HA HIS 12 HA HIS 12 10.188 11.130 -8.045 89 HB2 HIS 12 2HB HIS 12 11.432 8.881 -7.664 90 HB3 HIS 12 3HB HIS 12 12.185 9.711 -6.305 91 HD1 HIS 12 HD1 HIS 12 9.960 7.288 -6.392 92 HD2 HIS 12 HD2 HIS 12 9.456 11.238 -5.206 93 HE1 HIS 12 HE1 HIS 12 7.964 7.282 -4.862 94 H VAL 13 H VAL 13 9.943 13.187 -7.395 95 HA VAL 13 HA VAL 13 11.852 14.237 -5.408 96 HB VAL 13 HB VAL 13 11.777 15.504 -7.550 97 HG11 VAL 13 1HG1 VAL 13 8.966 16.201 -6.707 98 HG12 VAL 13 2HG1 VAL 13 9.831 16.825 -8.114 99 HG13 VAL 13 3HG1 VAL 13 9.388 15.119 -8.034 100 HG21 VAL 13 3HG2 VAL 13 12.121 16.458 -5.119 101 HG22 VAL 13 1HG2 VAL 13 12.037 17.532 -6.515 102 HG23 VAL 13 2HG2 VAL 13 10.622 17.313 -5.485 103 H ILE 14 H ILE 14 11.079 15.172 -3.545 104 HA ILE 14 HA ILE 14 8.183 14.885 -3.068 105 HB ILE 14 HB ILE 14 8.719 14.511 -0.688 106 HG12 ILE 14 2HG1 ILE 14 11.375 13.689 -0.721 107 HG13 ILE 14 3HG1 ILE 14 11.388 15.195 -1.631 108 HG21 ILE 14 1HG2 ILE 14 8.943 12.274 -0.968 109 HG22 ILE 14 2HG2 ILE 14 8.686 12.706 -2.657 110 HG23 ILE 14 3HG2 ILE 14 10.322 12.436 -2.055 111 HD11 ILE 14 3HD1 ILE 14 11.731 15.975 0.480 112 HD12 ILE 14 1HD1 ILE 14 9.971 16.055 0.401 113 HD13 ILE 14 2HD1 ILE 14 10.757 14.709 1.227 114 H LYS 15 H LYS 15 7.610 16.224 -0.965 115 HA LYS 15 HA LYS 15 9.014 18.680 -0.593 116 HB2 LYS 15 2HB LYS 15 7.592 18.775 -2.851 117 HB3 LYS 15 3HB LYS 15 6.303 19.170 -1.722 118 HG2 LYS 15 2HG LYS 15 7.224 21.179 -1.154 119 HG3 LYS 15 3HG LYS 15 8.871 20.648 -1.499 120 HD2 LYS 15 2HD LYS 15 7.045 20.733 -3.811 121 HD3 LYS 15 3HD LYS 15 7.448 22.297 -3.097 122 HE2 LYS 15 2HE LYS 15 9.843 20.809 -3.257 123 HE3 LYS 15 3HE LYS 15 9.023 20.636 -4.808 124 HZ1 LYS 15 3HZ LYS 15 10.042 22.578 -5.230 125 HZ2 LYS 15 1HZ LYS 15 10.217 22.986 -3.597 126 HZ3 LYS 15 2HZ LYS 15 8.741 23.247 -4.380 127 H SER 16 H SER 16 7.830 16.470 0.933 128 HA SER 16 HA SER 16 6.687 18.003 3.039 129 HB2 SER 16 2HB SER 16 4.874 16.767 1.126 130 HB3 SER 16 3HB SER 16 4.606 16.171 2.765 131 HG SER 16 HG SER 16 4.574 18.454 3.385 132 H LEU 17 H LEU 17 6.169 16.664 4.935 133 HA LEU 17 HA LEU 17 8.127 14.646 5.318 134 HB2 LEU 17 2HB LEU 17 6.801 16.289 6.972 135 HB3 LEU 17 3HB LEU 17 5.852 14.822 7.200 136 HG LEU 17 HG LEU 17 7.922 13.632 7.854 137 HD11 LEU 17 1HD1 LEU 17 9.970 14.534 7.767 138 HD12 LEU 17 2HD1 LEU 17 9.412 16.110 8.326 139 HD13 LEU 17 3HD1 LEU 17 9.243 15.666 6.627 140 HD21 LEU 17 3HD2 LEU 17 8.150 14.702 10.049 141 HD22 LEU 17 1HD2 LEU 17 6.462 14.565 9.557 142 HD23 LEU 17 2HD2 LEU 17 7.291 16.118 9.442 143 H GLU 18 H GLU 18 4.563 14.502 5.295 144 HA GLU 18 HA GLU 18 4.247 11.776 5.596 145 HB2 GLU 18 2HB GLU 18 2.511 13.753 5.354 146 HB3 GLU 18 3HB GLU 18 2.471 13.223 3.678 147 HG2 GLU 18 2HG GLU 18 2.219 10.869 5.065 148 HG3 GLU 18 3HG GLU 18 1.310 12.011 6.053 149 H GLU 19 H GLU 19 4.625 13.603 2.569 150 HA GLU 19 HA GLU 19 4.369 11.563 0.740 151 HB2 GLU 19 2HB GLU 19 4.822 14.103 0.404 152 HB3 GLU 19 3HB GLU 19 6.516 13.633 0.404 153 HG2 GLU 19 2HG GLU 19 6.371 12.567 -1.598 154 HG3 GLU 19 3HG GLU 19 4.674 12.144 -1.377 155 H LEU 20 H LEU 20 7.136 12.367 2.752 156 HA LEU 20 HA LEU 20 8.980 10.622 1.488 157 HB2 LEU 20 2HB LEU 20 9.226 12.588 3.289 158 HB3 LEU 20 3HB LEU 20 9.279 11.200 4.374 159 HG LEU 20 HG LEU 20 11.141 10.334 2.804 160 HD11 LEU 20 1HD1 LEU 20 10.488 12.685 1.451 161 HD12 LEU 20 2HD1 LEU 20 11.868 11.628 1.155 162 HD13 LEU 20 3HD1 LEU 20 12.033 13.011 2.237 163 HD21 LEU 20 3HD2 LEU 20 11.389 11.162 5.152 164 HD22 LEU 20 1HD2 LEU 20 11.729 12.761 4.490 165 HD23 LEU 20 2HD2 LEU 20 12.806 11.411 4.131 166 H ARG 21 H ARG 21 7.464 10.305 4.705 167 HA ARG 21 HA ARG 21 8.147 7.666 5.167 168 HB2 ARG 21 2HB ARG 21 6.978 9.432 6.693 169 HB3 ARG 21 3HB ARG 21 5.492 8.728 6.069 170 HG2 ARG 21 2HG ARG 21 5.829 6.724 7.133 171 HG3 ARG 21 3HG ARG 21 7.581 6.930 7.196 172 HD2 ARG 21 2HD ARG 21 5.628 8.589 8.782 173 HD3 ARG 21 3HD ARG 21 6.420 7.141 9.402 174 HE ARG 21 HE ARG 21 8.334 8.970 8.401 175 HH11 ARG 21 1HH1 ARG 21 6.187 8.440 11.090 176 HH12 ARG 21 2HH1 ARG 21 7.160 9.333 12.211 177 HH21 ARG 21 2HH2 ARG 21 9.114 10.306 11.515 178 HH22 ARG 21 1HH2 ARG 21 9.624 10.149 9.868 179 H GLU 22 H GLU 22 5.638 8.978 3.147 180 HA GLU 22 HA GLU 22 4.225 6.484 2.860 181 HB2 GLU 22 2HB GLU 22 4.015 9.176 1.533 182 HB3 GLU 22 3HB GLU 22 3.102 7.794 0.944 183 HG2 GLU 22 2HG GLU 22 2.902 8.310 3.832 184 HG3 GLU 22 3HG GLU 22 2.194 9.536 2.781 185 H ALA 23 H ALA 23 6.732 8.225 1.159 186 HA ALA 23 HA ALA 23 6.623 6.641 -1.222 187 HB1 ALA 23 1HB ALA 23 7.701 8.493 -1.855 188 HB2 ALA 23 2HB ALA 23 8.213 8.867 -0.209 189 HB3 ALA 23 3HB ALA 23 9.140 7.726 -1.182 190 H THR 24 H THR 24 8.092 6.301 1.882 191 HA THR 24 HA THR 24 10.155 4.481 1.122 192 HB THR 24 HB THR 24 9.546 3.956 3.798 193 HG1 THR 24 HG1 THR 24 8.355 5.638 4.327 194 HG21 THR 24 3HG2 THR 24 11.507 5.808 2.460 195 HG22 THR 24 1HG2 THR 24 11.788 4.178 3.070 196 HG23 THR 24 2HG2 THR 24 11.518 5.507 4.198 197 H ALA 25 H ALA 25 6.791 4.185 1.502 198 HA ALA 25 HA ALA 25 6.873 1.336 2.100 199 HB1 ALA 25 1HB ALA 25 5.171 2.731 3.178 200 HB2 ALA 25 2HB ALA 25 4.506 3.135 1.595 201 HB3 ALA 25 3HB ALA 25 4.446 1.472 2.178 202 H SER 26 H SER 26 7.660 2.843 -0.532 203 HA SER 26 HA SER 26 5.956 2.068 -2.589 204 HB2 SER 26 2HB SER 26 8.091 2.097 -4.004 205 HB3 SER 26 3HB SER 26 7.697 3.580 -3.135 206 HG SER 26 HG SER 26 9.878 2.013 -2.923 207 H ASN 27 H ASN 27 6.861 0.455 -4.370 208 HA ASN 27 HA ASN 27 7.296 -2.118 -3.002 209 HB2 ASN 27 2HB ASN 27 6.033 -3.192 -4.760 210 HB3 ASN 27 3HB ASN 27 5.077 -1.861 -4.116 211 HD21 ASN 27 2HD2 ASN 27 5.295 0.111 -7.044 212 HD22 ASN 27 1HD2 ASN 27 5.173 0.183 -5.322 213 H ARG 28 H ARG 28 9.521 -0.661 -3.563 214 HA ARG 28 HA ARG 28 10.983 -2.426 -5.244 215 HB2 ARG 28 2HB ARG 28 11.577 -0.992 -7.041 216 HB3 ARG 28 3HB ARG 28 9.824 -0.929 -6.919 217 HG2 ARG 28 2HG ARG 28 9.966 1.201 -5.753 218 HG3 ARG 28 3HG ARG 28 11.728 1.134 -5.829 219 HD2 ARG 28 2HD ARG 28 10.861 2.578 -7.577 220 HD3 ARG 28 3HD ARG 28 11.610 1.145 -8.280 221 HE ARG 28 HE ARG 28 8.828 0.747 -7.922 222 HH11 ARG 28 1HH1 ARG 28 11.134 2.398 -9.942 223 HH12 ARG 28 2HH1 ARG 28 10.102 2.412 -11.333 224 HH21 ARG 28 2HH2 ARG 28 8.011 1.482 -11.221 225 HH22 ARG 28 1HH2 ARG 28 7.459 0.760 -9.747 226 H ILE 29 H ILE 29 13.202 -0.963 -5.827 227 HA ILE 29 HA ILE 29 14.170 -0.275 -3.148 228 HB ILE 29 HB ILE 29 15.837 -0.723 -5.620 229 HG12 ILE 29 2HG1 ILE 29 14.537 -2.741 -5.188 230 HG13 ILE 29 3HG1 ILE 29 16.222 -3.006 -4.756 231 HG21 ILE 29 1HG2 ILE 29 16.471 -0.673 -2.676 232 HG22 ILE 29 2HG2 ILE 29 17.598 -1.207 -3.922 233 HG23 ILE 29 3HG2 ILE 29 17.021 0.459 -3.911 234 HD11 ILE 29 3HD1 ILE 29 14.961 -3.993 -3.048 235 HD12 ILE 29 1HD1 ILE 29 15.543 -2.470 -2.377 236 HD13 ILE 29 2HD1 ILE 29 13.876 -2.608 -2.935 237 H SER 30 H SER 30 14.034 1.820 -2.681 238 HA SER 30 HA SER 30 14.607 3.782 -4.798 239 HB2 SER 30 2HB SER 30 13.314 4.454 -2.166 240 HB3 SER 30 3HB SER 30 13.219 5.323 -3.697 241 HG SER 30 HG SER 30 12.093 3.374 -4.481 242 H VAL 31 H VAL 31 16.406 4.952 -4.688 243 HA VAL 31 HA VAL 31 18.174 4.632 -2.414 244 HB VAL 31 HB VAL 31 18.569 6.145 -4.999 245 HG11 VAL 31 1HG1 VAL 31 20.154 5.965 -2.548 246 HG12 VAL 31 2HG1 VAL 31 21.054 5.577 -4.015 247 HG13 VAL 31 3HG1 VAL 31 20.233 7.131 -3.869 248 HG21 VAL 31 3HG2 VAL 31 19.981 4.260 -5.642 249 HG22 VAL 31 1HG2 VAL 31 19.600 3.449 -4.123 250 HG23 VAL 31 2HG2 VAL 31 18.331 3.730 -5.315 251 H ILE 32 H ILE 32 17.381 5.812 -0.721 252 HA ILE 32 HA ILE 32 16.462 8.515 -1.037 253 HB ILE 32 HB ILE 32 17.139 7.031 1.506 254 HG12 ILE 32 2HG1 ILE 32 14.323 7.401 0.986 255 HG13 ILE 32 3HG1 ILE 32 15.081 6.539 -0.348 256 HG21 ILE 32 1HG2 ILE 32 15.419 9.471 1.081 257 HG22 ILE 32 2HG2 ILE 32 15.772 8.686 2.620 258 HG23 ILE 32 3HG2 ILE 32 17.062 9.487 1.722 259 HD11 ILE 32 3HD1 ILE 32 15.827 5.585 2.321 260 HD12 ILE 32 1HD1 ILE 32 14.130 5.374 1.894 261 HD13 ILE 32 2HD1 ILE 32 15.389 4.686 0.868 262 H VAL 33 H VAL 33 17.782 10.172 -1.346 263 HA VAL 33 HA VAL 33 20.352 10.214 0.095 264 HB VAL 33 HB VAL 33 19.954 11.448 -2.625 265 HG11 VAL 33 1HG1 VAL 33 21.767 12.345 -1.229 266 HG12 VAL 33 2HG1 VAL 33 22.449 10.723 -1.091 267 HG13 VAL 33 3HG1 VAL 33 22.380 11.521 -2.663 268 HG21 VAL 33 3HG2 VAL 33 21.194 9.515 -3.533 269 HG22 VAL 33 1HG2 VAL 33 21.089 8.735 -1.955 270 HG23 VAL 33 2HG2 VAL 33 19.621 9.063 -2.876 271 H PHE 34 H PHE 34 20.492 11.857 1.459 272 HA PHE 34 HA PHE 34 18.633 14.084 1.236 273 HB2 PHE 34 2HB PHE 34 20.639 14.019 3.420 274 HB3 PHE 34 3HB PHE 34 18.922 14.403 3.478 275 HD1 PHE 34 HD1 PHE 34 21.327 12.097 4.452 276 HD2 PHE 34 HD2 PHE 34 17.358 12.310 2.930 277 HE1 PHE 34 HE1 PHE 34 20.864 9.856 5.356 278 HE2 PHE 34 HE2 PHE 34 16.888 10.070 3.832 279 HZ PHE 34 HZ PHE 34 18.642 8.840 5.048 280 H THR 35 H THR 35 19.189 15.786 0.062 281 HA THR 35 HA THR 35 21.813 16.988 0.420 282 HB THR 35 HB THR 35 21.746 17.276 -2.238 283 HG1 THR 35 HG1 THR 35 21.213 15.020 -2.983 284 HG21 THR 35 3HG2 THR 35 22.828 14.734 -1.043 285 HG22 THR 35 1HG2 THR 35 23.549 16.310 -0.721 286 HG23 THR 35 2HG2 THR 35 23.490 15.687 -2.370 287 H HIS 36 H HIS 36 21.741 19.164 0.336 288 HA HIS 36 HA HIS 36 19.272 20.505 0.330 289 HB2 HIS 36 2HB HIS 36 22.048 21.645 -0.052 290 HB3 HIS 36 3HB HIS 36 20.610 22.574 0.361 291 HD1 HIS 36 HD1 HIS 36 20.369 23.024 2.773 292 HD2 HIS 36 HD2 HIS 36 22.546 19.557 2.066 293 HE1 HIS 36 HE1 HIS 36 21.076 22.200 5.041 294 HA PRO 37 HA PRO 37 18.424 21.309 -3.900 295 HB2 PRO 37 2HB PRO 37 17.221 23.738 -3.738 296 HB3 PRO 37 3HB PRO 37 16.445 22.244 -3.200 297 HG2 PRO 37 2HG PRO 37 17.853 24.336 -1.586 298 HG3 PRO 37 3HG PRO 37 16.335 23.489 -1.238 299 HD2 PRO 37 2HD PRO 37 18.686 22.794 -0.089 300 HD3 PRO 37 3HD PRO 37 17.416 21.609 -0.456 301 H ASP 38 H ASP 38 20.419 23.456 -2.073 302 HA ASP 38 HA ASP 38 21.616 24.435 -4.574 303 HB2 ASP 38 2HB ASP 38 20.200 26.202 -3.506 304 HB3 ASP 38 3HB ASP 38 21.245 26.119 -2.090 305 H SER 39 H SER 39 22.533 22.223 -3.202 306 HA SER 39 HA SER 39 24.760 23.093 -1.536 307 HB2 SER 39 2HB SER 39 23.915 21.180 -0.576 308 HB3 SER 39 3HB SER 39 23.440 20.483 -2.125 309 HG SER 39 HG SER 39 25.422 19.677 -0.847 310 H LYS 40 H LYS 40 26.410 23.906 -2.676 311 HA LYS 40 HA LYS 40 27.093 23.112 -5.309 312 HB2 LYS 40 2HB LYS 40 27.625 25.326 -4.175 313 HB3 LYS 40 3HB LYS 40 28.929 24.484 -3.347 314 HG2 LYS 40 2HG LYS 40 28.954 24.067 -6.228 315 HG3 LYS 40 3HG LYS 40 29.113 25.763 -5.766 316 HD2 LYS 40 2HD LYS 40 30.740 23.874 -4.201 317 HD3 LYS 40 3HD LYS 40 31.180 24.015 -5.905 318 HE2 LYS 40 2HE LYS 40 30.916 26.609 -5.314 319 HE3 LYS 40 3HE LYS 40 31.357 26.004 -3.717 320 HZ1 LYS 40 3HZ LYS 40 33.039 24.871 -5.687 321 HZ2 LYS 40 1HZ LYS 40 33.455 25.830 -4.356 322 HZ3 LYS 40 2HZ LYS 40 33.054 26.556 -5.830 323 H ARG 41 H ARG 41 28.665 22.493 -2.172 324 HA ARG 41 HA ARG 41 30.766 20.927 -3.034 325 HB2 ARG 41 2HB ARG 41 29.180 21.029 -0.502 326 HB3 ARG 41 3HB ARG 41 30.351 19.736 -0.719 327 HG2 ARG 41 2HG ARG 41 31.115 22.605 -1.116 328 HG3 ARG 41 3HG ARG 41 31.098 21.866 0.487 329 HD2 ARG 41 2HD ARG 41 32.499 20.000 -0.758 330 HD3 ARG 41 3HD ARG 41 32.879 21.343 -1.835 331 HE ARG 41 HE ARG 41 33.294 22.234 0.761 332 HH11 ARG 41 1HH1 ARG 41 34.589 19.824 -1.393 333 HH12 ARG 41 2HH1 ARG 41 36.173 19.861 -0.692 334 HH21 ARG 41 2HH2 ARG 41 36.619 21.265 1.063 335 HH22 ARG 41 1HH2 ARG 41 35.376 22.292 1.692 336 H SER 42 H SER 42 27.403 20.038 -2.533 337 HA SER 42 HA SER 42 28.019 17.329 -3.513 338 HB2 SER 42 2HB SER 42 25.388 17.827 -2.248 339 HB3 SER 42 3HB SER 42 26.473 16.446 -2.091 340 HG SER 42 HG SER 42 26.987 17.302 -0.249 341 H LYS 43 H LYS 43 27.841 19.323 -5.381 342 HA LYS 43 HA LYS 43 25.189 18.893 -6.593 343 HB2 LYS 43 2HB LYS 43 26.661 21.289 -6.150 344 HB3 LYS 43 3HB LYS 43 26.590 21.017 -7.886 345 HG2 LYS 43 2HG LYS 43 24.257 21.104 -7.924 346 HG3 LYS 43 3HG LYS 43 24.132 20.867 -6.179 347 HD2 LYS 43 2HD LYS 43 24.526 23.053 -5.719 348 HD3 LYS 43 3HD LYS 43 25.631 23.251 -7.081 349 HE2 LYS 43 2HE LYS 43 23.900 23.613 -8.590 350 HE3 LYS 43 3HE LYS 43 22.700 22.853 -7.545 351 HZ1 LYS 43 3HZ LYS 43 23.916 25.536 -7.289 352 HZ2 LYS 43 1HZ LYS 43 23.141 24.786 -5.985 353 HZ3 LYS 43 2HZ LYS 43 22.277 25.128 -7.398 354 H GLU 44 H GLU 44 28.606 18.551 -6.956 355 HA GLU 44 HA GLU 44 28.497 18.034 -9.798 356 HB2 GLU 44 2HB GLU 44 30.795 17.486 -7.920 357 HB3 GLU 44 3HB GLU 44 30.862 17.684 -9.666 358 HG2 GLU 44 2HG GLU 44 29.774 20.049 -8.916 359 HG3 GLU 44 3HG GLU 44 30.812 19.695 -7.537 360 H ILE 45 H ILE 45 29.500 16.084 -6.981 361 HA ILE 45 HA ILE 45 29.416 13.628 -8.396 362 HB ILE 45 HB ILE 45 29.575 12.562 -6.169 363 HG12 ILE 45 2HG1 ILE 45 30.018 14.356 -4.287 364 HG13 ILE 45 3HG1 ILE 45 28.982 15.362 -5.294 365 HG21 ILE 45 1HG2 ILE 45 31.767 12.915 -6.272 366 HG22 ILE 45 2HG2 ILE 45 31.442 14.174 -7.463 367 HG23 ILE 45 3HG2 ILE 45 31.580 14.591 -5.755 368 HD11 ILE 45 3HD1 ILE 45 28.156 13.614 -3.348 369 HD12 ILE 45 1HD1 ILE 45 27.148 14.311 -4.616 370 HD13 ILE 45 2HD1 ILE 45 27.874 12.719 -4.841 371 H LYS 46 H LYS 46 26.975 15.586 -7.109 372 HA LYS 46 HA LYS 46 25.092 13.639 -6.303 373 HB2 LYS 46 2HB LYS 46 23.883 15.438 -5.753 374 HB3 LYS 46 3HB LYS 46 25.215 16.419 -6.352 375 HG2 LYS 46 2HG LYS 46 24.156 16.411 -8.589 376 HG3 LYS 46 3HG LYS 46 22.785 15.540 -7.897 377 HD2 LYS 46 2HD LYS 46 21.917 17.412 -7.041 378 HD3 LYS 46 3HD LYS 46 23.467 17.904 -6.357 379 HE2 LYS 46 2HE LYS 46 24.067 19.097 -8.236 380 HE3 LYS 46 3HE LYS 46 23.022 18.154 -9.297 381 HZ1 LYS 46 3HZ LYS 46 21.825 20.065 -9.152 382 HZ2 LYS 46 1HZ LYS 46 22.367 20.441 -7.594 383 HZ3 LYS 46 2HZ LYS 46 21.176 19.260 -7.813 384 H GLU 47 H GLU 47 25.918 15.026 -9.413 385 HA GLU 47 HA GLU 47 23.643 13.969 -10.790 386 HB2 GLU 47 2HB GLU 47 25.081 15.965 -11.488 387 HB3 GLU 47 3HB GLU 47 26.252 14.785 -12.057 388 HG2 GLU 47 2HG GLU 47 24.479 13.824 -13.513 389 HG3 GLU 47 3HG GLU 47 23.431 15.155 -13.028 390 H LYS 48 H LYS 48 26.807 12.806 -9.963 391 HA LYS 48 HA LYS 48 27.247 10.829 -11.835 392 HB2 LYS 48 2HB LYS 48 27.816 10.763 -8.866 393 HB3 LYS 48 3HB LYS 48 28.489 9.633 -10.034 394 HG2 LYS 48 2HG LYS 48 29.635 11.451 -11.165 395 HG3 LYS 48 3HG LYS 48 28.923 12.614 -10.046 396 HD2 LYS 48 2HD LYS 48 30.897 12.319 -8.971 397 HD3 LYS 48 3HD LYS 48 30.040 10.940 -8.278 398 HE2 LYS 48 2HE LYS 48 31.007 9.836 -10.547 399 HE3 LYS 48 3HE LYS 48 32.266 11.023 -10.209 400 HZ1 LYS 48 3HZ LYS 48 32.223 8.587 -9.150 401 HZ2 LYS 48 1HZ LYS 48 31.385 9.430 -7.946 402 HZ3 LYS 48 2HZ LYS 48 32.944 9.914 -8.389 403 H LEU 49 H LEU 49 25.091 10.796 -9.056 404 HA LEU 49 HA LEU 49 24.445 8.026 -9.226 405 HB2 LEU 49 2HB LEU 49 24.178 9.505 -7.208 406 HB3 LEU 49 3HB LEU 49 22.775 10.214 -8.006 407 HG LEU 49 HG LEU 49 21.705 7.975 -8.006 408 HD11 LEU 49 1HD1 LEU 49 23.602 6.530 -7.950 409 HD12 LEU 49 2HD1 LEU 49 22.682 6.269 -6.468 410 HD13 LEU 49 3HD1 LEU 49 24.161 7.230 -6.430 411 HD21 LEU 49 3HD2 LEU 49 21.072 9.476 -6.277 412 HD22 LEU 49 1HD2 LEU 49 22.557 9.169 -5.376 413 HD23 LEU 49 2HD2 LEU 49 21.335 7.905 -5.519 414 H LYS 50 H LYS 50 23.148 10.954 -10.644 415 HA LYS 50 HA LYS 50 20.698 9.916 -11.564 416 HB2 LYS 50 2HB LYS 50 22.205 12.344 -11.844 417 HB3 LYS 50 3HB LYS 50 21.604 11.849 -13.421 418 HG2 LYS 50 2HG LYS 50 19.741 11.864 -11.096 419 HG3 LYS 50 3HG LYS 50 20.175 13.388 -11.874 420 HD2 LYS 50 2HD LYS 50 19.597 11.982 -14.058 421 HD3 LYS 50 3HD LYS 50 18.587 11.102 -12.909 422 HE2 LYS 50 2HE LYS 50 17.057 12.705 -13.034 423 HE3 LYS 50 3HE LYS 50 18.231 13.871 -12.426 424 HZ1 LYS 50 3HZ LYS 50 18.014 13.115 -15.285 425 HZ2 LYS 50 1HZ LYS 50 18.909 14.388 -14.623 426 HZ3 LYS 50 2HZ LYS 50 17.219 14.447 -14.610 427 H LYS 51 H LYS 51 23.922 9.998 -13.000 428 HA LYS 51 HA LYS 51 23.145 8.957 -15.527 429 HB2 LYS 51 2HB LYS 51 25.735 9.348 -14.090 430 HB3 LYS 51 3HB LYS 51 25.707 8.309 -15.509 431 HG2 LYS 51 2HG LYS 51 24.924 10.105 -16.886 432 HG3 LYS 51 3HG LYS 51 24.718 11.152 -15.480 433 HD2 LYS 51 2HD LYS 51 27.389 10.191 -15.469 434 HD3 LYS 51 3HD LYS 51 27.030 10.774 -17.096 435 HE2 LYS 51 2HE LYS 51 26.716 12.931 -16.400 436 HE3 LYS 51 3HE LYS 51 26.195 12.450 -14.787 437 HZ1 LYS 51 3HZ LYS 51 28.480 11.898 -14.246 438 HZ2 LYS 51 1HZ LYS 51 28.366 13.511 -14.745 439 HZ3 LYS 51 2HZ LYS 51 28.985 12.341 -15.799 440 H LEU 52 H LEU 52 24.286 7.494 -12.528 441 HA LEU 52 HA LEU 52 24.794 4.914 -13.359 442 HB2 LEU 52 2HB LEU 52 25.191 5.767 -11.088 443 HB3 LEU 52 3HB LEU 52 23.454 5.759 -10.793 444 HG LEU 52 HG LEU 52 24.833 3.215 -11.538 445 HD11 LEU 52 1HD1 LEU 52 24.865 4.532 -8.833 446 HD12 LEU 52 2HD1 LEU 52 26.241 3.978 -9.786 447 HD13 LEU 52 3HD1 LEU 52 25.129 2.806 -9.081 448 HD21 LEU 52 3HD2 LEU 52 22.274 4.083 -10.377 449 HD22 LEU 52 1HD2 LEU 52 22.999 2.657 -9.633 450 HD23 LEU 52 2HD2 LEU 52 22.657 2.671 -11.363 451 H ALA 53 H ALA 53 21.732 6.524 -12.937 452 HA ALA 53 HA ALA 53 19.970 4.410 -12.732 453 HB1 ALA 53 1HB ALA 53 19.201 6.611 -14.560 454 HB2 ALA 53 2HB ALA 53 18.327 5.908 -13.198 455 HB3 ALA 53 3HB ALA 53 19.644 7.045 -12.909 456 H GLU 54 H GLU 54 21.855 5.427 -15.467 457 HA GLU 54 HA GLU 54 20.341 4.019 -17.441 458 HB2 GLU 54 2HB GLU 54 21.703 5.886 -18.126 459 HB3 GLU 54 3HB GLU 54 23.148 5.133 -17.465 460 HG2 GLU 54 2HG GLU 54 21.640 3.664 -19.556 461 HG3 GLU 54 3HG GLU 54 22.592 5.066 -20.040 462 H GLU 55 H GLU 55 23.355 3.358 -15.686 463 HA GLU 55 HA GLU 55 23.951 0.908 -16.911 464 HB2 GLU 55 2HB GLU 55 25.649 0.737 -15.396 465 HB3 GLU 55 3HB GLU 55 25.282 2.445 -15.196 466 HG2 GLU 55 2HG GLU 55 25.358 1.786 -13.019 467 HG3 GLU 55 3HG GLU 55 23.643 1.555 -13.354 468 H PHE 56 H PHE 56 21.631 1.754 -14.494 469 HA PHE 56 HA PHE 56 20.475 -0.873 -14.594 470 HB2 PHE 56 2HB PHE 56 22.351 -0.956 -12.831 471 HB3 PHE 56 3HB PHE 56 21.304 0.072 -11.859 472 HD1 PHE 56 HD1 PHE 56 20.553 -2.840 -14.058 473 HD2 PHE 56 HD2 PHE 56 20.473 -1.201 -10.131 474 HE1 PHE 56 HE1 PHE 56 19.351 -4.831 -13.255 475 HE2 PHE 56 HE2 PHE 56 19.272 -3.190 -9.321 476 HZ PHE 56 HZ PHE 56 18.710 -5.008 -10.884 477 HA PRO 57 HA PRO 57 17.496 2.601 -14.003 478 HB2 PRO 57 2HB PRO 57 15.735 1.690 -15.857 479 HB3 PRO 57 3HB PRO 57 17.125 2.701 -16.268 480 HG2 PRO 57 2HG PRO 57 16.814 -0.269 -16.481 481 HG3 PRO 57 3HG PRO 57 17.540 0.866 -17.634 482 HD2 PRO 57 2HD PRO 57 19.024 -0.660 -15.960 483 HD3 PRO 57 3HD PRO 57 19.533 0.960 -16.479 484 H ASP 58 H ASP 58 17.517 -0.750 -13.547 485 HA ASP 58 HA ASP 58 14.858 -1.335 -12.933 486 HB2 ASP 58 2HB ASP 58 16.056 -3.272 -12.954 487 HB3 ASP 58 3HB ASP 58 17.496 -2.511 -12.283 488 H VAL 59 H VAL 59 17.185 0.542 -11.231 489 HA VAL 59 HA VAL 59 15.559 0.507 -8.787 490 HB VAL 59 HB VAL 59 18.063 0.137 -8.665 491 HG11 VAL 59 1HG1 VAL 59 18.128 3.098 -9.239 492 HG12 VAL 59 2HG1 VAL 59 19.504 2.090 -8.784 493 HG13 VAL 59 3HG1 VAL 59 18.692 1.832 -10.329 494 HG21 VAL 59 3HG2 VAL 59 18.320 1.546 -6.661 495 HG22 VAL 59 1HG2 VAL 59 16.868 2.436 -7.120 496 HG23 VAL 59 2HG2 VAL 59 16.759 0.725 -6.705 497 H ASP 60 H ASP 60 14.582 2.318 -7.993 498 HA ASP 60 HA ASP 60 14.321 4.550 -9.852 499 HB2 ASP 60 2HB ASP 60 12.317 5.084 -8.773 500 HB3 ASP 60 3HB ASP 60 12.360 3.325 -8.684 501 H ILE 61 H ILE 61 14.893 6.634 -9.406 502 HA ILE 61 HA ILE 61 16.818 7.004 -7.272 503 HB ILE 61 HB ILE 61 16.960 7.915 -9.712 504 HG12 ILE 61 2HG1 ILE 61 18.299 9.858 -8.889 505 HG13 ILE 61 3HG1 ILE 61 17.643 9.580 -7.280 506 HG21 ILE 61 1HG2 ILE 61 14.684 9.091 -9.314 507 HG22 ILE 61 2HG2 ILE 61 15.657 10.321 -8.508 508 HG23 ILE 61 3HG2 ILE 61 15.949 9.938 -10.204 509 HD11 ILE 61 3HD1 ILE 61 19.388 8.269 -6.922 510 HD12 ILE 61 1HD1 ILE 61 18.654 7.118 -8.038 511 HD13 ILE 61 2HD1 ILE 61 19.838 8.286 -8.627 512 H TYR 62 H TYR 62 16.620 8.360 -5.535 513 HA TYR 62 HA TYR 62 14.067 9.768 -5.183 514 HB2 TYR 62 2HB TYR 62 14.135 7.503 -4.000 515 HB3 TYR 62 3HB TYR 62 15.356 8.208 -2.946 516 HD1 TYR 62 HD1 TYR 62 12.086 9.400 -4.326 517 HD2 TYR 62 HD2 TYR 62 14.496 8.744 -0.881 518 HE1 TYR 62 HE1 TYR 62 10.310 10.345 -2.911 519 HE2 TYR 62 HE2 TYR 62 12.726 9.686 0.543 520 HH TYR 62 HH TYR 62 9.562 10.336 -0.644 521 H LEU 63 H LEU 63 14.493 11.840 -4.870 522 HA LEU 63 HA LEU 63 16.979 12.580 -3.475 523 HB2 LEU 63 2HB LEU 63 16.184 13.331 -5.959 524 HB3 LEU 63 3HB LEU 63 15.543 14.654 -4.987 525 HG LEU 63 HG LEU 63 18.385 13.896 -4.571 526 HD11 LEU 63 1HD1 LEU 63 18.720 15.694 -6.514 527 HD12 LEU 63 2HD1 LEU 63 17.268 14.899 -7.119 528 HD13 LEU 63 3HD1 LEU 63 18.725 13.955 -6.809 529 HD21 LEU 63 3HD2 LEU 63 18.331 16.553 -4.699 530 HD22 LEU 63 1HD2 LEU 63 17.891 15.668 -3.238 531 HD23 LEU 63 2HD2 LEU 63 16.632 16.273 -4.314 532 H VAL 64 H VAL 64 16.912 13.938 -1.743 533 HA VAL 64 HA VAL 64 14.364 15.160 -0.992 534 HB VAL 64 HB VAL 64 15.937 13.483 0.963 535 HG11 VAL 64 1HG1 VAL 64 14.750 15.266 2.043 536 HG12 VAL 64 2HG1 VAL 64 13.279 14.893 1.144 537 HG13 VAL 64 3HG1 VAL 64 13.889 13.758 2.349 538 HG21 VAL 64 3HG2 VAL 64 14.160 11.839 0.817 539 HG22 VAL 64 1HG2 VAL 64 13.327 12.815 -0.393 540 HG23 VAL 64 2HG2 VAL 64 14.886 12.083 -0.772 541 H ASP 65 H ASP 65 14.565 17.056 0.108 542 HA ASP 65 HA ASP 65 17.294 18.074 0.432 543 HB2 ASP 65 2HB ASP 65 15.999 20.301 0.701 544 HB3 ASP 65 3HB ASP 65 16.091 19.571 -0.900 545 H THR 66 H THR 66 17.339 19.866 2.258 546 HA THR 66 HA THR 66 16.807 18.438 4.721 547 HB THR 66 HB THR 66 17.906 20.594 5.702 548 HG1 THR 66 HG1 THR 66 18.160 22.015 4.131 549 HG21 THR 66 3HG2 THR 66 18.950 18.339 5.529 550 HG22 THR 66 1HG2 THR 66 20.101 19.663 5.352 551 HG23 THR 66 2HG2 THR 66 19.545 18.782 3.929 552 H SER 67 H SER 67 15.585 21.218 2.994 553 HA SER 67 HA SER 67 14.133 22.358 5.155 554 HB2 SER 67 2HB SER 67 14.685 23.050 2.490 555 HB3 SER 67 3HB SER 67 12.930 22.907 2.581 556 HG SER 67 HG SER 67 14.534 24.436 4.357 557 H THR 68 H THR 68 13.600 19.653 3.134 558 HA THR 68 HA THR 68 10.724 19.619 3.480 559 HB THR 68 HB THR 68 11.126 17.206 2.486 560 HG1 THR 68 HG1 THR 68 13.449 17.407 2.713 561 HG21 THR 68 3HG2 THR 68 9.929 18.729 1.181 562 HG22 THR 68 1HG2 THR 68 11.322 18.337 0.174 563 HG23 THR 68 2HG2 THR 68 11.285 19.851 1.077 564 H ASN 69 H ASN 69 13.506 18.433 5.113 565 HA ASN 69 HA ASN 69 11.902 17.380 7.243 566 HB2 ASN 69 2HB ASN 69 12.834 15.092 7.179 567 HB3 ASN 69 3HB ASN 69 11.853 15.443 5.759 568 HD21 ASN 69 2HD2 ASN 69 14.769 13.755 4.453 569 HD22 ASN 69 1HD2 ASN 69 13.345 13.405 5.366 570 HA PRO 70 HA PRO 70 16.109 19.098 8.302 571 HB2 PRO 70 2HB PRO 70 15.187 20.937 10.073 572 HB3 PRO 70 3HB PRO 70 15.335 21.261 8.342 573 HG2 PRO 70 2HG PRO 70 12.911 20.503 9.926 574 HG3 PRO 70 3HG PRO 70 13.077 21.722 8.649 575 HD2 PRO 70 2HD PRO 70 12.015 19.272 8.197 576 HD3 PRO 70 3HD PRO 70 12.937 20.156 6.963 577 H GLU 71 H GLU 71 13.340 17.986 10.120 578 HA GLU 71 HA GLU 71 14.858 17.602 12.556 579 HB2 GLU 71 2HB GLU 71 12.018 17.267 11.730 580 HB3 GLU 71 3HB GLU 71 12.589 16.306 13.087 581 HG2 GLU 71 2HG GLU 71 13.493 18.597 13.952 582 HG3 GLU 71 3HG GLU 71 12.287 19.258 12.850 583 H ALA 72 H ALA 72 13.704 15.698 9.854 584 HA ALA 72 HA ALA 72 13.942 13.125 10.814 585 HB1 ALA 72 1HB ALA 72 14.399 12.454 8.485 586 HB2 ALA 72 2HB ALA 72 13.057 13.592 8.614 587 HB3 ALA 72 3HB ALA 72 14.637 14.151 8.065 588 H ARG 73 H ARG 73 16.471 15.344 9.807 589 HA ARG 73 HA ARG 73 18.605 13.546 9.635 590 HB2 ARG 73 2HB ARG 73 18.244 16.390 9.651 591 HB3 ARG 73 3HB ARG 73 19.594 15.976 10.699 592 HG2 ARG 73 2HG ARG 73 20.078 14.432 8.495 593 HG3 ARG 73 3HG ARG 73 19.378 15.892 7.793 594 HD2 ARG 73 2HD ARG 73 21.795 15.668 9.574 595 HD3 ARG 73 3HD ARG 73 21.733 16.216 7.899 596 HE ARG 73 HE ARG 73 20.123 17.961 9.236 597 HH11 ARG 73 1HH1 ARG 73 23.421 16.903 9.591 598 HH12 ARG 73 2HH1 ARG 73 23.968 18.405 10.258 599 HH21 ARG 73 2HH2 ARG 73 22.494 20.134 10.556 600 HH22 ARG 73 1HH2 ARG 73 20.831 19.943 10.114 601 H GLU 74 H GLU 74 17.766 15.673 12.378 602 HA GLU 74 HA GLU 74 19.594 14.614 14.192 603 HB2 GLU 74 2HB GLU 74 17.039 16.135 14.444 604 HB3 GLU 74 3HB GLU 74 17.728 15.416 15.893 605 HG2 GLU 74 2HG GLU 74 18.744 17.426 16.009 606 HG3 GLU 74 3HG GLU 74 19.914 16.611 14.973 607 H TRP 75 H TRP 75 16.554 13.383 13.091 608 HA TRP 75 HA TRP 75 15.763 11.731 15.154 609 HB2 TRP 75 2HB TRP 75 14.700 12.163 12.814 610 HB3 TRP 75 3HB TRP 75 15.648 10.766 12.313 611 HD1 TRP 75 HD1 TRP 75 13.479 11.347 15.490 612 HE1 TRP 75 HE1 TRP 75 11.856 9.361 15.705 613 HE3 TRP 75 HE3 TRP 75 14.777 8.778 11.265 614 HZ2 TRP 75 HZ2 TRP 75 11.211 7.015 14.273 615 HZ3 TRP 75 HZ3 TRP 75 13.610 6.672 10.760 616 HH2 TRP 75 HH2 TRP 75 11.864 5.810 12.234 617 H TYR 76 H TYR 76 18.274 11.201 12.737 618 HA TYR 76 HA TYR 76 19.159 8.858 14.285 619 HB2 TYR 76 2HB TYR 76 18.088 8.259 12.078 620 HB3 TYR 76 3HB TYR 76 19.408 9.112 11.285 621 HD1 TYR 76 HD1 TYR 76 21.013 7.718 10.412 622 HD2 TYR 76 HD2 TYR 76 19.106 6.601 14.048 623 HE1 TYR 76 HE1 TYR 76 22.386 5.679 10.499 624 HE2 TYR 76 HE2 TYR 76 20.474 4.560 14.145 625 HH TYR 76 HH TYR 76 21.722 3.106 12.606 626 H ASN 77 H ASN 77 19.887 11.874 13.842 627 HA ASN 77 HA ASN 77 21.766 13.163 13.771 628 HB2 ASN 77 2HB ASN 77 22.339 12.129 15.824 629 HB3 ASN 77 3HB ASN 77 22.784 10.621 15.031 630 HD21 ASN 77 2HD2 ASN 77 25.356 13.801 14.806 631 HD22 ASN 77 1HD2 ASN 77 23.650 14.061 14.882 632 H ILE 78 H ILE 78 21.968 13.426 11.548 633 HA ILE 78 HA ILE 78 23.658 11.530 10.095 634 HB ILE 78 HB ILE 78 21.782 13.701 9.241 635 HG12 ILE 78 2HG1 ILE 78 21.000 11.359 9.524 636 HG13 ILE 78 3HG1 ILE 78 20.838 11.937 7.869 637 HG21 ILE 78 1HG2 ILE 78 24.145 12.668 7.732 638 HG22 ILE 78 2HG2 ILE 78 22.678 13.128 6.869 639 HG23 ILE 78 3HG2 ILE 78 23.528 14.315 7.858 640 HD11 ILE 78 3HD1 ILE 78 22.151 9.624 8.805 641 HD12 ILE 78 1HD1 ILE 78 22.006 10.210 7.148 642 HD13 ILE 78 2HD1 ILE 78 23.379 10.702 8.141 643 H THR 79 H THR 79 25.766 11.895 10.039 644 HA THR 79 HA THR 79 26.809 14.566 10.542 645 HB THR 79 HB THR 79 29.054 13.348 10.421 646 HG1 THR 79 HG1 THR 79 28.625 10.984 10.899 647 HG21 THR 79 3HG2 THR 79 26.935 13.009 12.473 648 HG22 THR 79 1HG2 THR 79 28.506 13.800 12.591 649 HG23 THR 79 2HG2 THR 79 28.398 12.041 12.646 650 H SER 80 H SER 80 26.652 12.185 7.962 651 HA SER 80 HA SER 80 28.047 14.063 6.176 652 HB2 SER 80 2HB SER 80 27.718 11.611 4.840 653 HB3 SER 80 3HB SER 80 29.207 12.257 5.529 654 HG SER 80 HG SER 80 28.912 10.318 6.504 655 H VAL 81 H VAL 81 26.452 15.380 5.443 656 HA VAL 81 HA VAL 81 23.826 14.969 4.988 657 HB VAL 81 HB VAL 81 24.886 16.346 2.680 658 HG11 VAL 81 1HG1 VAL 81 22.670 16.651 3.803 659 HG12 VAL 81 2HG1 VAL 81 23.519 17.458 5.124 660 HG13 VAL 81 3HG1 VAL 81 23.553 18.147 3.500 661 HG21 VAL 81 3HG2 VAL 81 25.970 17.210 5.361 662 HG22 VAL 81 1HG2 VAL 81 26.914 16.553 4.023 663 HG23 VAL 81 2HG2 VAL 81 26.108 18.112 3.852 664 HA PRO 82 HA PRO 82 24.586 13.144 0.577 665 HB2 PRO 82 2HB PRO 82 27.135 12.462 -0.064 666 HB3 PRO 82 3HB PRO 82 26.463 14.068 -0.374 667 HG2 PRO 82 2HG PRO 82 28.214 13.148 1.873 668 HG3 PRO 82 3HG PRO 82 28.306 14.643 0.923 669 HD2 PRO 82 2HD PRO 82 27.206 14.554 3.396 670 HD3 PRO 82 3HD PRO 82 26.633 15.665 2.135 671 H THR 83 H THR 83 23.607 11.584 2.199 672 HA THR 83 HA THR 83 25.320 9.232 2.623 673 HB THR 83 HB THR 83 22.821 8.841 3.887 674 HG1 THR 83 HG1 THR 83 23.961 11.364 4.564 675 HG21 THR 83 3HG2 THR 83 25.451 9.667 5.117 676 HG22 THR 83 1HG2 THR 83 25.060 8.027 4.601 677 HG23 THR 83 2HG2 THR 83 24.144 8.784 5.905 678 H PHE 84 H PHE 84 24.217 7.096 2.400 679 HA PHE 84 HA PHE 84 22.211 7.112 0.248 680 HB2 PHE 84 2HB PHE 84 24.884 5.832 0.307 681 HB3 PHE 84 3HB PHE 84 23.570 4.861 -0.349 682 HD1 PHE 84 HD1 PHE 84 22.396 5.560 -2.371 683 HD2 PHE 84 HD2 PHE 84 25.706 7.760 -0.848 684 HE1 PHE 84 HE1 PHE 84 22.607 6.727 -4.526 685 HE2 PHE 84 HE2 PHE 84 25.922 8.932 -3.001 686 HZ PHE 84 HZ PHE 84 24.371 8.417 -4.843 687 H VAL 85 H VAL 85 20.424 6.222 1.026 688 HA VAL 85 HA VAL 85 20.674 3.951 2.890 689 HB VAL 85 HB VAL 85 18.195 5.627 2.644 690 HG11 VAL 85 1HG1 VAL 85 18.393 3.346 3.858 691 HG12 VAL 85 2HG1 VAL 85 19.226 4.275 5.105 692 HG13 VAL 85 3HG1 VAL 85 17.568 4.680 4.662 693 HG21 VAL 85 3HG2 VAL 85 20.766 6.377 3.858 694 HG22 VAL 85 1HG2 VAL 85 19.424 7.388 3.319 695 HG23 VAL 85 2HG2 VAL 85 19.354 6.595 4.893 696 H ILE 86 H ILE 86 19.806 2.050 2.332 697 HA ILE 86 HA ILE 86 18.251 1.943 -0.163 698 HB ILE 86 HB ILE 86 19.472 -0.494 1.058 699 HG12 ILE 86 2HG1 ILE 86 20.970 1.535 -0.615 700 HG13 ILE 86 3HG1 ILE 86 21.278 1.168 1.079 701 HG21 ILE 86 1HG2 ILE 86 18.135 0.189 -1.351 702 HG22 ILE 86 2HG2 ILE 86 19.783 -0.293 -1.753 703 HG23 ILE 86 3HG2 ILE 86 18.744 -1.385 -0.837 704 HD11 ILE 86 3HD1 ILE 86 22.883 -0.119 0.154 705 HD12 ILE 86 1HD1 ILE 86 21.557 -1.279 0.078 706 HD13 ILE 86 2HD1 ILE 86 21.994 -0.344 -1.352 707 H GLU 87 H GLU 87 16.202 1.268 -0.130 708 HA GLU 87 HA GLU 87 15.245 -0.289 2.163 709 HB2 GLU 87 2HB GLU 87 13.198 1.105 2.265 710 HB3 GLU 87 3HB GLU 87 14.654 1.994 2.692 711 HG2 GLU 87 2HG GLU 87 13.527 3.482 1.343 712 HG3 GLU 87 3HG GLU 87 14.659 2.729 0.222 713 H LYS 88 H LYS 88 13.671 -1.771 1.701 714 HA LYS 88 HA LYS 88 12.828 -1.946 -1.119 715 HB2 LYS 88 2HB LYS 88 14.422 -3.714 -0.547 716 HB3 LYS 88 3HB LYS 88 13.414 -4.202 0.809 717 HG2 LYS 88 2HG LYS 88 11.696 -4.292 -1.356 718 HG3 LYS 88 3HG LYS 88 13.224 -4.905 -1.993 719 HD2 LYS 88 2HD LYS 88 13.330 -6.592 -0.299 720 HD3 LYS 88 3HD LYS 88 11.953 -5.894 0.556 721 HE2 LYS 88 2HE LYS 88 11.734 -6.887 -2.270 722 HE3 LYS 88 3HE LYS 88 11.532 -7.963 -0.889 723 HZ1 LYS 88 3HZ LYS 88 9.672 -6.736 -0.149 724 HZ2 LYS 88 1HZ LYS 88 9.439 -6.979 -1.807 725 HZ3 LYS 88 2HZ LYS 88 9.961 -5.474 -1.238 726 H GLY 89 H GLY 89 11.037 -0.560 -0.223 727 HA2 GLY 89 2HA GLY 89 8.899 -0.294 0.598 728 HA3 GLY 89 3HA GLY 89 8.644 -1.868 -0.140 729 H GLY 90 H GLY 90 10.663 -1.037 2.655 730 HA2 GLY 90 2HA GLY 90 8.778 -2.045 4.563 731 HA3 GLY 90 3HA GLY 90 10.045 -3.210 4.210 732 H GLU 91 H GLU 91 12.139 -2.833 4.917 733 HA GLU 91 HA GLU 91 12.538 -0.448 6.591 734 HB2 GLU 91 2HB GLU 91 13.977 -2.198 7.996 735 HB3 GLU 91 3HB GLU 91 12.275 -1.906 8.323 736 HG2 GLU 91 2HG GLU 91 11.614 -3.885 7.264 737 HG3 GLU 91 3HG GLU 91 13.170 -4.075 6.460 738 HA PRO 92 HA PRO 92 16.471 0.009 4.707 739 HB2 PRO 92 2HB PRO 92 18.051 0.772 6.779 740 HB3 PRO 92 3HB PRO 92 16.820 1.824 6.071 741 HG2 PRO 92 2HG PRO 92 16.685 0.152 8.550 742 HG3 PRO 92 3HG PRO 92 16.117 1.811 8.288 743 HD2 PRO 92 2HD PRO 92 14.449 -0.322 8.256 744 HD3 PRO 92 3HD PRO 92 14.178 1.117 7.252 745 H LEU 93 H LEU 93 17.544 -1.712 3.955 746 HA LEU 93 HA LEU 93 18.525 -3.739 5.820 747 HB2 LEU 93 2HB LEU 93 17.209 -4.353 3.774 748 HB3 LEU 93 3HB LEU 93 18.574 -3.793 2.809 749 HG LEU 93 HG LEU 93 19.982 -5.537 3.733 750 HD11 LEU 93 1HD1 LEU 93 19.047 -5.664 5.967 751 HD12 LEU 93 2HD1 LEU 93 19.042 -7.257 5.211 752 HD13 LEU 93 3HD1 LEU 93 17.546 -6.331 5.324 753 HD21 LEU 93 3HD2 LEU 93 17.943 -7.394 3.113 754 HD22 LEU 93 1HD2 LEU 93 19.228 -6.790 2.067 755 HD23 LEU 93 2HD2 LEU 93 17.671 -5.962 2.120 756 H GLY 94 H GLY 94 19.665 -1.461 3.377 757 HA2 GLY 94 2HA GLY 94 22.403 -1.895 4.395 758 HA3 GLY 94 3HA GLY 94 22.083 -1.726 2.675 759 H GLU 95 H GLU 95 23.836 -0.095 4.240 760 HA GLU 95 HA GLU 95 22.947 2.470 3.388 761 HB2 GLU 95 2HB GLU 95 22.635 3.580 5.455 762 HB3 GLU 95 3HB GLU 95 21.665 2.117 5.548 763 HG2 GLU 95 2HG GLU 95 23.467 1.039 6.836 764 HG3 GLU 95 3HG GLU 95 24.366 2.555 6.800 765 H VAL 96 H VAL 96 24.605 3.972 3.333 766 HA VAL 96 HA VAL 96 27.178 3.195 4.509 767 HB VAL 96 HB VAL 96 26.832 4.037 1.627 768 HG11 VAL 96 1HG1 VAL 96 29.361 3.195 1.765 769 HG12 VAL 96 2HG1 VAL 96 28.899 4.874 2.051 770 HG13 VAL 96 3HG1 VAL 96 29.179 3.791 3.415 771 HG21 VAL 96 3HG2 VAL 96 27.713 1.767 1.134 772 HG22 VAL 96 1HG2 VAL 96 27.579 1.384 2.851 773 HG23 VAL 96 2HG2 VAL 96 26.131 1.752 1.914 774 H LYS 97 H LYS 97 28.577 4.902 4.965 775 HA LYS 97 HA LYS 97 27.394 7.589 4.702 776 HB2 LYS 97 2HB LYS 97 29.272 6.760 6.906 777 HB3 LYS 97 3HB LYS 97 28.247 8.186 6.831 778 HG2 LYS 97 2HG LYS 97 26.763 7.074 8.040 779 HG3 LYS 97 3HG LYS 97 26.488 6.040 6.636 780 HD2 LYS 97 2HD LYS 97 28.770 4.974 7.716 781 HD3 LYS 97 3HD LYS 97 27.872 5.473 9.151 782 HE2 LYS 97 2HE LYS 97 26.859 3.699 6.931 783 HE3 LYS 97 3HE LYS 97 27.328 3.180 8.549 784 HZ1 LYS 97 3HZ LYS 97 25.545 4.832 9.317 785 HZ2 LYS 97 1HZ LYS 97 25.037 3.352 8.673 786 HZ3 LYS 97 2HZ LYS 97 24.972 4.752 7.727 787 H GLY 98 H GLY 98 28.485 8.152 2.825 788 HA2 GLY 98 2HA GLY 98 30.748 9.556 2.837 789 HA3 GLY 98 3HA GLY 98 31.387 7.921 2.745 790 HA PRO 99 HA PRO 99 29.960 9.710 -1.474 791 HB2 PRO 99 2HB PRO 99 32.307 10.731 -2.379 792 HB3 PRO 99 3HB PRO 99 31.122 11.692 -1.487 793 HG2 PRO 99 2HG PRO 99 33.627 10.381 -0.502 794 HG3 PRO 99 3HG PRO 99 32.991 11.996 -0.136 795 HD2 PRO 99 2HD PRO 99 32.711 9.902 1.558 796 HD3 PRO 99 3HD PRO 99 31.499 11.192 1.426 797 H ASP 100 H ASP 100 29.778 7.571 -2.123 798 HA ASP 100 HA ASP 100 32.154 6.477 -3.431 799 HB2 ASP 100 2HB ASP 100 31.750 4.238 -2.546 800 HB3 ASP 100 3HB ASP 100 32.022 5.375 -1.228 801 H ILE 101 H ILE 101 30.389 7.705 -4.911 802 HA ILE 101 HA ILE 101 28.073 6.372 -5.708 803 HB ILE 101 HB ILE 101 29.916 8.178 -7.267 804 HG12 ILE 101 2HG1 ILE 101 28.714 9.162 -5.333 805 HG13 ILE 101 3HG1 ILE 101 28.207 9.859 -6.867 806 HG21 ILE 101 1HG2 ILE 101 27.542 6.655 -8.129 807 HG22 ILE 101 2HG2 ILE 101 27.595 8.350 -8.610 808 HG23 ILE 101 3HG2 ILE 101 28.906 7.263 -9.068 809 HD11 ILE 101 3HD1 ILE 101 26.727 7.829 -5.217 810 HD12 ILE 101 1HD1 ILE 101 26.280 9.510 -5.505 811 HD13 ILE 101 2HD1 ILE 101 26.240 8.347 -6.831 812 H ASP 102 H ASP 102 31.413 5.762 -6.459 813 HA ASP 102 HA ASP 102 30.865 4.038 -8.698 814 HB2 ASP 102 2HB ASP 102 33.211 5.154 -7.395 815 HB3 ASP 102 3HB ASP 102 33.433 3.451 -7.785 816 H LYS 103 H LYS 103 31.865 3.575 -5.321 817 HA LYS 103 HA LYS 103 31.884 0.735 -5.461 818 HB2 LYS 103 2HB LYS 103 32.814 2.561 -3.668 819 HB3 LYS 103 3HB LYS 103 31.385 1.971 -2.829 820 HG2 LYS 103 2HG LYS 103 32.253 -0.104 -2.514 821 HG3 LYS 103 3HG LYS 103 33.213 -0.049 -3.995 822 HD2 LYS 103 2HD LYS 103 33.869 1.720 -1.664 823 HD3 LYS 103 3HD LYS 103 34.432 0.048 -1.721 824 HE2 LYS 103 2HE LYS 103 35.758 0.432 -3.597 825 HE3 LYS 103 3HE LYS 103 34.881 1.897 -4.035 826 HZ1 LYS 103 3HZ LYS 103 37.114 2.301 -3.078 827 HZ2 LYS 103 1HZ LYS 103 36.578 1.645 -1.614 828 HZ3 LYS 103 2HZ LYS 103 35.868 3.056 -2.218 829 H LEU 104 H LEU 104 29.391 3.051 -5.179 830 HA LEU 104 HA LEU 104 27.475 1.684 -3.678 831 HB2 LEU 104 2HB LEU 104 27.266 4.026 -4.356 832 HB3 LEU 104 3HB LEU 104 27.059 3.522 -6.032 833 HG LEU 104 HG LEU 104 25.043 2.167 -4.768 834 HD11 LEU 104 1HD1 LEU 104 25.400 4.836 -3.420 835 HD12 LEU 104 2HD1 LEU 104 25.354 3.246 -2.659 836 HD13 LEU 104 3HD1 LEU 104 23.899 3.909 -3.403 837 HD21 LEU 104 3HD2 LEU 104 24.414 4.902 -5.684 838 HD22 LEU 104 1HD2 LEU 104 23.722 3.353 -6.165 839 HD23 LEU 104 2HD2 LEU 104 25.273 3.869 -6.827 840 H ARG 105 H ARG 105 28.639 1.136 -6.883 841 HA ARG 105 HA ARG 105 26.409 -0.329 -7.867 842 HB2 ARG 105 2HB ARG 105 29.142 0.281 -8.746 843 HB3 ARG 105 3HB ARG 105 28.563 -1.296 -9.267 844 HG2 ARG 105 2HG ARG 105 26.562 -0.194 -10.224 845 HG3 ARG 105 3HG ARG 105 27.265 1.367 -9.796 846 HD2 ARG 105 2HD ARG 105 28.287 -0.661 -11.766 847 HD3 ARG 105 3HD ARG 105 27.796 1.005 -12.071 848 HE ARG 105 HE ARG 105 30.352 0.095 -11.123 849 HH11 ARG 105 1HH1 ARG 105 28.128 2.772 -11.235 850 HH12 ARG 105 2HH1 ARG 105 29.358 3.972 -11.006 851 HH21 ARG 105 2HH2 ARG 105 31.548 3.341 -10.772 852 HH22 ARG 105 1HH2 ARG 105 31.979 1.665 -10.822 853 H GLU 106 H GLU 106 29.230 -1.150 -5.974 854 HA GLU 106 HA GLU 106 28.617 -4.002 -6.152 855 HB2 GLU 106 2HB GLU 106 30.730 -4.365 -5.025 856 HB3 GLU 106 3HB GLU 106 30.967 -3.268 -6.378 857 HG2 GLU 106 2HG GLU 106 31.250 -1.418 -4.986 858 HG3 GLU 106 3HG GLU 106 30.534 -2.239 -3.600 859 H THR 107 H THR 107 28.264 -1.301 -4.040 860 HA THR 107 HA THR 107 27.890 -2.837 -1.637 861 HB THR 107 HB THR 107 26.944 -0.006 -2.008 862 HG1 THR 107 HG1 THR 107 29.028 0.698 -1.678 863 HG21 THR 107 3HG2 THR 107 28.187 -0.239 0.426 864 HG22 THR 107 1HG2 THR 107 27.454 -1.830 0.223 865 HG23 THR 107 2HG2 THR 107 26.451 -0.381 0.151 866 H LEU 108 H LEU 108 25.866 -1.562 -4.180 867 HA LEU 108 HA LEU 108 23.412 -2.084 -2.733 868 HB2 LEU 108 2HB LEU 108 22.362 -0.889 -4.335 869 HB3 LEU 108 3HB LEU 108 23.994 -0.276 -4.597 870 HG LEU 108 HG LEU 108 24.062 -2.291 -6.328 871 HD11 LEU 108 1HD1 LEU 108 21.734 -2.174 -7.475 872 HD12 LEU 108 2HD1 LEU 108 21.163 -1.735 -5.865 873 HD13 LEU 108 3HD1 LEU 108 21.986 -3.275 -6.120 874 HD21 LEU 108 3HD2 LEU 108 23.492 0.532 -6.449 875 HD22 LEU 108 1HD2 LEU 108 22.696 -0.330 -7.766 876 HD23 LEU 108 2HD2 LEU 108 24.440 -0.472 -7.547 877 H ASP 109 H ASP 109 25.493 -3.709 -4.952 878 HA ASP 109 HA ASP 109 23.559 -5.588 -5.915 879 HB2 ASP 109 2HB ASP 109 25.307 -5.443 -7.401 880 HB3 ASP 109 3HB ASP 109 26.512 -5.250 -6.131 881 H GLU 110 H GLU 110 26.203 -5.752 -3.540 882 HA GLU 110 HA GLU 110 25.907 -8.397 -2.764 883 HB2 GLU 110 2HB GLU 110 26.665 -6.063 -0.998 884 HB3 GLU 110 3HB GLU 110 27.000 -7.757 -0.670 885 HG2 GLU 110 2HG GLU 110 27.996 -6.652 -3.227 886 HG3 GLU 110 3HG GLU 110 28.789 -6.118 -1.747 887 H LEU 111 H LEU 111 23.888 -5.677 -2.114 888 HA LEU 111 HA LEU 111 22.454 -7.092 0.007 889 HB2 LEU 111 2HB LEU 111 22.780 -4.880 0.628 890 HB3 LEU 111 3HB LEU 111 22.473 -4.276 -0.999 891 HG LEU 111 HG LEU 111 20.209 -5.551 0.437 892 HD11 LEU 111 1HD1 LEU 111 20.001 -2.912 1.179 893 HD12 LEU 111 2HD1 LEU 111 21.698 -3.282 1.484 894 HD13 LEU 111 3HD1 LEU 111 20.435 -4.255 2.236 895 HD21 LEU 111 3HD2 LEU 111 19.535 -4.806 -1.619 896 HD22 LEU 111 1HD2 LEU 111 20.666 -3.452 -1.623 897 HD23 LEU 111 2HD2 LEU 111 19.199 -3.373 -0.647 898 H LEU 112 H LEU 112 21.804 -5.527 -3.122 899 HA LEU 112 HA LEU 112 19.108 -6.260 -3.321 900 HB2 LEU 112 2HB LEU 112 20.392 -4.593 -4.730 901 HB3 LEU 112 3HB LEU 112 20.998 -5.973 -5.644 902 HG LEU 112 HG LEU 112 18.742 -6.524 -6.356 903 HD11 LEU 112 1HD1 LEU 112 17.050 -4.548 -5.830 904 HD12 LEU 112 2HD1 LEU 112 18.030 -4.443 -4.368 905 HD13 LEU 112 3HD1 LEU 112 17.214 -5.952 -4.775 906 HD21 LEU 112 3HD2 LEU 112 19.607 -5.167 -7.964 907 HD22 LEU 112 1HD2 LEU 112 19.890 -3.832 -6.845 908 HD23 LEU 112 2HD2 LEU 112 18.262 -4.150 -7.445 909 H ALA 113 H ALA 113 21.973 -8.113 -3.670 910 HA ALA 113 HA ALA 113 20.809 -10.184 -5.299 911 HB1 ALA 113 1HB ALA 113 23.376 -10.139 -3.716 912 HB2 ALA 113 2HB ALA 113 22.901 -11.395 -4.860 913 HB3 ALA 113 3HB ALA 113 23.193 -9.751 -5.427 914 H ARG 114 H ARG 114 21.157 -9.508 -1.902 915 HA ARG 114 HA ARG 114 20.857 -12.038 -0.801 916 HB2 ARG 114 2HB ARG 114 21.376 -10.069 0.544 917 HB3 ARG 114 3HB ARG 114 19.783 -9.402 0.216 918 HG2 ARG 114 2HG ARG 114 19.910 -12.088 1.461 919 HG3 ARG 114 3HG ARG 114 20.346 -10.696 2.455 920 HD2 ARG 114 2HD ARG 114 18.080 -9.793 1.280 921 HD3 ARG 114 3HD ARG 114 17.732 -11.519 1.382 922 HE ARG 114 HE ARG 114 17.748 -9.664 3.526 923 HH11 ARG 114 1HH1 ARG 114 18.545 -12.956 2.722 924 HH12 ARG 114 2HH1 ARG 114 18.310 -13.544 4.334 925 HH21 ARG 114 2HH2 ARG 114 17.678 -12.105 6.001 926 HH22 ARG 114 1HH2 ARG 114 17.436 -10.426 5.653 927 H LEU 115 H LEU 115 18.254 -9.657 -1.350 928 HA LEU 115 HA LEU 115 16.156 -11.461 -0.809 929 HB2 LEU 115 2HB LEU 115 14.691 -9.784 -1.724 930 HB3 LEU 115 3HB LEU 115 15.923 -9.020 -0.721 931 HG LEU 115 HG LEU 115 17.082 -8.782 -3.140 932 HD11 LEU 115 1HD1 LEU 115 15.612 -8.487 -4.882 933 HD12 LEU 115 2HD1 LEU 115 14.233 -8.214 -3.817 934 HD13 LEU 115 3HD1 LEU 115 14.870 -9.844 -4.033 935 HD21 LEU 115 3HD2 LEU 115 15.266 -7.043 -1.551 936 HD22 LEU 115 1HD2 LEU 115 15.768 -6.495 -3.151 937 HD23 LEU 115 2HD2 LEU 115 16.981 -6.852 -1.921 938 H GLU 116 H GLU 116 17.993 -10.773 -3.682 939 HA GLU 116 HA GLU 116 16.253 -12.587 -5.218 940 HB2 GLU 116 2HB GLU 116 17.019 -10.041 -5.878 941 HB3 GLU 116 3HB GLU 116 18.221 -11.008 -6.721 942 HG2 GLU 116 2HG GLU 116 15.935 -12.325 -7.361 943 HG3 GLU 116 3HG GLU 116 15.366 -10.660 -7.257
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